## comm pH 6.75 0.1 n/a ## comm temperature 298 1 K ## comm .... HA:4.530 HB:1.999,1.999 CA:55.90 CB:33.29 CO:175.81 #1 M N:115.78 HN:8.264 HA:4.410 HB:4.263 CA:62.34 CB:70.01 CO:174.11 #2 T N:116.26 HN:8.112 HA:4.345 HB:4.214 CA:62.28 CB:70.07 CO:173.77 #3 T N:123.73 HN:8.340 HA:4.311 HB:1.935,1.935 CA:56.77 CB:30.90 CO:175.51 #4 E N:123.64 HN:8.183 HA:4.086 HB:1.763 CA:61.02 CB:39.09 CO:175.14 #5 I N:128.26 HN:8.352 HA:4.281 HB:1.692,1.692 CA:55.88 CB:32.87 CO:175.19 #6 K N:123.97 HN:8.145 HA:3.616 HB:1.352,1.352 CA:55.85 CB:33.85 CO:177.11 #7 K N:127.21 HN:10.376 HA:4.177 HB:1.870,1.426 CA:56.14 CB:43.48 CO:175.80 #8 L N:122.55 HN:8.034 HA:4.657 HB:2.675,2.675 CA:52.36 CB:40.66 #9 D N:113.66 HN:7.935 HA:4.280 HB:2.588,2.588 CA:57.86 CB:40.11 CO:174.12 #11 D N:117.81 HN:7.641 HA:4.010 HB:4.113 CA:66.62 CB:68.30 CO:175.60 #12 T N:122.86 HN:8.086 HA:3.816 HB:1.395 CA:55.88 CB:18.26 CO:177.83 #13 A N:117.14 HN:8.303 HA:3.526 HB:1.940 CA:66.20 CB:38.46 CO:176.26 #14 I N:120.09 HN:7.495 HA:4.423 HB:2.839,2.761 CA:57.80 CB:40.67 CO:178.73 #15 D N:119.45 HN:8.092 HA:3.686 HB:1.723 CA:65.08 CB:39.03 CO:177.66 #16 I N:120.15 HN:8.095 HA:3.020 HB:0.894 CA:54.96 CB:18.62 CO:177.88 #17 A N:116.69 HN:8.563 HA:4.081 HB:3.108,3.108 CA:61.59 CB:38.45 CO:176.09 #18 Y N:117.52 HN:7.549 HA:4.300 HB:2.601,2.787 CA:57.71 CB:40.91 CO:179.21 #19 D N:120.12 HN:7.584 HA:3.617 HB:1.414 CA:65.61 CB:37.48 CO:177.67 #20 I N:121.50 HN:8.707 HA:4.066 HB:3.409,3.231 CA:63.59 CB:39.47 CO:176.10 #21 F N:116.88 HN:8.343 HA:3.678 HB:1.736,1.273 CA:57.67 CB:41.88 CO:179.69 #22 L N:118.42 HN:7.494 HA:4.078 HB:2.118,2.118 CA:59.02 CB:30.14 CO:178.03 #23 E N:114.04 HN:8.185 HA:4.507 HB:2.174,2.174 CA:57.20 CB:36.40 CO:177.87 #24 M N:125.56 HN:8.775 HA:3.121 HB:0.348 CA:56.63 CB:17.35 CO:178.74 #25 A N:101.76 HN:8.553 HA:3.631,3.519 CA:46.58 CO:174.81 #26 G N:116.16 HN:7.061 HA:4.308 HB:1.983,1.683 CA:55.92 CB:31.31 CO:175.77 #27 E N:115.97 HN:6.932 HA:4.366 HB:0.604,0.143 CA:54.95 CB:41.27 CO:172.86 #28 N N:119.25 HN:7.490 HA:4.585 HB:1.493,1.383 CA:53.67 CB:43.75 CO:175.59 #29 L N:123.98 HN:9.686 HA:4.698 HB:2.818,2.683 CA:53.59 CB:42.60 #30 D N:120.66 HN:9.251 HA:4.192 HB:1.460 CA:55.61 CB:18.81 CO:180.49 #32 A N:118.84 HN:7.710 HA:4.977 HB:2.851,2.567 CA:57.64 CB:42.07 CO:177.58 #33 D N:121.88 HN:7.766 HA:3.668 HB:1.889 CA:64.21 CB:37.43 CO:177.27 #34 I N:120.37 HN:7.726 HA:4.199 HB:1.771,1.724 CA:58.79 CB:41.81 CO:178.29 #35 L N:119.09 HN:7.550 HA:4.183 HB:2.068,2.068 CA:58.82 CB:42.46 CO:178.62 #36 L N:120.17 HN:8.672 HA:4.013 HB:3.244,2.741 CA:62.29 CB:38.98 CO:177.01 #37 F N:118.67 HN:8.846 HA:4.392 HB:3.081,2.844 CA:56.42 CB:38.35 CO:177.90 #38 N N:118.97 HN:8.497 HA:4.370 HB:1.995,1.662 CA:57.30 CB:43.65 CO:177.37 #39 L N:114.47 HN:8.270 HA:4.729 HB:2.426,2.346 CA:57.17 CB:34.35 #40 Q N:123.39 HN:8.666 HA:3.673 HB:2.511,2.765 CA:62.82 CB:39.38 CO:177.30 #41 F N:118.12 HN:8.666 HA:3.941 HB:2.015,2.015 CA:59.69 CB:29.16 #42 E N:116.42 HN:7.609 HA:4.261 HB:2.040,2.040 CA:57.98 CB:30.28 CO:179.37 #43 E N:114.49 HN:8.316 HA:4.744 HB:2.024,1.917 CA:55.42 CB:31.36 CO:173.93 #44 R N:109.93 HN:7.896 HA:2.626,4.185 CA:45.36 CO:173.19 #45 G N:109.04 HN:8.750 HA:4.311,3.573 CA:45.29 #46 G N:120.96 HN:7.896 HA:5.151 HB:2.003 CA:61.73 CB:33.58 CO:174.65 #47 V N:125.27 HN:9.274 HA:4.837 HB:1.883,1.666 CA:54.99 CB:33.90 CO:173.53 #48 E N:127.41 HN:8.763 HA:4.901 HB:3.156,2.852 CA:57.76 CB:40.69 CO:174.01 #49 F N:124.57 HN:7.956 HA:4.324 HB:1.556 CA:59.01 CB:35.08 CO:173.44 #50 V N:120.15 HN:7.887 HA:4.048 HB:1.924,1.822 CA:57.00 CB:29.82 CO:175.75 #51 E N:122.41 HN:8.366 HA:4.575 HB:4.186 CA:63.07 CB:69.02 CO:174.55 #52 T N:133.58 HN:9.581 HA:4.352 HB:1.681 CA:52.94 CB:20.79 CO:177.18 #53 A N:115.95 HN:8.174 HA:4.765 HB:2.930,2.739 CA:54.53 CB:42.03 CO:177.33 #54 D N:118.52 HN:8.028 HA:4.892 HB:2.905,2.445 CA:53.41 CB:40.21 CO:177.27 #55 D N:120.14 HN:8.389 HA:4.056 HB:3.145,2.925 CA:61.74 CB:28.82 CO:177.99 #56 W N:121.49 HN:8.952 HA:4.025 HB:1.923,1.923 CA:59.86 CB:29.63 CO:178.61 #57 E N:118.07 HN:7.860 HA:3.973 HB:2.019,2.019 CA:58.75 CB:29.74 CO:177.01 #58 E N:116.63 HN:7.567 HA:4.340 HB:1.888,1.888 CA:58.14 CB:31.26 CO:177.70 #59 E N:110.21 HN:8.236 HA:4.596 HB:2.060 CA:61.61 CB:39.93 CO:177.03 #60 I N:110.55 HN:8.200 HA:4.074,3.878 CA:46.60 CO:173.00 #61 G N:116.01 HN:6.826 HA:4.275 HB:1.678 CA:59.82 CB:35.23 CO:172.68 #62 V N:124.12 HN:8.020 HA:4.112 HB:1.584,1.509 CA:55.79 CB:41.65 CO:175.77 #63 L N:125.62 HN:7.932 HA:4.240 HB:1.832 CA:57.77 CB:39.66 CO:174.70 #64 I N:129.04 HN:8.784 HA:5.080 HB:3.006,2.645 CA:50.60 CB:41.94 #65 D N:114.32 HN:8.354 HA:4.253 HB:2.158,2.051 CA:57.68 CB:30.20 CO:177.43 #67 E N:114.61 HN:8.297 HA:4.357 HB:2.002,2.225 CA:57.23 CB:31.45 CO:175.83 #68 E N:118.15 HN:7.440 HA:4.518 HB:2.592,2.233 CA:57.26 CB:44.09 CO:172.89 #69 Y N:124.56 HN:8.862 HA:4.749 HB:1.296 CA:50.03 CB:21.98 CO:174.46 #70 A N:125.52 HN:8.311 HA:5.732 HB:2.080,1.756 CA:55.07 CB:32.53 CO:173.78 #71 E N:123.04 HN:8.811 HA:5.163 HB:1.657 CA:59.80 CB:37.40 CO:174.83 #72 V N:128.75 HN:9.630 HA:5.997 HB:3.314,3.314 CA:54.39 CB:33.68 CO:174.86 #73 W N:121.56 HN:9.063 HA:5.042 HB:1.845 CA:61.15 CB:34.71 CO:175.82 #74 V N:115.46 HN:9.104 HA:4.755,4.314 CA:48.01 CO:169.71 #75 G N:118.87 HN:8.697 HA:5.114 HB:1.846,1.357 CA:53.17 CB:43.97 CO:175.48 #76 L N:117.67 HN:8.801 HA:4.791 HB:1.848 CA:60.67 CB:34.03 CO:176.43 #77 V N:124.43 HN:8.686 HA:4.853 HB:3.488,3.163 CA:51.38 CB:39.21 CO:177.14 #78 N N:117.24 HN:8.838 HA:4.155 HB:2.111,2.039 CA:59.23 CB:29.33 CO:176.52 #79 E N:118.39 HN:7.881 HA:4.443 HB:2.321,1.932 CA:55.79 CB:28.10 CO:174.26 #80 Q N:114.83 HN:8.192 HA:4.149 HB:2.990,2.768 CA:56.39 CB:39.57 CO:177.96 #81 D N:117.78 HN:7.645 HA:4.478 HB:1.886,1.886 CA:54.44 CB:31.44 CO:175.36 #82 E N:125.55 HN:9.118 HA:4.710 HB:1.995,1.995 CA:56.28 CB:32.13 CO:174.19 #83 M N:127.61 HN:8.562 HA:4.643 HB:2.799,2.440 CA:54.18 CB:42.03 CO:175.31 #84 D N:121.31 HN:7.423 HA:4.742 HB:2.289,2.608 CA:53.70 CB:42.03 CO:173.86 #85 D N:124.68 HN:8.180 HA:3.989 HB:1.703 CA:62.96 CB:32.69 CO:175.85 #86 V N:127.79 HN:9.523 HA:4.711 HB:3.458,3.035 CA:59.64 CB:40.72 CO:174.88 #87 F N:117.81 HN:8.025 HA:4.816 HB:0.902 CA:52.08 CB:24.06 CO:174.06 #88 A N:118.68 HN:7.973 HA:5.132 HB:1.571,1.571 CA:55.22 CB:36.40 CO:173.45 #89 K N:119.80 HN:9.858 HA:5.210 HB:3.059,2.750 CA:57.39 CB:43.20 CO:174.38 #90 F N:120.46 HN:8.811 HA:5.333 HB:0.781,0.691 CA:53.33 CB:44.44 CO:176.53 #91 L N:122.54 HN:9.310 HA:4.761 HB:1.543 CA:59.75 CB:42.28 CO:175.65 #92 I N:123.85 HN:9.046 HA:3.812 HB:4.038,3.768 CA:59.15 CB:63.51 CO:173.91 #93 S N:122.87 HN:7.770 HA:4.360 HB:2.732,3.213 CA:59.76 CB:31.44 CO:178.21 #94 H N:118.74 HN:8.488 HA:4.066 HB:1.799,1.651 CA:56.96 CB:30.16 #95 R N:124.89 HN:8.340 HA:3.940 HB:1.991,1.991 CA:58.26 CB:31.69 CO:177.02 #96 E N:121.46 HN:8.272 HA:4.069 HB:1.899,1.781 CA:57.40 CB:29.29 CO:175.65 #97 E N:123.19 HN:8.877 HA:4.284 HB:2.751,2.609 CA:55.03 CB:40.11 CO:175.13 #98 D N:119.78 HN:7.210 HA:3.747 HB:2.201,1.583 CA:57.65 CB:30.10 CO:175.28 #99 R N:125.96 HN:8.150 HA:4.669 HB:1.919,1.919 CA:54.40 CB:33.91 CO:173.30 #100 E N:117.88 HN:7.999 HA:5.748 HB:3.127,2.818 CA:55.32 CB:43.16 CO:173.15 #101 F N:119.60 HN:9.120 HA:4.720 HB:2.870,2.384 CA:54.84 CB:33.93 CO:172.98 #102 H N:120.73 HN:8.677 HA:4.990 HB:1.567 CA:59.64 CB:34.81 CO:173.20 #103 V N:126.07 HN:8.431 HA:4.224 HB:1.440 CA:60.27 CB:40.41 CO:174.83 #104 I N:128.53 HN:8.447 HA:4.825 HB:3.345,2.984 CA:56.43 CB:31.63 CO:175.92 #105 W N:124.00 HN:8.151 HA:4.080 HB:2.447,1.831 CA:58.21 CB:33.67 CO:174.84 #106 K N:133.46 HN:7.950 HA:4.360 HB:1.900,1.742 CA:57.62 CB:34.49 #107 K