REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1b7b_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMVVALGG NAILSNDASA HAQQQALVQT SAYLVHLIKQ GHRLIVSHGN DATA SEQUENCE GPQVGNLLLQ QQAADSEKNP AMPLDTCVAM TQGSIGYWLS NALNQELNKA DATA SEQUENCE GIKKQVATVL TQVVVDPADE AFKNPTKPIG PFLTEAEAKE AMQAGAIFKE DATA SEQUENCE DAGRGWRKVV PSPKPIDIHE AETINTLIKN DIITISCGGG GIPVVGQELK DATA SEQUENCE GVEAVIDKDF ASEKLAELVD ADALVILTGV DYVCINYGKP DEKQLTNVTV DATA SEQUENCE AELEEYKQAG HFAPGSMLPK IEAAIQFVES QPNKQAIITS LENLGSMSGD DATA SEQUENCE EIVGTVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.974 174.900 0.123 0.000 0.946 2 G CA 0.000 45.168 45.100 0.114 0.000 0.502 3 K N 1.125 121.626 120.400 0.168 0.000 2.448 3 K HA 0.226 4.546 4.320 0.001 0.000 0.278 3 K C -0.251 176.357 176.600 0.014 0.000 1.009 3 K CA 0.316 56.628 56.287 0.040 0.000 0.995 3 K CB 0.701 33.149 32.500 -0.088 0.000 0.917 3 K HN 0.213 nan 8.250 nan 0.000 0.481 4 K N 3.772 124.177 120.400 0.008 0.000 2.276 4 K HA 0.227 4.548 4.320 0.001 0.000 0.285 4 K C -0.247 176.333 176.600 -0.032 0.000 1.062 4 K CA 0.055 56.345 56.287 0.004 0.000 0.918 4 K CB 0.786 33.297 32.500 0.018 0.000 1.055 4 K HN 0.361 nan 8.250 nan 0.000 0.477 5 M N 2.766 122.334 119.600 -0.053 0.000 2.321 5 M HA 0.285 4.765 4.480 0.001 0.000 0.315 5 M C -0.748 175.501 176.300 -0.086 0.000 1.052 5 M CA -1.096 54.149 55.300 -0.091 0.000 0.936 5 M CB 2.189 34.718 32.600 -0.119 0.000 1.639 5 M HN 0.124 nan 8.290 nan 0.000 0.433 6 V N 4.287 124.121 119.914 -0.134 0.000 2.333 6 V HA 0.359 4.480 4.120 0.001 0.000 0.274 6 V C -0.281 175.733 176.094 -0.132 0.000 1.028 6 V CA -0.670 61.550 62.300 -0.133 0.000 0.851 6 V CB 1.357 33.066 31.823 -0.190 0.000 1.000 6 V HN 0.625 nan 8.190 nan 0.000 0.456 7 V N 4.407 124.272 119.914 -0.082 0.000 2.398 7 V HA 0.681 4.801 4.120 0.001 0.000 0.286 7 V C 0.491 176.554 176.094 -0.052 0.000 1.026 7 V CA -0.578 61.681 62.300 -0.067 0.000 0.868 7 V CB 1.644 33.449 31.823 -0.030 0.000 0.982 7 V HN 0.912 nan 8.190 nan 0.000 0.443 8 A N 6.621 129.400 122.820 -0.068 0.000 2.341 8 A HA 0.705 5.025 4.320 0.001 0.000 0.326 8 A C -0.362 177.211 177.584 -0.018 0.000 1.402 8 A CA -0.411 51.595 52.037 -0.051 0.000 0.957 8 A CB -0.032 18.913 19.000 -0.091 0.000 1.151 8 A HN 0.836 nan 8.150 nan 0.000 0.533 9 L N 2.546 123.788 121.223 0.032 0.000 2.380 9 L HA 0.422 4.762 4.340 0.001 0.000 0.273 9 L C 1.148 178.055 176.870 0.062 0.000 1.138 9 L CA -0.296 54.575 54.840 0.052 0.000 0.832 9 L CB 1.124 43.234 42.059 0.085 0.000 1.124 9 L HN 0.737 nan 8.230 nan 0.000 0.454 10 G N 1.341 110.164 108.800 0.040 0.000 2.353 10 G HA2 0.356 4.316 3.960 0.001 0.000 0.284 10 G HA3 0.356 4.316 3.960 0.001 0.000 0.284 10 G C 0.914 175.853 174.900 0.064 0.000 1.172 10 G CA -0.032 45.092 45.100 0.040 0.000 0.854 10 G HN 0.861 nan 8.290 nan 0.000 0.485 11 G N 2.384 111.231 108.800 0.078 0.000 2.422 11 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 11 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 11 G C 1.591 176.537 174.900 0.076 0.000 1.146 11 G CA 1.130 46.286 45.100 0.093 0.000 0.769 11 G HN 0.691 nan 8.290 nan 0.000 0.547 12 N N 1.466 120.202 118.700 0.060 0.000 2.459 12 N HA 0.165 4.906 4.740 0.001 0.000 0.181 12 N C 1.936 177.478 175.510 0.054 0.000 1.046 12 N CA 1.322 54.409 53.050 0.062 0.000 0.904 12 N CB -0.484 38.040 38.487 0.061 0.000 0.964 12 N HN 0.302 nan 8.380 nan 0.000 0.444 13 A N 1.050 123.896 122.820 0.044 0.000 1.903 13 A HA 0.202 4.522 4.320 0.001 0.000 0.213 13 A C 2.271 179.876 177.584 0.034 0.000 1.185 13 A CA 0.499 52.555 52.037 0.033 0.000 0.628 13 A CB -0.522 18.493 19.000 0.025 0.000 0.830 13 A HN 0.236 nan 8.150 nan 0.000 0.446 14 I N -0.844 119.754 120.570 0.047 0.000 2.226 14 I HA -0.108 4.063 4.170 0.001 0.000 0.245 14 I C 1.049 177.187 176.117 0.035 0.000 1.100 14 I CA 1.044 62.371 61.300 0.044 0.000 1.374 14 I CB -0.007 38.042 38.000 0.082 0.000 1.057 14 I HN 0.203 nan 8.210 nan 0.000 0.413 15 L N 1.136 122.394 121.223 0.059 0.000 2.506 15 L HA 0.214 4.554 4.340 0.001 0.000 0.247 15 L C 1.031 177.937 176.870 0.059 0.000 1.141 15 L CA -0.199 54.675 54.840 0.056 0.000 0.973 15 L CB 0.447 42.559 42.059 0.088 0.000 1.319 15 L HN 0.087 nan 8.230 nan 0.000 0.455 16 S N 0.785 116.509 115.700 0.040 0.000 2.511 16 S HA 0.143 4.613 4.470 0.001 0.000 0.214 16 S C 0.695 175.318 174.600 0.038 0.000 0.997 16 S CA -0.144 58.081 58.200 0.043 0.000 0.908 16 S CB 0.328 63.544 63.200 0.027 0.000 0.803 16 S HN 0.680 nan 8.310 nan 0.000 0.504 17 N N 1.173 119.890 118.700 0.029 0.000 2.868 17 N HA 0.122 4.863 4.740 0.001 0.000 0.185 17 N C -1.430 174.096 175.510 0.026 0.000 1.654 17 N CA 0.029 53.094 53.050 0.024 0.000 1.278 17 N CB -0.418 38.074 38.487 0.008 0.000 0.898 17 N HN 0.078 nan 8.380 nan 0.000 0.692 18 D N 0.806 121.212 120.400 0.010 0.000 2.450 18 D HA 0.260 4.901 4.640 0.001 0.000 0.247 18 D C -0.008 176.297 176.300 0.008 0.000 1.162 18 D CA 0.196 54.202 54.000 0.010 0.000 0.879 18 D CB 1.176 41.975 40.800 -0.001 0.000 1.163 18 D HN 0.493 nan 8.370 nan 0.000 0.472 19 A N 3.076 125.912 122.820 0.027 0.000 2.302 19 A HA 0.139 4.460 4.320 0.001 0.000 0.219 19 A C 0.802 178.403 177.584 0.028 0.000 1.243 19 A CA -0.147 51.914 52.037 0.041 0.000 0.856 19 A CB -0.358 18.681 19.000 0.066 0.000 0.893 19 A HN 0.486 nan 8.150 nan 0.000 0.491 20 S N -1.164 114.533 115.700 -0.004 0.000 2.584 20 S HA 0.568 5.038 4.470 0.001 0.000 0.273 20 S C 1.282 175.809 174.600 -0.121 0.000 1.311 20 S CA -0.119 58.072 58.200 -0.015 0.000 1.034 20 S CB 1.544 64.748 63.200 0.007 0.000 0.939 20 S HN 0.784 nan 8.310 nan 0.000 0.513 21 A N 1.541 124.288 122.820 -0.121 0.000 1.892 21 A HA -0.199 4.122 4.320 0.001 0.000 0.218 21 A C 2.047 179.295 177.584 -0.561 0.000 1.188 21 A CA 2.384 54.177 52.037 -0.407 0.000 0.631 21 A CB -1.779 17.182 19.000 -0.066 0.000 0.822 21 A HN 1.144 nan 8.150 nan 0.000 0.447 22 H N -0.137 118.737 119.070 -0.327 0.000 2.319 22 H HA -0.024 4.533 4.556 0.001 0.000 0.299 22 H C 2.183 177.340 175.328 -0.285 0.000 1.092 22 H CA 2.288 58.167 56.048 -0.281 0.000 1.302 22 H CB -0.330 29.338 29.762 -0.157 0.000 1.373 22 H HN 0.399 nan 8.280 nan 0.000 0.497 23 A N 0.433 123.107 122.820 -0.243 0.000 1.902 23 A HA -0.228 4.092 4.320 0.001 0.000 0.217 23 A C 2.313 179.709 177.584 -0.313 0.000 1.181 23 A CA 1.838 53.733 52.037 -0.237 0.000 0.623 23 A CB -0.561 18.383 19.000 -0.094 0.000 0.818 23 A HN 0.689 nan 8.150 nan 0.000 0.443 24 Q N -0.720 118.846 119.800 -0.391 0.000 2.046 24 Q HA -0.224 4.116 4.340 0.001 0.000 0.200 24 Q C 2.339 178.063 176.000 -0.460 0.000 0.975 24 Q CA 1.649 57.216 55.803 -0.394 0.000 0.836 24 Q CB -0.262 28.177 28.738 -0.497 0.000 0.896 24 Q HN 0.787 nan 8.270 nan 0.000 0.428 25 Q N 0.702 120.070 119.800 -0.719 0.000 2.096 25 Q HA -0.247 4.093 4.340 0.001 0.000 0.204 25 Q C 2.127 177.891 176.000 -0.394 0.000 0.982 25 Q CA 1.456 56.910 55.803 -0.583 0.000 0.850 25 Q CB -0.157 28.174 28.738 -0.679 0.000 0.901 25 Q HN 0.382 nan 8.270 nan 0.000 0.422 26 Q N 0.113 119.635 119.800 -0.464 0.000 2.096 26 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 26 Q C 1.992 177.855 176.000 -0.228 0.000 0.982 26 Q CA 1.408 56.990 55.803 -0.368 0.000 0.850 26 Q CB -0.123 28.342 28.738 -0.456 0.000 0.901 26 Q HN 0.412 nan 8.270 nan 0.000 0.422 27 A N 0.392 123.090 122.820 -0.203 0.000 1.930 27 A HA -0.112 4.208 4.320 0.001 0.000 0.217 27 A C 1.960 179.489 177.584 -0.092 0.000 1.175 27 A CA 0.898 52.864 52.037 -0.118 0.000 0.627 27 A CB -0.549 18.397 19.000 -0.090 0.000 0.815 27 A HN 0.443 nan 8.150 nan 0.000 0.443 28 L N -0.365 120.792 121.223 -0.110 0.000 2.275 28 L HA -0.121 4.220 4.340 0.001 0.000 0.215 28 L C 2.325 179.146 176.870 -0.080 0.000 1.119 28 L CA 0.433 55.231 54.840 -0.070 0.000 0.790 28 L CB -0.312 41.714 42.059 -0.055 0.000 0.919 28 L HN 0.245 nan 8.230 nan 0.000 0.443 29 V N -0.929 118.915 119.914 -0.116 0.000 2.358 29 V HA -0.253 3.868 4.120 0.001 0.000 0.246 29 V C 2.500 178.513 176.094 -0.136 0.000 1.047 29 V CA 1.456 63.686 62.300 -0.117 0.000 1.035 29 V CB -0.394 31.352 31.823 -0.129 0.000 0.658 29 V HN 0.449 nan 8.190 nan 0.000 0.452 30 Q N 0.372 120.085 119.800 -0.145 0.000 2.046 30 Q HA -0.180 4.160 4.340 0.001 0.000 0.200 30 Q C 2.576 178.417 176.000 -0.264 0.000 0.975 30 Q CA 2.482 58.149 55.803 -0.228 0.000 0.836 30 Q CB -0.631 28.023 28.738 -0.139 0.000 0.896 30 Q HN 0.856 nan 8.270 nan 0.000 0.428 31 T N -1.705 112.823 114.554 -0.043 0.000 2.720 31 T HA -0.090 4.260 4.350 0.001 0.000 0.268 31 T C 2.152 176.876 174.700 0.041 0.000 1.037 31 T CA 1.672 63.836 62.100 0.107 0.000 1.144 31 T CB -0.367 68.557 68.868 0.094 0.000 0.864 31 T HN 0.048 nan 8.240 nan 0.000 0.444 32 S N 1.869 117.552 115.700 -0.028 0.000 2.383 32 S HA 0.050 4.521 4.470 0.001 0.000 0.229 32 S C 2.614 177.188 174.600 -0.043 0.000 1.030 32 S CA 0.988 59.174 58.200 -0.022 0.000 1.002 32 S CB -0.850 62.327 63.200 -0.038 0.000 0.829 32 S HN 0.788 nan 8.310 nan 0.000 0.467 33 A N 0.659 123.390 122.820 -0.147 0.000 1.902 33 A HA -0.101 4.219 4.320 0.001 0.000 0.217 33 A C 1.889 179.411 177.584 -0.105 0.000 1.181 33 A CA 1.467 53.392 52.037 -0.187 0.000 0.623 33 A CB -0.908 17.879 19.000 -0.355 0.000 0.818 33 A HN 0.524 nan 8.150 nan 0.000 0.443 34 Y N 0.089 120.397 120.300 0.012 0.000 2.200 34 Y HA -0.098 4.452 4.550 0.000 0.000 0.290 34 Y C 2.226 178.168 175.900 0.070 0.000 1.137 34 Y CA 1.021 59.132 58.100 0.018 0.000 1.163 34 Y CB -0.786 37.664 38.460 -0.016 0.000 0.988 34 Y HN 0.172 nan 8.280 nan 0.000 0.518 35 L N -1.208 120.133 121.223 0.196 0.000 2.017 35 L HA -0.203 4.137 4.340 0.001 0.000 0.208 35 L C 2.299 179.239 176.870 0.117 0.000 1.073 35 L CA 0.956 55.877 54.840 0.135 0.000 0.745 35 L CB -0.871 41.240 42.059 0.087 0.000 0.894 35 L HN 0.052 nan 8.230 nan 0.000 0.432 36 V N -0.563 119.405 119.914 0.089 0.000 2.469 36 V HA -0.337 3.783 4.120 0.001 0.000 0.251 36 V C 2.427 178.569 176.094 0.080 0.000 1.064 36 V CA 2.097 64.434 62.300 0.062 0.000 1.066 36 V CB -0.848 30.994 31.823 0.032 0.000 0.667 36 V HN 0.533 nan 8.190 nan 0.000 0.461 37 H N 0.063 119.158 119.070 0.042 0.000 2.352 37 H HA -0.142 4.415 4.556 0.000 0.000 0.299 37 H C 2.037 177.391 175.328 0.044 0.000 1.097 37 H CA 1.868 57.943 56.048 0.045 0.000 1.311 37 H CB -0.158 29.654 29.762 0.083 0.000 1.377 37 H HN 0.359 nan 8.280 nan 0.000 0.504 38 L N -0.197 121.105 121.223 0.131 0.000 2.131 38 L HA -0.141 4.200 4.340 0.001 0.000 0.210 38 L C 2.322 179.198 176.870 0.011 0.000 1.092 38 L CA 1.046 55.958 54.840 0.120 0.000 0.759 38 L CB -0.298 41.883 42.059 0.204 0.000 0.903 38 L HN 0.392 nan 8.230 nan 0.000 0.435 39 I N -0.335 120.237 120.570 0.004 0.000 2.315 39 I HA -0.251 3.920 4.170 0.001 0.000 0.248 39 I C 2.408 178.471 176.117 -0.090 0.000 1.117 39 I CA 1.167 62.454 61.300 -0.021 0.000 1.404 39 I CB -0.261 37.740 38.000 0.002 0.000 1.071 39 I HN 0.193 nan 8.210 nan 0.000 0.419 40 K N 0.702 121.023 120.400 -0.131 0.000 2.147 40 K HA -0.185 4.135 4.320 0.001 0.000 0.205 40 K C 1.744 178.213 176.600 -0.219 0.000 1.049 40 K CA 1.145 57.333 56.287 -0.165 0.000 0.936 40 K CB -0.115 32.263 32.500 -0.203 0.000 0.722 40 K HN 0.443 nan 8.250 nan 0.000 0.446 41 Q N -0.393 119.224 119.800 -0.305 0.000 2.415 41 Q HA 0.049 4.389 4.340 0.001 0.000 0.206 41 Q C 0.537 176.273 176.000 -0.440 0.000 0.946 41 Q CA 0.380 55.951 55.803 -0.386 0.000 0.951 41 Q CB 0.600 29.046 28.738 -0.488 0.000 1.026 41 Q HN 0.488 nan 8.270 nan 0.000 0.510 42 G N 1.123 109.759 108.800 -0.273 0.000 2.160 42 G HA2 -0.279 3.681 3.960 0.001 0.000 0.244 42 G HA3 -0.279 3.681 3.960 0.001 0.000 0.244 42 G C -0.433 174.400 174.900 -0.111 0.000 1.022 42 G CA 0.003 44.999 45.100 -0.172 0.000 0.741 42 G HN 0.534 nan 8.290 nan 0.000 0.508 43 H N -0.192 118.866 119.070 -0.020 0.000 2.488 43 H HA 0.589 5.146 4.556 0.001 0.000 0.347 43 H C 0.603 175.928 175.328 -0.005 0.000 1.174 43 H CA -0.911 55.132 56.048 -0.009 0.000 1.307 43 H CB 0.729 30.487 29.762 -0.006 0.000 1.517 43 H HN 0.079 nan 8.280 nan 0.000 0.554 44 R N 2.342 122.926 120.500 0.141 0.000 2.229 44 R HA 0.248 4.588 4.340 0.001 0.000 0.328 44 R C -0.824 175.505 176.300 0.049 0.000 1.009 44 R CA -0.474 55.667 56.100 0.069 0.000 0.864 44 R CB 0.897 31.225 30.300 0.047 0.000 1.085 44 R HN 0.452 nan 8.270 nan 0.000 0.453 45 L N 5.016 126.264 121.223 0.042 0.000 2.276 45 L HA 0.466 4.806 4.340 0.001 0.000 0.286 45 L C 0.167 177.046 176.870 0.015 0.000 1.061 45 L CA -0.460 54.397 54.840 0.028 0.000 0.807 45 L CB 0.950 43.032 42.059 0.037 0.000 1.177 45 L HN 0.496 nan 8.230 nan 0.000 0.429 46 I N 4.716 125.285 120.570 -0.001 0.000 2.537 46 I HA 0.229 4.400 4.170 0.001 0.000 0.276 46 I C -0.275 175.835 176.117 -0.011 0.000 1.063 46 I CA -0.491 60.804 61.300 -0.008 0.000 1.144 46 I CB 1.443 39.430 38.000 -0.023 0.000 1.252 46 I HN 0.210 nan 8.210 nan 0.000 0.480 47 V N 3.515 123.434 119.914 0.010 0.000 2.686 47 V HA 0.536 4.656 4.120 0.001 0.000 0.295 47 V C 0.364 176.477 176.094 0.031 0.000 1.057 47 V CA -0.121 62.193 62.300 0.023 0.000 1.012 47 V CB 1.567 33.418 31.823 0.046 0.000 1.006 47 V HN 0.737 nan 8.190 nan 0.000 0.477 48 S N 1.338 117.058 115.700 0.034 0.000 2.671 48 S HA 0.848 5.319 4.470 0.001 0.000 0.277 48 S C -1.327 173.323 174.600 0.082 0.000 1.165 48 S CA -0.542 57.662 58.200 0.008 0.000 0.822 48 S CB 1.788 64.951 63.200 -0.060 0.000 1.150 48 S HN 1.262 nan 8.310 nan 0.000 0.479 49 H N -1.577 117.483 119.070 -0.018 0.000 3.060 49 H HA 0.648 5.205 4.556 0.001 0.000 0.330 49 H C -0.121 175.200 175.328 -0.011 0.000 1.305 49 H CA -0.563 55.479 56.048 -0.011 0.000 1.209 49 H CB 0.398 30.161 29.762 0.003 0.000 1.913 49 H HN 0.805 nan 8.280 nan 0.000 0.534 50 G N -0.275 108.585 108.800 0.099 0.000 2.525 50 G HA2 0.374 4.334 3.960 0.001 0.000 0.287 50 G HA3 0.374 4.334 3.960 0.001 0.000 0.287 50 G C -0.062 174.926 174.900 0.147 0.000 1.350 50 G CA -0.310 44.819 45.100 0.048 0.000 1.039 50 G HN 1.098 nan 8.290 nan 0.000 0.513 51 N N -2.134 116.612 118.700 0.077 0.000 2.073 51 N HA 0.046 4.786 4.740 0.001 0.000 0.227 51 N C 1.523 177.060 175.510 0.044 0.000 1.367 51 N CA 0.808 53.908 53.050 0.085 0.000 0.775 51 N CB -0.445 38.085 38.487 0.072 0.000 1.234 51 N HN 0.667 nan 8.380 nan 0.000 0.512 52 G N 2.861 111.676 108.800 0.026 0.000 2.766 52 G HA2 -0.292 3.669 3.960 0.001 0.000 0.222 52 G HA3 -0.292 3.669 3.960 0.001 0.000 0.222 52 G C -0.459 174.441 174.900 0.000 0.000 1.225 52 G CA 1.912 47.012 45.100 0.000 0.000 0.784 52 G HN 0.431 nan 8.290 nan 0.000 0.631 53 P HA -0.060 nan 4.420 nan 0.000 0.216 53 P C 1.589 178.920 177.300 0.051 0.000 1.153 53 P CA 1.575 64.694 63.100 0.031 0.000 0.844 53 P CB -0.079 31.656 31.700 0.060 0.000 0.787 54 Q N 0.049 119.892 119.800 0.072 0.000 2.061 54 Q HA -0.111 4.229 4.340 0.001 0.000 0.204 54 Q C 2.353 178.382 176.000 0.049 0.000 0.984 54 Q CA 1.287 57.140 55.803 0.084 0.000 0.846 54 Q CB -1.659 27.132 28.738 0.088 0.000 0.902 54 Q HN 0.089 nan 8.270 nan 0.000 0.421 55 V N -0.032 119.899 119.914 0.028 0.000 2.548 55 V HA -0.106 4.014 4.120 0.001 0.000 0.249 55 V C 1.825 177.923 176.094 0.006 0.000 1.055 55 V CA 2.048 64.355 62.300 0.011 0.000 1.065 55 V CB -0.700 31.123 31.823 -0.001 0.000 0.681 55 V HN 0.504 nan 8.190 nan 0.000 0.462 56 G N -0.155 108.646 108.800 0.001 0.000 2.404 56 G HA2 -0.256 3.704 3.960 0.001 0.000 0.215 56 G HA3 -0.256 3.704 3.960 0.001 0.000 0.215 56 G C 1.372 176.283 174.900 0.019 0.000 1.174 56 G CA 0.914 46.011 45.100 -0.006 0.000 0.780 56 G HN 0.562 nan 8.290 nan 0.000 0.537 57 N N 0.317 119.039 118.700 0.036 0.000 2.084 57 N HA -0.084 4.656 4.740 0.001 0.000 0.190 57 N C 1.982 177.521 175.510 0.048 0.000 1.030 57 N CA 0.799 53.880 53.050 0.052 0.000 0.849 57 N CB -0.591 37.939 38.487 0.071 0.000 1.012 57 N HN 0.260 nan 8.380 nan 0.000 0.423 58 L N 0.586 121.835 121.223 0.042 0.000 2.046 58 L HA -0.037 4.303 4.340 0.001 0.000 0.208 58 L C 1.980 178.866 176.870 0.026 0.000 1.077 58 L CA 1.223 56.084 54.840 0.035 0.000 0.747 58 L CB -0.873 41.200 42.059 0.024 0.000 0.896 58 L HN 0.108 nan 8.230 nan 0.000 0.432 59 L N -0.909 120.325 121.223 0.020 0.000 2.042 59 L HA -0.221 4.119 4.340 0.001 0.000 0.210 59 L C 2.375 179.260 176.870 0.025 0.000 1.076 59 L CA 1.818 56.667 54.840 0.016 0.000 0.749 59 L CB -0.608 41.453 42.059 0.004 0.000 0.893 59 L HN 0.291 nan 8.230 nan 0.000 0.432 60 L N -1.183 120.060 121.223 0.033 0.000 2.042 60 L HA -0.275 4.065 4.340 0.001 0.000 0.210 60 L C 2.640 179.533 176.870 0.038 0.000 1.076 60 L CA 1.471 56.337 54.840 0.042 0.000 0.749 60 L CB -0.558 41.532 42.059 0.051 0.000 0.893 60 L HN 0.398 nan 8.230 nan 0.000 0.432 61 Q N -0.714 119.108 119.800 0.037 0.000 2.135 61 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 61 Q C 2.276 178.293 176.000 0.028 0.000 0.981 61 Q CA 1.170 56.994 55.803 0.035 0.000 0.856 61 Q CB -0.131 28.630 28.738 0.039 0.000 0.902 61 Q HN 0.512 nan 8.270 nan 0.000 0.425 62 Q N 0.705 120.520 119.800 0.025 0.000 2.084 62 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 62 Q C 1.928 177.940 176.000 0.021 0.000 0.978 62 Q CA 1.456 57.271 55.803 0.020 0.000 0.844 62 Q CB -0.143 28.605 28.738 0.016 0.000 0.898 62 Q HN 0.548 nan 8.270 nan 0.000 0.426 63 Q N 0.052 119.867 119.800 0.025 0.000 2.123 63 Q HA 0.015 4.356 4.340 0.001 0.000 0.199 63 Q C 2.075 178.090 176.000 0.025 0.000 0.966 63 Q CA 1.094 56.913 55.803 0.026 0.000 0.845 63 Q CB -0.208 28.550 28.738 0.034 0.000 0.907 63 Q HN 0.363 nan 8.270 nan 0.000 0.439 64 A N 1.049 123.885 122.820 0.027 0.000 1.978 64 A HA -0.100 4.220 4.320 0.001 0.000 0.220 64 A C 1.992 179.589 177.584 0.021 0.000 1.170 64 A CA 1.743 53.795 52.037 0.025 0.000 0.636 64 A CB -0.364 18.653 19.000 0.028 0.000 0.810 64 A HN 0.364 nan 8.150 nan 0.000 0.448 65 A N -1.082 121.750 122.820 0.019 0.000 2.508 65 A HA 0.329 4.649 4.320 0.001 0.000 0.257 65 A C 0.275 177.867 177.584 0.014 0.000 1.226 65 A CA 0.109 52.156 52.037 0.016 0.000 0.947 65 A CB -0.154 18.855 19.000 0.016 0.000 1.079 65 A HN 0.316 nan 8.150 nan 0.000 0.531 66 D N 2.129 122.538 120.400 0.015 0.000 2.662 66 D HA 0.247 4.888 4.640 0.001 0.000 0.233 66 D C 0.359 176.666 176.300 0.011 0.000 1.129 66 D CA 1.699 55.707 54.000 0.013 0.000 0.851 66 D CB 0.257 41.065 40.800 0.014 0.000 1.152 66 D HN 0.496 nan 8.370 nan 0.000 0.507 67 S N 2.261 117.966 115.700 0.009 0.000 2.636 67 S HA 0.223 4.693 4.470 0.001 0.000 0.266 67 S C 0.711 175.314 174.600 0.006 0.000 1.147 67 S CA -0.904 57.300 58.200 0.007 0.000 0.815 67 S CB 1.208 64.412 63.200 0.007 0.000 1.119 67 S HN 0.329 nan 8.310 nan 0.000 0.470 68 E N 0.897 121.100 120.200 0.005 0.000 2.077 68 E HA -0.089 4.261 4.350 0.001 0.000 0.193 68 E C 1.357 177.959 176.600 0.003 0.000 0.989 68 E CA 1.167 57.569 56.400 0.003 0.000 0.800 68 E CB -0.174 29.527 29.700 0.003 0.000 0.746 68 E HN 0.590 nan 8.360 nan 0.000 0.452 69 K N 0.067 120.469 120.400 0.004 0.000 2.296 69 K HA -0.028 4.292 4.320 0.001 0.000 0.200 69 K C 0.907 177.510 176.600 0.004 0.000 1.048 69 K CA 0.378 56.667 56.287 0.004 0.000 0.966 69 K CB 0.192 32.694 32.500 0.004 0.000 0.754 69 K HN -0.119 nan 8.250 nan 0.000 0.466 70 N N 0.535 119.238 118.700 0.005 0.000 2.722 70 N HA 0.144 4.884 4.740 0.001 0.000 0.242 70 N C -3.021 172.493 175.510 0.007 0.000 1.398 70 N CA -1.798 51.256 53.050 0.006 0.000 0.755 70 N CB 1.076 39.568 38.487 0.008 0.000 1.268 70 N HN -0.124 nan 8.380 nan 0.000 0.522 71 P HA 0.230 nan 4.420 nan 0.000 0.278 71 P C -0.456 176.848 177.300 0.007 0.000 1.238 71 P CA -0.403 62.701 63.100 0.006 0.000 0.794 71 P CB 1.079 32.781 31.700 0.004 0.000 0.955 72 A N 4.555 127.380 122.820 0.008 0.000 2.477 72 A HA 0.338 4.659 4.320 0.001 0.000 0.246 72 A C 0.732 178.320 177.584 0.006 0.000 1.078 72 A CA -0.177 51.866 52.037 0.009 0.000 0.770 72 A CB -0.428 18.579 19.000 0.012 0.000 1.011 72 A HN 0.445 nan 8.150 nan 0.000 0.494 73 M N 4.592 124.195 119.600 0.005 0.000 2.162 73 M HA 0.239 4.719 4.480 0.001 0.000 0.356 73 M C -2.003 174.298 176.300 0.003 0.000 1.303 73 M CA -2.268 53.034 55.300 0.002 0.000 1.116 73 M CB 0.395 32.996 32.600 0.001 0.000 1.632 73 M HN 0.479 nan 8.290 nan 0.000 0.469 74 P HA -0.035 nan 4.420 nan 0.000 0.269 74 P C 0.950 178.252 177.300 0.004 0.000 1.217 74 P CA -0.397 62.706 63.100 0.004 0.000 0.783 74 P CB 0.833 32.535 31.700 0.004 0.000 0.898 75 L N 2.053 123.279 121.223 0.005 0.000 2.034 75 L HA -0.258 4.082 4.340 0.001 0.000 0.217 75 L C 2.178 179.049 176.870 0.002 0.000 1.077 75 L CA 2.495 57.336 54.840 0.003 0.000 0.769 75 L CB -1.412 40.649 42.059 0.004 0.000 0.890 75 L HN 0.510 nan 8.230 nan 0.000 0.435 76 D N -2.709 117.696 120.400 0.008 0.000 2.116 76 D HA -0.236 4.404 4.640 0.001 0.000 0.193 76 D C 1.724 178.022 176.300 -0.004 0.000 0.998 76 D CA 2.133 56.136 54.000 0.005 0.000 0.836 76 D CB -0.832 39.973 40.800 0.008 0.000 0.951 76 D HN 0.380 nan 8.370 nan 0.000 0.449 77 T N 0.075 114.627 114.554 -0.004 0.000 2.904 77 T HA -0.072 4.278 4.350 0.001 0.000 0.267 77 T C 2.225 176.920 174.700 -0.009 0.000 1.059 77 T CA 0.957 63.053 62.100 -0.008 0.000 1.137 77 T CB -0.438 68.426 68.868 -0.007 0.000 0.879 77 T HN 0.311 nan 8.240 nan 0.000 0.467 78 C N 0.936 120.233 119.300 -0.006 0.000 2.446 78 C HA 0.002 4.463 4.460 0.001 0.000 0.277 78 C C 2.826 177.809 174.990 -0.011 0.000 1.275 78 C CA 0.118 59.132 59.018 -0.007 0.000 1.727 78 C CB -1.108 26.630 27.740 -0.004 0.000 2.010 78 C HN 0.354 nan 8.230 nan 0.000 0.486 79 V N 1.535 121.443 119.914 -0.011 0.000 2.332 79 V HA -0.243 3.877 4.120 0.001 0.000 0.248 79 V C 2.724 178.809 176.094 -0.015 0.000 1.055 79 V CA 2.254 64.546 62.300 -0.013 0.000 1.038 79 V CB -1.298 30.515 31.823 -0.016 0.000 0.651 79 V HN 0.604 nan 8.190 nan 0.000 0.450 80 A N -0.496 122.315 122.820 -0.016 0.000 1.908 80 A HA -0.271 4.050 4.320 0.001 0.000 0.218 80 A C 2.239 179.809 177.584 -0.023 0.000 1.181 80 A CA 2.388 54.414 52.037 -0.017 0.000 0.627 80 A CB -0.504 18.486 19.000 -0.017 0.000 0.818 80 A HN 0.522 nan 8.150 nan 0.000 0.445 81 M N -0.179 119.405 119.600 -0.026 0.000 2.175 81 M HA -0.123 4.357 4.480 0.001 0.000 0.264 81 M C 2.327 178.589 176.300 -0.063 0.000 1.063 81 M CA 1.903 57.180 55.300 -0.039 0.000 1.119 81 M CB -0.679 31.904 32.600 -0.029 0.000 1.377 81 M HN 0.698 nan 8.290 nan 0.000 0.415 82 T N -1.980 112.545 114.554 -0.048 0.000 2.951 82 T HA -0.098 4.252 4.350 0.001 0.000 0.268 82 T C 1.677 176.357 174.700 -0.033 0.000 1.073 82 T CA 0.863 62.925 62.100 -0.063 0.000 1.134 82 T CB -0.296 68.564 68.868 -0.013 0.000 0.884 82 T HN 0.446 nan 8.240 nan 0.000 0.479 83 Q N 0.784 120.587 119.800 0.006 0.000 2.119 83 Q HA 0.033 4.373 4.340 0.001 0.000 0.201 83 Q C 2.684 178.684 176.000 0.000 0.000 0.972 83 Q CA 1.413 57.250 55.803 0.057 0.000 0.847 83 Q CB -0.525 28.226 28.738 0.022 0.000 0.903 83 Q HN 0.729 nan 8.270 nan 0.000 0.433 84 G N 0.869 109.638 108.800 -0.052 0.000 2.414 84 G HA2 -0.271 3.689 3.960 0.001 0.000 0.215 84 G HA3 -0.271 3.689 3.960 0.001 0.000 0.215 84 G C 1.635 176.443 174.900 -0.153 0.000 1.188 84 G CA 1.124 46.178 45.100 -0.075 0.000 0.783 84 G HN 0.467 nan 8.290 nan 0.000 0.537 85 S N 1.126 116.659 115.700 -0.277 0.000 2.344 85 S HA -0.076 4.395 4.470 0.001 0.000 0.217 85 S C 2.355 176.324 174.600 -1.052 0.000 1.033 85 S CA 1.322 59.153 58.200 -0.614 0.000 1.017 85 S CB -0.635 62.165 63.200 -0.667 0.000 0.941 85 S HN 0.297 nan 8.310 nan 0.000 0.430 86 I N 2.645 122.718 120.570 -0.829 0.000 2.208 86 I HA -0.090 4.080 4.170 0.001 0.000 0.245 86 I C 2.941 178.804 176.117 -0.423 0.000 1.097 86 I CA 1.200 62.108 61.300 -0.655 0.000 1.363 86 I CB -1.279 36.422 38.000 -0.497 0.000 1.051 86 I HN 0.505 nan 8.210 nan 0.000 0.413 87 G N 0.539 109.184 108.800 -0.259 0.000 2.459 87 G HA2 -0.352 3.608 3.960 0.001 0.000 0.217 87 G HA3 -0.352 3.608 3.960 0.001 0.000 0.217 87 G C 1.609 176.502 174.900 -0.012 0.000 1.183 87 G CA 1.029 46.082 45.100 -0.078 0.000 0.776 87 G HN 0.373 nan 8.290 nan 0.000 0.552 88 Y N 0.865 121.064 120.300 -0.168 0.000 2.081 88 Y HA -0.194 4.356 4.550 0.000 0.000 0.280 88 Y C 2.523 178.465 175.900 0.070 0.000 1.163 88 Y CA 1.409 59.465 58.100 -0.073 0.000 1.135 88 Y CB -0.776 37.610 38.460 -0.123 0.000 0.970 88 Y HN 0.301 nan 8.280 nan 0.000 0.498 89 W N 0.129 121.206 121.300 -0.371 0.000 2.315 89 W HA -0.240 4.421 4.660 0.001 0.000 0.323 89 W C 2.531 178.889 176.519 -0.268 0.000 1.233 89 W CA 1.464 58.530 57.345 -0.465 0.000 1.267 89 W CB -1.705 27.567 29.460 -0.314 0.000 1.160 89 W HN 0.246 nan 8.180 nan 0.000 0.474 90 L N 0.944 122.198 121.223 0.051 0.000 2.012 90 L HA -0.224 4.116 4.340 0.001 0.000 0.210 90 L C 2.385 179.260 176.870 0.010 0.000 1.073 90 L CA 2.420 57.261 54.840 0.002 0.000 0.748 90 L CB -1.299 40.732 42.059 -0.047 0.000 0.891 90 L HN -0.177 nan 8.230 nan 0.000 0.431 91 S N -0.147 115.570 115.700 0.029 0.000 2.359 91 S HA -0.215 4.255 4.470 0.001 0.000 0.224 91 S C 1.881 176.510 174.600 0.048 0.000 1.035 91 S CA 1.435 59.666 58.200 0.052 0.000 1.018 91 S CB -0.715 62.538 63.200 0.089 0.000 0.876 91 S HN 0.619 nan 8.310 nan 0.000 0.448 92 N N 1.733 120.460 118.700 0.046 0.000 2.069 92 N HA -0.149 4.592 4.740 0.001 0.000 0.191 92 N C 1.876 177.383 175.510 -0.006 0.000 1.031 92 N CA 1.603 54.672 53.050 0.031 0.000 0.852 92 N CB -0.359 38.110 38.487 -0.029 0.000 1.018 92 N HN 0.380 nan 8.380 nan 0.000 0.423 93 A N 1.685 124.485 122.820 -0.033 0.000 1.883 93 A HA -0.095 4.225 4.320 0.001 0.000 0.217 93 A C 2.552 180.122 177.584 -0.024 0.000 1.186 93 A CA 0.980 52.991 52.037 -0.044 0.000 0.624 93 A CB -0.845 18.120 19.000 -0.058 0.000 0.822 93 A HN 0.359 nan 8.150 nan 0.000 0.444 94 L N -0.564 120.655 121.223 -0.007 0.000 2.046 94 L HA -0.246 4.095 4.340 0.001 0.000 0.208 94 L C 2.561 179.434 176.870 0.004 0.000 1.077 94 L CA 1.832 56.673 54.840 0.002 0.000 0.747 94 L CB -0.581 41.487 42.059 0.015 0.000 0.896 94 L HN 0.640 nan 8.230 nan 0.000 0.432 95 N N -0.261 118.446 118.700 0.012 0.000 2.069 95 N HA -0.301 4.439 4.740 0.001 0.000 0.191 95 N C 1.917 177.430 175.510 0.006 0.000 1.031 95 N CA 1.724 54.783 53.050 0.015 0.000 0.852 95 N CB -0.115 38.389 38.487 0.028 0.000 1.018 95 N HN 0.269 nan 8.380 nan 0.000 0.423 96 Q N -0.169 119.630 119.800 -0.002 0.000 2.030 96 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 96 Q C 1.423 177.413 176.000 -0.016 0.000 0.986 96 Q CA 1.469 57.266 55.803 -0.011 0.000 0.843 96 Q CB -0.085 28.639 28.738 -0.023 0.000 0.904 96 Q HN 0.432 nan 8.270 nan 0.000 0.420 97 E N 0.438 120.624 120.200 -0.022 0.000 2.106 97 E HA -0.128 4.223 4.350 0.001 0.000 0.192 97 E C 2.165 178.757 176.600 -0.013 0.000 0.984 97 E CA 0.694 57.079 56.400 -0.025 0.000 0.806 97 E CB -0.174 29.506 29.700 -0.034 0.000 0.750 97 E HN 0.437 nan 8.360 nan 0.000 0.458 98 L N 0.951 122.171 121.223 -0.005 0.000 2.005 98 L HA -0.154 4.186 4.340 0.001 0.000 0.207 98 L C 2.420 179.289 176.870 -0.002 0.000 1.072 98 L CA 0.948 55.788 54.840 -0.001 0.000 0.744 98 L CB -0.504 41.558 42.059 0.004 0.000 0.895 98 L HN 0.157 nan 8.230 nan 0.000 0.433 99 N N 0.333 119.032 118.700 -0.001 0.000 2.061 99 N HA -0.273 4.467 4.740 0.001 0.000 0.193 99 N C 1.891 177.398 175.510 -0.004 0.000 1.030 99 N CA 1.732 54.782 53.050 -0.001 0.000 0.856 99 N CB 0.036 38.524 38.487 0.001 0.000 1.023 99 N HN 0.200 nan 8.380 nan 0.000 0.424 100 K N 0.798 121.193 120.400 -0.008 0.000 2.057 100 K HA -0.030 4.290 4.320 0.001 0.000 0.207 100 K C 1.620 178.215 176.600 -0.009 0.000 1.049 100 K CA 1.367 57.648 56.287 -0.011 0.000 0.931 100 K CB -0.162 32.327 32.500 -0.017 0.000 0.714 100 K HN 0.140 nan 8.250 nan 0.000 0.440 101 A N -0.403 122.412 122.820 -0.008 0.000 2.235 101 A HA 0.193 4.514 4.320 0.001 0.000 0.208 101 A C 1.425 179.005 177.584 -0.007 0.000 1.172 101 A CA 0.873 52.906 52.037 -0.007 0.000 0.786 101 A CB -0.681 18.317 19.000 -0.005 0.000 0.804 101 A HN 0.563 nan 8.150 nan 0.000 0.479 102 G N -0.890 107.907 108.800 -0.006 0.000 2.189 102 G HA2 -0.261 3.699 3.960 0.001 0.000 0.267 102 G HA3 -0.261 3.699 3.960 0.001 0.000 0.267 102 G C 0.180 175.076 174.900 -0.006 0.000 0.975 102 G CA 0.470 45.567 45.100 -0.006 0.000 0.644 102 G HN 0.523 nan 8.290 nan 0.000 0.537 103 I N 0.602 121.168 120.570 -0.007 0.000 2.395 103 I HA 0.254 4.424 4.170 0.001 0.000 0.289 103 I C 0.562 176.677 176.117 -0.002 0.000 1.023 103 I CA -0.067 61.229 61.300 -0.007 0.000 1.350 103 I CB 1.106 39.101 38.000 -0.009 0.000 1.409 103 I HN -0.071 nan 8.210 nan 0.000 0.507 104 K N 7.029 127.428 120.400 -0.002 0.000 2.356 104 K HA 0.367 4.687 4.320 0.001 0.000 0.243 104 K C -0.778 175.824 176.600 0.003 0.000 1.072 104 K CA -0.674 55.614 56.287 0.002 0.000 1.014 104 K CB 0.710 33.211 32.500 0.001 0.000 1.523 104 K HN 0.359 nan 8.250 nan 0.000 0.455 105 K N 1.880 122.284 120.400 0.006 0.000 2.385 105 K HA 0.331 4.652 4.320 0.001 0.000 0.248 105 K C -0.324 176.284 176.600 0.012 0.000 0.955 105 K CA -0.773 55.519 56.287 0.009 0.000 0.816 105 K CB 2.317 34.823 32.500 0.010 0.000 1.250 105 K HN 0.404 nan 8.250 nan 0.000 0.434 106 Q N 0.675 120.484 119.800 0.014 0.000 2.222 106 Q HA 0.511 4.852 4.340 0.001 0.000 0.252 106 Q C -0.620 175.393 176.000 0.020 0.000 0.926 106 Q CA -0.913 54.901 55.803 0.017 0.000 0.899 106 Q CB 1.929 30.676 28.738 0.015 0.000 1.250 106 Q HN 0.174 nan 8.270 nan 0.000 0.441 107 V N 1.012 120.941 119.914 0.025 0.000 2.540 107 V HA 0.825 4.945 4.120 0.001 0.000 0.302 107 V C -0.839 175.275 176.094 0.033 0.000 1.035 107 V CA -0.683 61.635 62.300 0.029 0.000 0.873 107 V CB 1.604 33.446 31.823 0.033 0.000 0.992 107 V HN 0.838 nan 8.190 nan 0.000 0.428 108 A N 2.861 125.701 122.820 0.033 0.000 2.427 108 A HA 0.793 5.113 4.320 0.001 0.000 0.298 108 A C -0.377 177.229 177.584 0.037 0.000 1.036 108 A CA -0.513 51.544 52.037 0.033 0.000 0.701 108 A CB 1.742 20.757 19.000 0.025 0.000 1.250 108 A HN 0.660 nan 8.150 nan 0.000 0.412 109 T N 1.861 116.440 114.554 0.041 0.000 2.795 109 T HA 0.549 4.899 4.350 0.001 0.000 0.282 109 T C -0.303 174.418 174.700 0.035 0.000 0.980 109 T CA -0.262 61.866 62.100 0.047 0.000 1.012 109 T CB 1.094 69.997 68.868 0.058 0.000 0.936 109 T HN 0.524 nan 8.240 nan 0.000 0.457 110 V N 4.702 124.635 119.914 0.033 0.000 2.495 110 V HA 0.376 4.496 4.120 0.001 0.000 0.298 110 V C 0.173 176.281 176.094 0.023 0.000 1.031 110 V CA -1.044 61.271 62.300 0.025 0.000 0.871 110 V CB 1.587 33.423 31.823 0.022 0.000 0.988 110 V HN 0.776 nan 8.190 nan 0.000 0.432 111 L N 4.344 125.579 121.223 0.020 0.000 2.477 111 L HA 0.264 4.604 4.340 0.001 0.000 0.272 111 L C 0.349 177.231 176.870 0.020 0.000 1.157 111 L CA 0.512 55.361 54.840 0.015 0.000 0.889 111 L CB 0.374 42.439 42.059 0.009 0.000 1.158 111 L HN 0.687 nan 8.230 nan 0.000 0.473 112 T N 3.302 117.862 114.554 0.010 0.000 2.779 112 T HA 0.360 4.710 4.350 0.001 0.000 0.280 112 T C -0.325 174.384 174.700 0.015 0.000 0.987 112 T CA -0.692 61.419 62.100 0.018 0.000 0.966 112 T CB 1.548 70.416 68.868 0.001 0.000 0.933 112 T HN 0.467 nan 8.240 nan 0.000 0.442 113 Q N 2.018 121.841 119.800 0.038 0.000 2.347 113 Q HA 0.563 4.904 4.340 0.001 0.000 0.262 113 Q C -0.918 175.110 176.000 0.046 0.000 0.980 113 Q CA -0.733 55.083 55.803 0.020 0.000 0.867 113 Q CB 1.812 30.538 28.738 -0.020 0.000 1.242 113 Q HN 0.426 nan 8.270 nan 0.000 0.453 114 V N 3.511 123.442 119.914 0.029 0.000 2.398 114 V HA 0.282 4.402 4.120 0.001 0.000 0.286 114 V C 0.083 176.201 176.094 0.039 0.000 1.026 114 V CA -0.824 61.498 62.300 0.037 0.000 0.868 114 V CB 1.557 33.393 31.823 0.021 0.000 0.982 114 V HN 0.517 nan 8.190 nan 0.000 0.443 115 V N 6.105 126.049 119.914 0.050 0.000 2.686 115 V HA 0.493 4.613 4.120 0.001 0.000 0.295 115 V C 0.254 176.378 176.094 0.051 0.000 1.055 115 V CA -0.065 62.264 62.300 0.049 0.000 1.050 115 V CB 1.279 33.134 31.823 0.053 0.000 0.984 115 V HN 0.793 nan 8.190 nan 0.000 0.482 116 V N 0.407 120.361 119.914 0.067 0.000 3.160 116 V HA 0.655 4.776 4.120 0.001 0.000 0.310 116 V C -0.768 175.388 176.094 0.104 0.000 1.181 116 V CA -0.979 61.373 62.300 0.087 0.000 1.047 116 V CB 2.208 34.102 31.823 0.120 0.000 1.068 116 V HN 0.683 nan 8.190 nan 0.000 0.441 117 D N 2.848 123.317 120.400 0.116 0.000 2.295 117 D HA 0.405 5.045 4.640 0.001 0.000 0.248 117 D C -1.427 174.973 176.300 0.167 0.000 1.154 117 D CA -1.922 52.138 54.000 0.101 0.000 0.857 117 D CB 2.158 43.001 40.800 0.071 0.000 1.117 117 D HN 0.491 nan 8.370 nan 0.000 0.468 118 P HA -0.103 nan 4.420 nan 0.000 0.219 118 P C 0.514 177.749 177.300 -0.109 0.000 1.146 118 P CA 0.577 63.583 63.100 -0.157 0.000 0.808 118 P CB 0.275 31.870 31.700 -0.174 0.000 0.779 119 A N -0.472 122.361 122.820 0.021 0.000 2.411 119 A HA 0.075 4.395 4.320 0.001 0.000 0.251 119 A C 0.705 178.364 177.584 0.125 0.000 1.317 119 A CA -0.250 51.816 52.037 0.049 0.000 0.904 119 A CB -0.933 18.078 19.000 0.018 0.000 0.993 119 A HN 0.027 nan 8.150 nan 0.000 0.504 120 D N 0.433 120.986 120.400 0.256 0.000 2.389 120 D HA 0.019 4.659 4.640 0.001 0.000 0.247 120 D C 0.596 176.995 176.300 0.164 0.000 1.128 120 D CA -0.036 54.077 54.000 0.188 0.000 0.884 120 D CB 0.783 41.678 40.800 0.159 0.000 1.194 120 D HN 0.223 nan 8.370 nan 0.000 0.441 121 E N 2.653 122.885 120.200 0.053 0.000 2.209 121 E HA -0.182 4.168 4.350 0.001 0.000 0.196 121 E C 1.692 178.292 176.600 -0.001 0.000 0.993 121 E CA 0.709 57.127 56.400 0.031 0.000 0.819 121 E CB -0.157 29.542 29.700 -0.001 0.000 0.745 121 E HN 0.595 nan 8.360 nan 0.000 0.477 122 A N 0.478 123.246 122.820 -0.087 0.000 1.978 122 A HA -0.172 4.148 4.320 0.001 0.000 0.220 122 A C 1.860 179.320 177.584 -0.207 0.000 1.170 122 A CA 1.057 52.976 52.037 -0.197 0.000 0.636 122 A CB -0.829 17.968 19.000 -0.338 0.000 0.810 122 A HN 0.172 nan 8.150 nan 0.000 0.448 123 F N -0.032 119.903 119.950 -0.025 0.000 2.494 123 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 123 F C 2.137 177.928 175.800 -0.015 0.000 1.106 123 F CA 1.541 59.529 58.000 -0.020 0.000 1.452 123 F CB 0.002 38.991 39.000 -0.019 0.000 1.085 123 F HN 0.212 nan 8.300 nan 0.000 0.569 124 K N -0.948 119.525 120.400 0.122 0.000 2.348 124 K HA 0.119 4.439 4.320 0.001 0.000 0.194 124 K C 0.117 176.737 176.600 0.034 0.000 1.052 124 K CA 0.274 56.606 56.287 0.074 0.000 1.004 124 K CB 0.218 32.753 32.500 0.059 0.000 0.873 124 K HN 0.085 nan 8.250 nan 0.000 0.523 125 N N 2.613 121.315 118.700 0.003 0.000 2.898 125 N HA 0.221 4.962 4.740 0.001 0.000 0.245 125 N C -2.894 172.590 175.510 -0.043 0.000 1.185 125 N CA -1.271 51.770 53.050 -0.015 0.000 0.879 125 N CB 1.492 39.967 38.487 -0.021 0.000 1.157 125 N HN -0.103 nan 8.380 nan 0.000 0.503 126 P HA 0.120 nan 4.420 nan 0.000 0.267 126 P C 0.284 177.551 177.300 -0.054 0.000 1.209 126 P CA 0.312 63.378 63.100 -0.057 0.000 0.763 126 P CB 1.061 32.735 31.700 -0.042 0.000 0.816 127 T N 0.860 115.372 114.554 -0.070 0.000 3.048 127 T HA 0.065 4.416 4.350 0.001 0.000 0.254 127 T C 0.453 175.117 174.700 -0.061 0.000 0.942 127 T CA -0.031 62.036 62.100 -0.055 0.000 0.931 127 T CB -0.042 68.797 68.868 -0.048 0.000 1.220 127 T HN 0.147 nan 8.240 nan 0.000 0.503 128 K N 4.278 124.635 120.400 -0.073 0.000 2.402 128 K HA 0.120 4.441 4.320 0.001 0.000 0.279 128 K C -2.936 173.613 176.600 -0.085 0.000 1.082 128 K CA -1.665 54.581 56.287 -0.068 0.000 1.080 128 K CB 0.070 32.527 32.500 -0.072 0.000 0.899 128 K HN 0.075 nan 8.250 nan 0.000 0.469 129 P HA 0.127 nan 4.420 nan 0.000 0.271 129 P C -0.690 176.535 177.300 -0.126 0.000 1.233 129 P CA 0.167 63.195 63.100 -0.119 0.000 0.764 129 P CB 0.523 32.154 31.700 -0.115 0.000 0.825 130 I N 2.640 123.120 120.570 -0.149 0.000 2.569 130 I HA 0.590 4.760 4.170 0.001 0.000 0.296 130 I C 0.899 176.939 176.117 -0.128 0.000 1.028 130 I CA -0.239 60.988 61.300 -0.121 0.000 1.082 130 I CB 1.887 39.822 38.000 -0.108 0.000 1.264 130 I HN 0.582 nan 8.210 nan 0.000 0.429 131 G N 6.708 115.456 108.800 -0.086 0.000 2.642 131 G HA2 -0.148 3.812 3.960 0.001 0.000 0.231 131 G HA3 -0.148 3.812 3.960 0.001 0.000 0.231 131 G C -2.875 171.966 174.900 -0.097 0.000 1.338 131 G CA -0.790 44.276 45.100 -0.057 0.000 0.883 131 G HN 0.479 nan 8.290 nan 0.000 0.570 132 P HA 0.602 nan 4.420 nan 0.000 0.278 132 P C -0.652 176.633 177.300 -0.025 0.000 1.266 132 P CA -0.470 62.642 63.100 0.021 0.000 0.807 132 P CB 0.522 32.287 31.700 0.109 0.000 1.094 133 F N -0.035 119.984 119.950 0.115 0.000 2.410 133 F HA 0.350 4.878 4.527 0.001 0.000 0.348 133 F C 0.797 176.690 175.800 0.155 0.000 1.106 133 F CA -0.048 58.038 58.000 0.144 0.000 1.163 133 F CB 0.505 39.569 39.000 0.107 0.000 1.129 133 F HN -0.020 nan 8.300 nan 0.000 0.516 134 L N 1.657 123.097 121.223 0.362 0.000 2.301 134 L HA 0.579 4.919 4.340 0.001 0.000 0.264 134 L C 0.079 177.099 176.870 0.251 0.000 1.016 134 L CA -1.174 53.810 54.840 0.240 0.000 0.821 134 L CB 2.296 44.447 42.059 0.153 0.000 1.346 134 L HN 0.600 nan 8.230 nan 0.000 0.429 135 T N -3.629 110.998 114.554 0.121 0.000 2.868 135 T HA 0.075 4.425 4.350 0.001 0.000 0.292 135 T C 0.846 175.487 174.700 -0.097 0.000 1.028 135 T CA -0.507 61.648 62.100 0.092 0.000 1.059 135 T CB 1.471 70.359 68.868 0.034 0.000 0.991 135 T HN 0.778 nan 8.240 nan 0.000 0.531 136 E N 0.858 120.943 120.200 -0.191 0.000 2.130 136 E HA -0.225 4.125 4.350 0.001 0.000 0.196 136 E C 2.254 178.562 176.600 -0.487 0.000 0.998 136 E CA 1.257 57.256 56.400 -0.669 0.000 0.806 136 E CB -0.503 28.948 29.700 -0.415 0.000 0.738 136 E HN 0.818 nan 8.360 nan 0.000 0.459 137 A N 1.175 123.839 122.820 -0.260 0.000 1.865 137 A HA -0.252 4.069 4.320 0.001 0.000 0.217 137 A C 1.923 179.369 177.584 -0.230 0.000 1.191 137 A CA 1.846 53.760 52.037 -0.205 0.000 0.623 137 A CB -0.561 18.369 19.000 -0.116 0.000 0.826 137 A HN 0.346 nan 8.150 nan 0.000 0.444 138 E N -0.253 119.825 120.200 -0.204 0.000 2.150 138 E HA -0.049 4.301 4.350 0.001 0.000 0.193 138 E C 2.272 178.653 176.600 -0.366 0.000 0.985 138 E CA 0.776 57.057 56.400 -0.198 0.000 0.814 138 E CB -0.299 29.338 29.700 -0.105 0.000 0.752 138 E HN 0.620 nan 8.360 nan 0.000 0.466 139 A N 1.923 124.428 122.820 -0.524 0.000 1.902 139 A HA -0.245 4.075 4.320 0.001 0.000 0.217 139 A C 1.970 179.051 177.584 -0.838 0.000 1.181 139 A CA 1.578 53.040 52.037 -0.959 0.000 0.623 139 A CB -0.292 18.140 19.000 -0.947 0.000 0.818 139 A HN 0.054 nan 8.150 nan 0.000 0.443 140 K N -0.804 119.264 120.400 -0.553 0.000 2.057 140 K HA -0.159 4.161 4.320 0.001 0.000 0.207 140 K C 2.084 178.523 176.600 -0.267 0.000 1.049 140 K CA 1.467 57.533 56.287 -0.369 0.000 0.931 140 K CB -0.115 32.215 32.500 -0.284 0.000 0.714 140 K HN 0.452 nan 8.250 nan 0.000 0.440 141 E N 0.726 120.778 120.200 -0.246 0.000 2.118 141 E HA -0.154 4.197 4.350 0.001 0.000 0.195 141 E C 1.617 178.138 176.600 -0.133 0.000 0.992 141 E CA 1.494 57.800 56.400 -0.157 0.000 0.804 141 E CB -0.008 29.615 29.700 -0.128 0.000 0.741 141 E HN 0.342 nan 8.360 nan 0.000 0.458 142 A N -0.088 122.608 122.820 -0.207 0.000 2.044 142 A HA 0.069 4.389 4.320 0.001 0.000 0.213 142 A C 2.037 179.636 177.584 0.024 0.000 1.169 142 A CA 0.776 52.768 52.037 -0.076 0.000 0.724 142 A CB -0.336 18.653 19.000 -0.018 0.000 0.840 142 A HN 0.315 nan 8.150 nan 0.000 0.463 143 M N 0.148 119.666 119.600 -0.137 0.000 2.080 143 M HA -0.189 4.291 4.480 0.001 0.000 0.260 143 M C 1.639 177.977 176.300 0.062 0.000 1.068 143 M CA 1.801 57.133 55.300 0.053 0.000 1.109 143 M CB -0.867 31.680 32.600 -0.087 0.000 1.342 143 M HN 0.481 nan 8.290 nan 0.000 0.405 144 Q N -0.548 119.249 119.800 -0.005 0.000 2.541 144 Q HA 0.004 4.345 4.340 0.001 0.000 0.215 144 Q C 1.548 177.561 176.000 0.022 0.000 0.977 144 Q CA 1.005 56.810 55.803 0.004 0.000 0.934 144 Q CB -0.242 28.483 28.738 -0.021 0.000 0.988 144 Q HN 0.654 nan 8.270 nan 0.000 0.521 145 A N 0.129 122.975 122.820 0.042 0.000 2.238 145 A HA 0.298 4.618 4.320 0.001 0.000 0.208 145 A C 1.252 178.869 177.584 0.055 0.000 1.177 145 A CA 0.797 52.862 52.037 0.046 0.000 0.804 145 A CB 0.040 19.075 19.000 0.057 0.000 0.823 145 A HN 0.381 nan 8.150 nan 0.000 0.482 146 G N -2.136 106.704 108.800 0.067 0.000 2.226 146 G HA2 0.331 4.291 3.960 0.001 0.000 0.176 146 G HA3 0.331 4.291 3.960 0.001 0.000 0.176 146 G C -0.072 174.874 174.900 0.076 0.000 1.042 146 G CA -0.017 45.119 45.100 0.060 0.000 0.732 146 G HN 1.627 nan 8.290 nan 0.000 0.494 147 A N -0.383 122.513 122.820 0.126 0.000 2.475 147 A HA 0.903 5.223 4.320 0.001 0.000 0.301 147 A C -0.339 177.366 177.584 0.201 0.000 1.059 147 A CA -0.738 51.377 52.037 0.129 0.000 0.710 147 A CB 1.494 20.602 19.000 0.180 0.000 1.288 147 A HN 0.741 nan 8.150 nan 0.000 0.408 148 I N 1.037 121.644 120.570 0.061 0.000 2.460 148 I HA 0.558 4.729 4.170 0.001 0.000 0.298 148 I C -1.188 174.929 176.117 0.001 0.000 0.989 148 I CA -0.345 61.034 61.300 0.132 0.000 1.173 148 I CB 1.589 39.629 38.000 0.066 0.000 1.338 148 I HN 0.546 nan 8.210 nan 0.000 0.456 149 F N 3.955 123.982 119.950 0.129 0.000 2.577 149 F HA 0.579 5.107 4.527 0.001 0.000 0.318 149 F C -0.122 175.876 175.800 0.330 0.000 1.065 149 F CA -0.808 57.324 58.000 0.219 0.000 0.929 149 F CB 1.920 41.076 39.000 0.260 0.000 1.237 149 F HN 0.177 nan 8.300 nan 0.000 0.468 150 K N 1.060 121.700 120.400 0.401 0.000 2.422 150 K HA 0.311 4.632 4.320 0.001 0.000 0.251 150 K C -1.183 175.350 176.600 -0.110 0.000 0.933 150 K CA -0.952 55.425 56.287 0.150 0.000 0.798 150 K CB 2.981 35.501 32.500 0.033 0.000 1.238 150 K HN 0.669 nan 8.250 nan 0.000 0.428 151 E N 1.948 121.758 120.200 -0.651 0.000 2.313 151 E HA 0.084 4.435 4.350 0.001 0.000 0.272 151 E C -1.012 175.349 176.600 -0.398 0.000 1.038 151 E CA -0.398 55.435 56.400 -0.945 0.000 0.863 151 E CB 0.867 29.537 29.700 -1.717 0.000 1.060 151 E HN 0.394 nan 8.360 nan 0.000 0.402 152 D N 3.346 123.610 120.400 -0.227 0.000 2.464 152 D HA 0.195 4.836 4.640 0.001 0.000 0.243 152 D C -0.807 175.453 176.300 -0.067 0.000 1.104 152 D CA -0.287 53.685 54.000 -0.046 0.000 0.883 152 D CB 1.387 42.295 40.800 0.180 0.000 1.050 152 D HN 0.543 nan 8.370 nan 0.000 0.524 153 A N 1.569 124.331 122.820 -0.097 0.000 2.550 153 A HA 0.352 4.672 4.320 0.001 0.000 0.263 153 A C 1.447 179.001 177.584 -0.049 0.000 1.065 153 A CA 1.189 53.182 52.037 -0.074 0.000 0.786 153 A CB -0.191 18.774 19.000 -0.058 0.000 0.985 153 A HN 0.834 nan 8.150 nan 0.000 0.518 154 G N 1.977 110.749 108.800 -0.047 0.000 2.541 154 G HA2 -0.196 3.764 3.960 0.001 0.000 0.201 154 G HA3 -0.196 3.764 3.960 0.001 0.000 0.201 154 G C 1.075 175.918 174.900 -0.095 0.000 1.026 154 G CA 0.504 45.569 45.100 -0.058 0.000 0.687 154 G HN 0.861 nan 8.290 nan 0.000 0.492 155 R N 0.347 120.769 120.500 -0.131 0.000 2.435 155 R HA 0.512 4.853 4.340 0.001 0.000 0.221 155 R C 1.084 177.351 176.300 -0.056 0.000 0.885 155 R CA 1.597 57.534 56.100 -0.271 0.000 1.018 155 R CB 0.843 30.668 30.300 -0.792 0.000 1.259 155 R HN 1.463 nan 8.270 nan 0.000 0.597 156 G N -0.467 108.431 108.800 0.163 0.000 2.302 156 G HA2 -0.022 3.938 3.960 0.001 0.000 0.264 156 G HA3 -0.022 3.938 3.960 0.001 0.000 0.264 156 G C -2.005 173.102 174.900 0.345 0.000 1.335 156 G CA -0.767 44.553 45.100 0.368 0.000 0.982 156 G HN 0.078 nan 8.290 nan 0.000 0.473 157 W N 0.291 121.752 121.300 0.268 0.000 2.639 157 W HA 0.880 5.540 4.660 0.000 0.000 0.347 157 W C 0.516 177.147 176.519 0.187 0.000 1.067 157 W CA -0.584 56.893 57.345 0.219 0.000 1.218 157 W CB 1.752 31.328 29.460 0.192 0.000 1.393 157 W HN 0.623 nan 8.180 nan 0.000 0.557 158 R N 0.980 121.681 120.500 0.334 0.000 2.771 158 R HA 0.345 4.685 4.340 0.001 0.000 0.274 158 R C -0.789 175.483 176.300 -0.048 0.000 0.987 158 R CA -1.327 54.821 56.100 0.079 0.000 0.908 158 R CB 2.248 32.406 30.300 -0.236 0.000 1.213 158 R HN 0.341 nan 8.270 nan 0.000 0.468 159 K N 1.959 122.126 120.400 -0.389 0.000 2.368 159 K HA 0.213 4.533 4.320 0.001 0.000 0.282 159 K C -0.305 176.048 176.600 -0.411 0.000 1.035 159 K CA -0.379 55.381 56.287 -0.878 0.000 0.973 159 K CB 0.648 32.688 32.500 -0.768 0.000 0.957 159 K HN 0.450 nan 8.250 nan 0.000 0.474 160 V N 1.575 121.285 119.914 -0.340 0.000 2.532 160 V HA 0.649 4.769 4.120 0.001 0.000 0.295 160 V C -0.331 175.670 176.094 -0.155 0.000 1.041 160 V CA -0.840 61.353 62.300 -0.178 0.000 0.926 160 V CB 1.527 33.292 31.823 -0.097 0.000 0.992 160 V HN 0.519 nan 8.190 nan 0.000 0.457 161 V N 4.322 124.165 119.914 -0.120 0.000 3.040 161 V HA 0.613 4.734 4.120 0.001 0.000 0.312 161 V C -2.415 173.614 176.094 -0.108 0.000 1.115 161 V CA -2.096 60.143 62.300 -0.101 0.000 0.998 161 V CB 3.233 35.001 31.823 -0.092 0.000 1.042 161 V HN 0.956 nan 8.190 nan 0.000 0.433 162 P HA 0.180 nan 4.420 nan 0.000 0.271 162 P C -0.802 176.339 177.300 -0.265 0.000 1.216 162 P CA -0.073 62.893 63.100 -0.224 0.000 0.771 162 P CB 0.888 32.400 31.700 -0.314 0.000 0.864 163 S N 4.652 120.198 115.700 -0.256 0.000 2.252 163 S HA 0.303 4.773 4.470 0.001 0.000 0.180 163 S C -1.965 172.475 174.600 -0.266 0.000 1.534 163 S CA -1.133 56.940 58.200 -0.212 0.000 1.141 163 S CB 0.139 63.267 63.200 -0.121 0.000 1.122 163 S HN 0.454 nan 8.310 nan 0.000 0.475 164 P HA 0.182 nan 4.420 nan 0.000 0.272 164 P C -0.533 176.658 177.300 -0.181 0.000 1.230 164 P CA -0.477 62.432 63.100 -0.317 0.000 0.788 164 P CB 0.690 32.163 31.700 -0.379 0.000 0.949 165 K N 1.715 122.020 120.400 -0.157 0.000 2.218 165 K HA 0.343 4.663 4.320 0.001 0.000 0.276 165 K C -2.228 174.337 176.600 -0.057 0.000 1.022 165 K CA -1.797 54.400 56.287 -0.150 0.000 0.946 165 K CB -0.391 31.995 32.500 -0.190 0.000 1.000 165 K HN 0.324 nan 8.250 nan 0.000 0.468 166 P HA 0.155 nan 4.420 nan 0.000 0.276 166 P C 0.360 177.674 177.300 0.023 0.000 1.230 166 P CA -0.183 62.929 63.100 0.020 0.000 0.776 166 P CB 0.608 32.338 31.700 0.049 0.000 0.888 167 I N 0.621 121.209 120.570 0.029 0.000 3.718 167 I HA 0.262 4.432 4.170 0.001 0.000 0.297 167 I C 0.328 176.466 176.117 0.036 0.000 1.220 167 I CA 1.237 62.556 61.300 0.030 0.000 1.381 167 I CB -0.146 37.873 38.000 0.031 0.000 1.238 167 I HN 0.336 nan 8.210 nan 0.000 0.448 168 D N -0.110 120.314 120.400 0.041 0.000 2.706 168 D HA 0.399 5.039 4.640 0.001 0.000 0.225 168 D C -1.172 175.159 176.300 0.051 0.000 1.241 168 D CA -0.268 53.758 54.000 0.043 0.000 0.784 168 D CB 2.314 43.141 40.800 0.045 0.000 1.521 168 D HN -0.153 nan 8.370 nan 0.000 0.461 169 I N 3.747 124.344 120.570 0.044 0.000 2.359 169 I HA 0.124 4.294 4.170 0.001 0.000 0.284 169 I C 1.695 177.848 176.117 0.059 0.000 1.018 169 I CA -0.670 60.659 61.300 0.050 0.000 1.173 169 I CB 1.480 39.495 38.000 0.026 0.000 1.326 169 I HN 0.495 nan 8.210 nan 0.000 0.462 170 H N 5.020 124.093 119.070 0.004 0.000 2.353 170 H HA -0.160 4.396 4.556 0.000 0.000 0.298 170 H C 0.864 176.193 175.328 0.002 0.000 1.103 170 H CA 1.916 57.966 56.048 0.003 0.000 1.293 170 H CB 0.601 30.364 29.762 0.002 0.000 1.372 170 H HN 0.588 nan 8.280 nan 0.000 0.501 171 E N -0.021 120.202 120.200 0.038 0.000 2.445 171 E HA 0.138 4.488 4.350 0.001 0.000 0.189 171 E C 1.808 178.388 176.600 -0.034 0.000 1.069 171 E CA 0.422 56.817 56.400 -0.009 0.000 0.871 171 E CB 0.137 29.869 29.700 0.053 0.000 0.991 171 E HN 0.456 nan 8.360 nan 0.000 0.481 172 A N 1.045 123.841 122.820 -0.041 0.000 1.927 172 A HA -0.326 3.994 4.320 0.001 0.000 0.220 172 A C 1.898 179.462 177.584 -0.033 0.000 1.185 172 A CA 1.807 53.827 52.037 -0.028 0.000 0.639 172 A CB -0.321 18.666 19.000 -0.022 0.000 0.820 172 A HN 0.296 nan 8.150 nan 0.000 0.451 173 E N -1.007 119.160 120.200 -0.057 0.000 2.051 173 E HA -0.141 4.209 4.350 0.001 0.000 0.192 173 E C 2.143 178.724 176.600 -0.031 0.000 0.991 173 E CA 1.643 58.016 56.400 -0.046 0.000 0.799 173 E CB -0.448 29.213 29.700 -0.064 0.000 0.748 173 E HN 0.639 nan 8.360 nan 0.000 0.449 174 T N 1.665 116.199 114.554 -0.033 0.000 2.684 174 T HA -0.149 4.201 4.350 0.001 0.000 0.267 174 T C 2.037 176.733 174.700 -0.007 0.000 1.036 174 T CA 1.018 63.109 62.100 -0.016 0.000 1.148 174 T CB -0.254 68.609 68.868 -0.009 0.000 0.863 174 T HN 0.100 nan 8.240 nan 0.000 0.436 175 I N 1.466 122.032 120.570 -0.006 0.000 2.127 175 I HA -0.222 3.948 4.170 0.001 0.000 0.241 175 I C 2.755 178.872 176.117 -0.000 0.000 1.075 175 I CA 1.076 62.376 61.300 -0.000 0.000 1.334 175 I CB -0.437 37.563 38.000 -0.001 0.000 1.040 175 I HN 0.209 nan 8.210 nan 0.000 0.405 176 N N 0.511 119.209 118.700 -0.003 0.000 2.094 176 N HA -0.171 4.570 4.740 0.001 0.000 0.191 176 N C 1.814 177.325 175.510 0.001 0.000 1.023 176 N CA 2.075 55.125 53.050 -0.000 0.000 0.857 176 N CB -0.209 38.276 38.487 -0.002 0.000 1.013 176 N HN 0.326 nan 8.380 nan 0.000 0.426 177 T N 1.951 116.504 114.554 -0.002 0.000 2.684 177 T HA -0.076 4.275 4.350 0.001 0.000 0.267 177 T C 2.118 176.820 174.700 0.003 0.000 1.036 177 T CA 0.767 62.866 62.100 -0.000 0.000 1.148 177 T CB -0.228 68.638 68.868 -0.003 0.000 0.863 177 T HN 0.195 nan 8.240 nan 0.000 0.436 178 L N 0.217 121.442 121.223 0.004 0.000 2.083 178 L HA -0.065 4.276 4.340 0.001 0.000 0.209 178 L C 2.461 179.336 176.870 0.009 0.000 1.083 178 L CA 1.210 56.054 54.840 0.007 0.000 0.752 178 L CB -0.590 41.475 42.059 0.009 0.000 0.899 178 L HN 0.296 nan 8.230 nan 0.000 0.433 179 I N -0.221 120.354 120.570 0.008 0.000 2.226 179 I HA -0.293 3.878 4.170 0.001 0.000 0.245 179 I C 2.402 178.525 176.117 0.010 0.000 1.100 179 I CA 1.380 62.686 61.300 0.010 0.000 1.374 179 I CB -0.307 37.699 38.000 0.010 0.000 1.057 179 I HN 0.206 nan 8.210 nan 0.000 0.413 180 K N 0.612 121.018 120.400 0.008 0.000 2.280 180 K HA -0.097 4.223 4.320 0.001 0.000 0.202 180 K C 1.146 177.751 176.600 0.008 0.000 1.047 180 K CA 0.886 57.177 56.287 0.008 0.000 0.942 180 K CB -0.200 32.304 32.500 0.006 0.000 0.739 180 K HN 0.392 nan 8.250 nan 0.000 0.457 181 N N 1.450 120.155 118.700 0.008 0.000 2.276 181 N HA -0.062 4.678 4.740 0.001 0.000 0.212 181 N C -0.711 174.804 175.510 0.009 0.000 1.127 181 N CA 0.252 53.306 53.050 0.007 0.000 0.834 181 N CB 0.424 38.916 38.487 0.007 0.000 1.014 181 N HN 0.099 nan 8.380 nan 0.000 0.491 182 D N 0.867 121.273 120.400 0.010 0.000 2.723 182 D HA -0.171 4.469 4.640 0.001 0.000 0.236 182 D C -0.891 175.417 176.300 0.012 0.000 1.138 182 D CA 0.596 54.602 54.000 0.011 0.000 0.676 182 D CB -1.331 39.475 40.800 0.009 0.000 1.069 182 D HN 0.359 nan 8.370 nan 0.000 0.430 183 I N 0.852 121.430 120.570 0.013 0.000 2.404 183 I HA 0.324 4.494 4.170 0.001 0.000 0.293 183 I C 0.893 177.020 176.117 0.017 0.000 0.992 183 I CA -1.133 60.176 61.300 0.015 0.000 1.149 183 I CB 1.501 39.509 38.000 0.014 0.000 1.315 183 I HN -0.019 nan 8.210 nan 0.000 0.446 184 I N 5.939 126.521 120.570 0.020 0.000 2.483 184 I HA 0.030 4.201 4.170 0.001 0.000 0.291 184 I C 0.675 176.807 176.117 0.025 0.000 1.112 184 I CA 0.105 61.419 61.300 0.023 0.000 1.350 184 I CB -0.006 38.009 38.000 0.025 0.000 1.419 184 I HN 0.608 nan 8.210 nan 0.000 0.523 185 T N 4.758 119.326 114.554 0.023 0.000 2.882 185 T HA 0.684 5.034 4.350 0.001 0.000 0.287 185 T C -0.294 174.426 174.700 0.032 0.000 0.992 185 T CA -0.679 61.436 62.100 0.025 0.000 1.076 185 T CB 1.745 70.624 68.868 0.017 0.000 0.961 185 T HN 0.320 nan 8.240 nan 0.000 0.490 186 I N 2.981 123.577 120.570 0.043 0.000 2.410 186 I HA 0.458 4.628 4.170 0.001 0.000 0.286 186 I C 0.053 176.204 176.117 0.057 0.000 1.009 186 I CA -0.557 60.784 61.300 0.068 0.000 1.111 186 I CB 1.634 39.690 38.000 0.093 0.000 1.262 186 I HN 0.963 nan 8.210 nan 0.000 0.443 187 S N 2.409 118.128 115.700 0.032 0.000 2.685 187 S HA 0.453 4.923 4.470 0.001 0.000 0.282 187 S C -0.003 174.562 174.600 -0.059 0.000 1.159 187 S CA -0.793 57.405 58.200 -0.002 0.000 0.833 187 S CB 1.836 65.035 63.200 -0.002 0.000 1.151 187 S HN 0.743 nan 8.310 nan 0.000 0.485 188 C N 0.505 119.764 119.300 -0.069 0.000 4.365 188 C HA -0.020 4.440 4.460 0.001 0.000 0.299 188 C C 1.204 176.055 174.990 -0.231 0.000 1.409 188 C CA 0.259 59.213 59.018 -0.106 0.000 2.007 188 C CB -2.513 25.176 27.740 -0.085 0.000 1.264 188 C HN 1.369 nan 8.230 nan 0.000 0.777 189 G N -0.270 108.363 108.800 -0.278 0.000 2.272 189 G HA2 0.476 4.437 3.960 0.001 0.000 0.247 189 G HA3 0.476 4.437 3.960 0.001 0.000 0.247 189 G C 1.092 175.774 174.900 -0.363 0.000 1.272 189 G CA 0.683 45.427 45.100 -0.592 0.000 0.921 189 G HN 2.246 nan 8.290 nan 0.000 0.495 190 G N 0.947 109.497 108.800 -0.416 0.000 2.198 190 G HA2 0.163 4.124 3.960 0.001 0.000 0.260 190 G HA3 0.163 4.124 3.960 0.001 0.000 0.260 190 G C 1.444 176.277 174.900 -0.112 0.000 1.025 190 G CA 0.961 45.973 45.100 -0.146 0.000 0.769 190 G HN 2.575 nan 8.290 nan 0.000 0.507 191 G N -1.962 106.754 108.800 -0.141 0.000 2.179 191 G HA2 0.418 4.379 3.960 0.001 0.000 0.260 191 G HA3 0.418 4.379 3.960 0.001 0.000 0.260 191 G C 1.626 176.489 174.900 -0.062 0.000 0.977 191 G CA 0.787 45.840 45.100 -0.079 0.000 0.641 191 G HN 2.998 nan 8.290 nan 0.000 0.533 192 G N -0.919 107.834 108.800 -0.078 0.000 2.712 192 G HA2 0.146 4.106 3.960 0.001 0.000 0.686 192 G HA3 0.146 4.106 3.960 0.001 0.000 0.686 192 G C -0.158 174.726 174.900 -0.028 0.000 1.181 192 G CA -0.308 44.764 45.100 -0.047 0.000 0.762 192 G HN 1.287 nan 8.290 nan 0.000 0.641 193 I N 3.506 124.065 120.570 -0.019 0.000 2.671 193 I HA 0.137 4.307 4.170 0.001 0.000 0.285 193 I C -1.255 174.863 176.117 0.001 0.000 1.148 193 I CA -1.107 60.186 61.300 -0.011 0.000 1.386 193 I CB 0.576 38.568 38.000 -0.013 0.000 1.406 193 I HN 0.279 nan 8.210 nan 0.000 0.540 194 P HA 0.039 nan 4.420 nan 0.000 0.264 194 P C -0.488 176.839 177.300 0.044 0.000 1.229 194 P CA 0.323 63.445 63.100 0.037 0.000 0.780 194 P CB 1.154 32.886 31.700 0.053 0.000 0.808 195 V N 5.157 125.094 119.914 0.040 0.000 2.914 195 V HA 0.485 4.605 4.120 0.001 0.000 0.314 195 V C -0.207 175.905 176.094 0.031 0.000 1.084 195 V CA -0.851 61.461 62.300 0.019 0.000 0.963 195 V CB 2.912 34.728 31.823 -0.012 0.000 1.025 195 V HN 0.236 nan 8.190 nan 0.000 0.432 196 V N 3.044 122.963 119.914 0.008 0.000 2.841 196 V HA 0.955 5.075 4.120 0.001 0.000 0.310 196 V C 0.326 176.413 176.094 -0.013 0.000 1.090 196 V CA 0.334 62.636 62.300 0.003 0.000 0.930 196 V CB 1.449 33.257 31.823 -0.024 0.000 1.014 196 V HN 1.492 nan 8.190 nan 0.000 0.425 197 G N 2.786 111.582 108.800 -0.006 0.000 2.855 197 G HA2 -0.229 3.731 3.960 0.001 0.000 0.352 197 G HA3 -0.229 3.731 3.960 0.001 0.000 0.352 197 G C 0.470 175.369 174.900 -0.002 0.000 1.415 197 G CA 0.729 45.824 45.100 -0.008 0.000 0.871 197 G HN 0.926 nan 8.290 nan 0.000 0.543 198 Q N -0.465 119.336 119.800 0.001 0.000 2.167 198 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 198 Q C 2.147 178.145 176.000 -0.004 0.000 0.970 198 Q CA 2.235 58.043 55.803 0.008 0.000 0.855 198 Q CB -0.086 28.657 28.738 0.008 0.000 0.911 198 Q HN 0.673 nan 8.270 nan 0.000 0.438 199 E N 0.300 120.490 120.200 -0.017 0.000 2.427 199 E HA 0.048 4.398 4.350 0.001 0.000 0.196 199 E C 0.157 176.727 176.600 -0.049 0.000 1.028 199 E CA 0.292 56.675 56.400 -0.029 0.000 0.864 199 E CB 0.034 29.718 29.700 -0.027 0.000 0.813 199 E HN 0.330 nan 8.360 nan 0.000 0.514 200 L N 0.569 121.763 121.223 -0.049 0.000 3.533 200 L HA -0.272 4.068 4.340 0.001 0.000 0.477 200 L C -0.640 176.197 176.870 -0.055 0.000 1.306 200 L CA 0.202 55.002 54.840 -0.067 0.000 0.850 200 L CB -1.539 40.436 42.059 -0.141 0.000 1.654 200 L HN 0.160 nan 8.230 nan 0.000 0.863 201 K N 1.126 121.501 120.400 -0.040 0.000 2.383 201 K HA 0.359 4.679 4.320 0.001 0.000 0.286 201 K C 1.064 177.647 176.600 -0.028 0.000 1.051 201 K CA 0.421 56.686 56.287 -0.037 0.000 0.974 201 K CB 0.768 33.244 32.500 -0.040 0.000 0.968 201 K HN 0.309 nan 8.250 nan 0.000 0.475 202 G N 1.868 110.654 108.800 -0.024 0.000 2.398 202 G HA2 0.318 4.278 3.960 0.001 0.000 0.246 202 G HA3 0.318 4.278 3.960 0.001 0.000 0.246 202 G C -0.083 174.818 174.900 0.001 0.000 1.289 202 G CA -0.524 44.570 45.100 -0.009 0.000 0.869 202 G HN 0.427 nan 8.290 nan 0.000 0.543 203 V N 0.081 120.015 119.914 0.033 0.000 3.046 203 V HA 0.673 4.793 4.120 0.001 0.000 0.316 203 V C -0.229 175.923 176.094 0.098 0.000 1.104 203 V CA -1.461 60.878 62.300 0.064 0.000 1.006 203 V CB 2.131 34.020 31.823 0.110 0.000 1.058 203 V HN 0.683 nan 8.190 nan 0.000 0.440 204 E N 1.211 121.482 120.200 0.119 0.000 2.052 204 E HA 0.697 5.047 4.350 0.001 0.000 0.283 204 E C -0.175 176.502 176.600 0.128 0.000 1.071 204 E CA 0.467 56.924 56.400 0.095 0.000 0.851 204 E CB 0.610 30.352 29.700 0.070 0.000 1.066 204 E HN 1.285 nan 8.360 nan 0.000 0.396 205 A N 2.512 125.367 122.820 0.060 0.000 2.490 205 A HA 0.528 4.848 4.320 0.001 0.000 0.292 205 A C -1.707 175.855 177.584 -0.036 0.000 1.047 205 A CA -0.690 51.338 52.037 -0.014 0.000 0.632 205 A CB 1.333 20.289 19.000 -0.074 0.000 1.323 205 A HN 0.272 nan 8.150 nan 0.000 0.448 206 V N 1.382 121.253 119.914 -0.073 0.000 2.524 206 V HA 0.391 4.511 4.120 0.001 0.000 0.297 206 V C -0.473 175.581 176.094 -0.067 0.000 1.035 206 V CA -0.167 62.098 62.300 -0.057 0.000 0.867 206 V CB 1.366 33.159 31.823 -0.051 0.000 1.004 206 V HN 0.703 nan 8.190 nan 0.000 0.426 207 I N 2.827 123.367 120.570 -0.050 0.000 2.581 207 I HA 0.255 4.425 4.170 0.001 0.000 0.288 207 I C 0.378 176.491 176.117 -0.006 0.000 1.047 207 I CA -0.205 61.074 61.300 -0.036 0.000 1.374 207 I CB 0.818 38.806 38.000 -0.021 0.000 1.423 207 I HN 0.569 nan 8.210 nan 0.000 0.549 208 D N 4.575 125.000 120.400 0.042 0.000 2.383 208 D HA 0.008 4.649 4.640 0.001 0.000 0.252 208 D C 1.208 177.540 176.300 0.053 0.000 1.166 208 D CA -0.194 53.853 54.000 0.079 0.000 0.879 208 D CB 1.014 41.941 40.800 0.213 0.000 1.164 208 D HN 0.552 nan 8.370 nan 0.000 0.462 209 K N 3.036 123.431 120.400 -0.007 0.000 2.074 209 K HA -0.240 4.080 4.320 0.001 0.000 0.209 209 K C 0.831 177.387 176.600 -0.074 0.000 1.048 209 K CA 1.375 57.633 56.287 -0.049 0.000 0.926 209 K CB -0.141 32.325 32.500 -0.056 0.000 0.713 209 K HN 0.341 nan 8.250 nan 0.000 0.444 210 D N 0.604 120.932 120.400 -0.120 0.000 2.104 210 D HA -0.145 4.496 4.640 0.001 0.000 0.194 210 D C 1.887 178.002 176.300 -0.309 0.000 0.994 210 D CA 1.253 55.097 54.000 -0.260 0.000 0.830 210 D CB -0.355 40.213 40.800 -0.388 0.000 0.959 210 D HN 0.240 nan 8.370 nan 0.000 0.452 211 F N 1.203 121.121 119.950 -0.053 0.000 2.325 211 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 211 F C 2.451 178.226 175.800 -0.042 0.000 1.090 211 F CA 0.550 58.525 58.000 -0.041 0.000 1.392 211 F CB -0.481 38.498 39.000 -0.035 0.000 1.053 211 F HN -0.091 nan 8.300 nan 0.000 0.521 212 A N -0.679 122.198 122.820 0.094 0.000 1.897 212 A HA -0.117 4.203 4.320 0.001 0.000 0.215 212 A C 2.380 179.955 177.584 -0.014 0.000 1.181 212 A CA 1.809 53.866 52.037 0.033 0.000 0.620 212 A CB -1.015 17.982 19.000 -0.004 0.000 0.821 212 A HN 0.260 nan 8.150 nan 0.000 0.443 213 S N -0.268 115.395 115.700 -0.062 0.000 2.382 213 S HA -0.157 4.313 4.470 0.001 0.000 0.228 213 S C 1.964 176.486 174.600 -0.129 0.000 1.027 213 S CA 1.222 59.359 58.200 -0.105 0.000 0.991 213 S CB -0.274 62.842 63.200 -0.141 0.000 0.823 213 S HN 0.626 nan 8.310 nan 0.000 0.469 214 E N 1.588 121.720 120.200 -0.113 0.000 2.077 214 E HA -0.163 4.187 4.350 0.001 0.000 0.193 214 E C 1.893 178.508 176.600 0.024 0.000 0.989 214 E CA 1.050 57.399 56.400 -0.084 0.000 0.800 214 E CB -0.072 29.623 29.700 -0.009 0.000 0.746 214 E HN 0.180 nan 8.360 nan 0.000 0.452 215 K N 0.603 121.033 120.400 0.050 0.000 2.057 215 K HA -0.121 4.199 4.320 0.001 0.000 0.206 215 K C 2.274 178.898 176.600 0.039 0.000 1.050 215 K CA 0.414 56.739 56.287 0.064 0.000 0.935 215 K CB -0.687 31.849 32.500 0.060 0.000 0.715 215 K HN 0.159 nan 8.250 nan 0.000 0.439 216 L N 1.150 122.374 121.223 0.002 0.000 2.012 216 L HA -0.144 4.196 4.340 0.001 0.000 0.210 216 L C 2.175 179.042 176.870 -0.006 0.000 1.073 216 L CA 2.155 56.989 54.840 -0.010 0.000 0.748 216 L CB -0.922 41.114 42.059 -0.037 0.000 0.891 216 L HN 0.153 nan 8.230 nan 0.000 0.431 217 A N -0.949 121.842 122.820 -0.047 0.000 1.917 217 A HA -0.262 4.058 4.320 0.001 0.000 0.219 217 A C 2.141 179.821 177.584 0.161 0.000 1.182 217 A CA 2.036 54.048 52.037 -0.041 0.000 0.633 217 A CB -0.643 18.125 19.000 -0.388 0.000 0.819 217 A HN 0.648 nan 8.150 nan 0.000 0.448 218 E N -0.232 120.079 120.200 0.185 0.000 2.006 218 E HA -0.135 4.216 4.350 0.001 0.000 0.192 218 E C 1.958 178.616 176.600 0.096 0.000 0.993 218 E CA 1.290 57.796 56.400 0.176 0.000 0.808 218 E CB -0.367 29.417 29.700 0.140 0.000 0.764 218 E HN 0.613 nan 8.360 nan 0.000 0.449 219 L N 0.736 121.998 121.223 0.064 0.000 2.187 219 L HA -0.151 4.190 4.340 0.001 0.000 0.213 219 L C 2.277 179.165 176.870 0.031 0.000 1.100 219 L CA 0.491 55.353 54.840 0.037 0.000 0.765 219 L CB -0.199 41.874 42.059 0.024 0.000 0.904 219 L HN 0.035 nan 8.230 nan 0.000 0.437 220 V N -1.080 118.856 119.914 0.037 0.000 3.590 220 V HA -0.062 4.058 4.120 0.001 0.000 0.265 220 V C 0.438 176.559 176.094 0.044 0.000 1.239 220 V CA 0.621 62.938 62.300 0.029 0.000 1.117 220 V CB -0.318 31.514 31.823 0.015 0.000 0.818 220 V HN 0.615 nan 8.190 nan 0.000 0.451 221 D N 0.224 120.666 120.400 0.071 0.000 2.705 221 D HA -0.161 4.479 4.640 0.001 0.000 0.240 221 D C 0.246 176.604 176.300 0.095 0.000 1.137 221 D CA 0.636 54.685 54.000 0.083 0.000 0.677 221 D CB -0.753 40.075 40.800 0.046 0.000 1.049 221 D HN 0.607 nan 8.370 nan 0.000 0.427 222 A N 0.322 123.220 122.820 0.130 0.000 2.346 222 A HA 0.339 4.659 4.320 0.001 0.000 0.252 222 A C 1.288 178.987 177.584 0.193 0.000 1.089 222 A CA 0.181 52.282 52.037 0.107 0.000 0.797 222 A CB 0.516 19.532 19.000 0.027 0.000 1.047 222 A HN 0.330 nan 8.150 nan 0.000 0.494 223 D N -0.202 120.272 120.400 0.123 0.000 2.240 223 D HA 0.288 4.928 4.640 0.001 0.000 0.206 223 D C 0.535 176.956 176.300 0.203 0.000 0.963 223 D CA 1.702 55.780 54.000 0.130 0.000 0.863 223 D CB 0.230 41.061 40.800 0.052 0.000 0.973 223 D HN 0.672 nan 8.370 nan 0.000 0.501 224 A N 0.415 123.311 122.820 0.126 0.000 2.520 224 A HA 0.531 4.851 4.320 0.001 0.000 0.298 224 A C -1.716 175.757 177.584 -0.184 0.000 1.051 224 A CA -0.611 51.477 52.037 0.086 0.000 0.690 224 A CB 1.698 20.696 19.000 -0.004 0.000 1.281 224 A HN 0.060 nan 8.150 nan 0.000 0.402 225 L N 2.667 123.678 121.223 -0.352 0.000 2.280 225 L HA 0.673 5.013 4.340 0.001 0.000 0.287 225 L C -1.000 175.714 176.870 -0.260 0.000 1.023 225 L CA -0.278 54.246 54.840 -0.526 0.000 0.819 225 L CB 1.507 43.001 42.059 -0.942 0.000 1.212 225 L HN 0.419 nan 8.230 nan 0.000 0.420 226 V N 6.755 126.543 119.914 -0.210 0.000 2.333 226 V HA 0.400 4.520 4.120 0.001 0.000 0.274 226 V C 0.100 176.105 176.094 -0.148 0.000 1.028 226 V CA -0.529 61.681 62.300 -0.150 0.000 0.851 226 V CB 1.097 32.849 31.823 -0.118 0.000 1.000 226 V HN 0.493 nan 8.190 nan 0.000 0.456 227 I N 6.235 126.720 120.570 -0.142 0.000 2.321 227 I HA 0.391 4.561 4.170 0.001 0.000 0.291 227 I C 0.107 176.155 176.117 -0.115 0.000 0.998 227 I CA -0.345 60.871 61.300 -0.141 0.000 1.227 227 I CB 1.426 39.333 38.000 -0.156 0.000 1.368 227 I HN 0.402 nan 8.210 nan 0.000 0.466 228 L N 6.081 127.245 121.223 -0.099 0.000 2.375 228 L HA 0.536 4.876 4.340 0.001 0.000 0.271 228 L C 0.318 177.141 176.870 -0.078 0.000 1.107 228 L CA -0.050 54.739 54.840 -0.086 0.000 0.806 228 L CB 1.319 43.338 42.059 -0.067 0.000 1.146 228 L HN 0.608 nan 8.230 nan 0.000 0.447 229 T N 0.104 114.611 114.554 -0.079 0.000 2.868 229 T HA 0.237 4.587 4.350 0.001 0.000 0.306 229 T C 0.829 175.487 174.700 -0.071 0.000 1.224 229 T CA -0.153 61.906 62.100 -0.067 0.000 1.012 229 T CB 1.803 70.632 68.868 -0.065 0.000 1.221 229 T HN 0.739 nan 8.240 nan 0.000 0.499 230 G N 0.464 109.228 108.800 -0.060 0.000 2.509 230 G HA2 0.231 4.191 3.960 0.001 0.000 0.218 230 G HA3 0.231 4.191 3.960 0.001 0.000 0.218 230 G C 0.531 175.389 174.900 -0.069 0.000 1.124 230 G CA 0.925 45.988 45.100 -0.061 0.000 0.776 230 G HN 0.813 nan 8.290 nan 0.000 0.547 231 V N -1.760 118.113 119.914 -0.067 0.000 2.914 231 V HA 0.555 4.675 4.120 0.001 0.000 0.314 231 V C -1.247 174.806 176.094 -0.067 0.000 1.084 231 V CA -1.576 60.691 62.300 -0.055 0.000 0.963 231 V CB 2.201 34.003 31.823 -0.034 0.000 1.025 231 V HN 0.181 nan 8.190 nan 0.000 0.432 232 D N 1.861 122.217 120.400 -0.073 0.000 2.264 232 D HA 0.466 5.106 4.640 0.001 0.000 0.250 232 D C -0.913 175.354 176.300 -0.056 0.000 1.113 232 D CA -0.083 53.810 54.000 -0.179 0.000 0.871 232 D CB 0.973 41.614 40.800 -0.265 0.000 1.167 232 D HN 0.770 nan 8.370 nan 0.000 0.447 233 Y N -1.544 118.741 120.300 -0.025 0.000 2.551 233 Y HA -0.226 4.325 4.550 0.001 0.000 0.021 233 Y C -0.457 175.438 175.900 -0.008 0.000 1.753 233 Y CA -0.580 57.512 58.100 -0.013 0.000 1.389 233 Y CB -0.745 37.713 38.460 -0.004 0.000 2.037 233 Y HN 0.335 nan 8.280 nan 0.000 0.260 234 V N 3.090 123.106 119.914 0.171 0.000 2.461 234 V HA 0.309 4.429 4.120 0.001 0.000 0.275 234 V C 0.175 176.326 176.094 0.094 0.000 1.047 234 V CA -0.491 61.879 62.300 0.117 0.000 0.955 234 V CB 1.171 33.068 31.823 0.124 0.000 0.988 234 V HN 0.808 nan 8.190 nan 0.000 0.471 235 C N 7.181 126.529 119.300 0.079 0.000 2.258 235 C HA 0.523 4.984 4.460 0.001 0.000 0.321 235 C C 0.456 175.458 174.990 0.021 0.000 1.168 235 C CA -1.028 58.023 59.018 0.055 0.000 1.531 235 C CB -0.894 26.924 27.740 0.129 0.000 2.095 235 C HN 0.824 nan 8.230 nan 0.000 0.449 236 I N 0.769 121.276 120.570 -0.104 0.000 2.662 236 I HA 0.433 4.603 4.170 0.001 0.000 0.291 236 I C 0.262 176.348 176.117 -0.052 0.000 1.046 236 I CA 0.004 61.192 61.300 -0.186 0.000 1.361 236 I CB 0.314 37.962 38.000 -0.587 0.000 1.429 236 I HN 0.675 nan 8.210 nan 0.000 0.558 237 N N 2.639 121.368 118.700 0.047 0.000 2.727 237 N HA -0.307 4.433 4.740 0.001 0.000 0.249 237 N C 0.212 175.754 175.510 0.054 0.000 1.048 237 N CA 1.138 54.225 53.050 0.060 0.000 0.714 237 N CB -1.779 36.732 38.487 0.039 0.000 0.959 237 N HN 0.880 nan 8.380 nan 0.000 0.544 238 Y N 0.404 120.691 120.300 -0.021 0.000 1.740 238 Y HA -0.333 4.217 4.550 0.001 0.000 0.194 238 Y C 2.237 178.128 175.900 -0.015 0.000 1.024 238 Y CA 2.700 60.789 58.100 -0.017 0.000 0.930 238 Y CB -1.008 37.447 38.460 -0.009 0.000 0.802 238 Y HN 0.230 nan 8.280 nan 0.000 0.571 239 G N 1.100 109.555 108.800 -0.574 0.000 2.776 239 G HA2 -0.021 3.939 3.960 0.001 0.000 0.209 239 G HA3 -0.021 3.939 3.960 0.001 0.000 0.209 239 G C 0.445 175.188 174.900 -0.261 0.000 1.145 239 G CA 0.085 44.829 45.100 -0.592 0.000 0.791 239 G HN 0.361 nan 8.290 nan 0.000 0.530 240 K N 0.318 120.624 120.400 -0.157 0.000 2.098 240 K HA 0.237 4.557 4.320 0.001 0.000 0.244 240 K C -1.511 175.035 176.600 -0.090 0.000 1.014 240 K CA -1.798 54.435 56.287 -0.090 0.000 0.917 240 K CB 1.195 33.669 32.500 -0.042 0.000 1.072 240 K HN -0.200 nan 8.250 nan 0.000 0.477 241 P HA -0.110 nan 4.420 nan 0.000 0.239 241 P C -0.472 176.802 177.300 -0.043 0.000 1.184 241 P CA 1.098 64.165 63.100 -0.054 0.000 0.760 241 P CB 0.255 31.932 31.700 -0.039 0.000 0.884 242 D N -0.185 120.193 120.400 -0.036 0.000 2.340 242 D HA 0.011 4.651 4.640 0.001 0.000 0.217 242 D C 0.603 176.881 176.300 -0.036 0.000 1.081 242 D CA 0.010 53.996 54.000 -0.024 0.000 0.842 242 D CB -0.088 40.712 40.800 -0.000 0.000 0.934 242 D HN 0.345 nan 8.370 nan 0.000 0.511 243 E N 2.040 122.209 120.200 -0.051 0.000 2.585 243 E HA -0.054 4.296 4.350 0.001 0.000 0.252 243 E C -0.097 176.475 176.600 -0.046 0.000 0.981 243 E CA 0.517 56.890 56.400 -0.046 0.000 0.943 243 E CB 0.408 30.067 29.700 -0.068 0.000 0.923 243 E HN -0.047 nan 8.360 nan 0.000 0.486 244 K N 3.893 124.260 120.400 -0.054 0.000 2.502 244 K HA 0.213 4.533 4.320 0.001 0.000 0.257 244 K C -1.143 175.410 176.600 -0.078 0.000 0.938 244 K CA -0.674 55.571 56.287 -0.069 0.000 0.819 244 K CB 1.507 33.963 32.500 -0.072 0.000 1.333 244 K HN 0.476 nan 8.250 nan 0.000 0.434 245 Q N 3.383 123.123 119.800 -0.100 0.000 2.241 245 Q HA 0.264 4.605 4.340 0.001 0.000 0.254 245 Q C 0.719 176.674 176.000 -0.074 0.000 0.917 245 Q CA -0.377 55.354 55.803 -0.120 0.000 0.919 245 Q CB 1.681 30.217 28.738 -0.337 0.000 1.237 245 Q HN 0.602 nan 8.270 nan 0.000 0.434 246 L N 1.005 122.232 121.223 0.006 0.000 2.162 246 L HA -0.134 4.206 4.340 0.001 0.000 0.205 246 L C 1.680 178.605 176.870 0.092 0.000 1.086 246 L CA 1.308 56.183 54.840 0.059 0.000 0.778 246 L CB -0.857 41.257 42.059 0.092 0.000 0.928 246 L HN 1.103 nan 8.230 nan 0.000 0.446 247 T N -2.395 112.256 114.554 0.160 0.000 13.199 247 T HA -0.391 3.959 4.350 0.001 0.000 0.419 247 T C 0.615 175.413 174.700 0.164 0.000 1.441 247 T CA 1.717 63.955 62.100 0.229 0.000 2.362 247 T CB -1.242 67.679 68.868 0.088 0.000 2.811 247 T HN 0.399 nan 8.240 nan 0.000 0.634 248 N N 2.252 121.017 118.700 0.108 0.000 2.407 248 N HA 0.590 5.330 4.740 0.001 0.000 0.277 248 N C -0.623 174.937 175.510 0.084 0.000 0.995 248 N CA -0.060 53.041 53.050 0.085 0.000 0.903 248 N CB 2.459 40.985 38.487 0.065 0.000 1.218 248 N HN 0.864 nan 8.380 nan 0.000 0.487 249 V N -0.684 119.279 119.914 0.081 0.000 3.078 249 V HA 0.636 4.756 4.120 0.001 0.000 0.311 249 V C 0.045 176.175 176.094 0.059 0.000 1.138 249 V CA -0.708 61.645 62.300 0.089 0.000 1.007 249 V CB 1.702 33.608 31.823 0.139 0.000 1.045 249 V HN 0.410 nan 8.190 nan 0.000 0.432 250 T N 1.052 115.635 114.554 0.048 0.000 2.929 250 T HA 0.470 4.820 4.350 0.001 0.000 0.284 250 T C 1.161 175.877 174.700 0.028 0.000 1.014 250 T CA -0.195 61.920 62.100 0.025 0.000 1.051 250 T CB 1.854 70.727 68.868 0.009 0.000 1.028 250 T HN 0.604 nan 8.240 nan 0.000 0.485 251 V N 1.814 121.738 119.914 0.017 0.000 2.282 251 V HA -0.243 3.878 4.120 0.001 0.000 0.249 251 V C 2.758 178.864 176.094 0.020 0.000 1.057 251 V CA 2.511 64.823 62.300 0.018 0.000 1.032 251 V CB -1.186 30.642 31.823 0.007 0.000 0.645 251 V HN 1.075 nan 8.190 nan 0.000 0.447 252 A N -0.477 122.346 122.820 0.005 0.000 1.892 252 A HA -0.296 4.024 4.320 0.001 0.000 0.218 252 A C 2.162 179.730 177.584 -0.027 0.000 1.188 252 A CA 2.172 54.205 52.037 -0.008 0.000 0.631 252 A CB -0.556 18.433 19.000 -0.018 0.000 0.822 252 A HN 0.659 nan 8.150 nan 0.000 0.447 253 E N -0.275 119.900 120.200 -0.042 0.000 2.058 253 E HA -0.178 4.172 4.350 0.001 0.000 0.194 253 E C 1.998 178.559 176.600 -0.066 0.000 0.997 253 E CA 1.264 57.587 56.400 -0.128 0.000 0.801 253 E CB -0.343 29.309 29.700 -0.080 0.000 0.746 253 E HN 0.635 nan 8.360 nan 0.000 0.450 254 L N 1.141 122.427 121.223 0.105 0.000 2.083 254 L HA -0.191 4.149 4.340 0.001 0.000 0.209 254 L C 2.466 179.471 176.870 0.224 0.000 1.083 254 L CA 0.879 55.863 54.840 0.240 0.000 0.752 254 L CB -0.317 41.812 42.059 0.116 0.000 0.899 254 L HN 0.099 nan 8.230 nan 0.000 0.433 255 E N -0.094 120.173 120.200 0.111 0.000 2.106 255 E HA -0.254 4.096 4.350 0.001 0.000 0.192 255 E C 1.949 178.612 176.600 0.105 0.000 0.984 255 E CA 1.062 57.524 56.400 0.104 0.000 0.806 255 E CB 0.037 29.770 29.700 0.054 0.000 0.750 255 E HN 0.532 nan 8.360 nan 0.000 0.458 256 E N -0.284 119.936 120.200 0.033 0.000 2.028 256 E HA -0.174 4.177 4.350 0.001 0.000 0.191 256 E C 1.787 178.439 176.600 0.086 0.000 0.988 256 E CA 0.711 57.102 56.400 -0.014 0.000 0.799 256 E CB -0.076 29.526 29.700 -0.162 0.000 0.755 256 E HN 0.173 nan 8.360 nan 0.000 0.447 257 Y N 1.150 121.533 120.300 0.137 0.000 2.274 257 Y HA -0.163 4.387 4.550 0.000 0.000 0.290 257 Y C 2.306 178.348 175.900 0.236 0.000 1.145 257 Y CA 1.335 59.510 58.100 0.126 0.000 1.203 257 Y CB -0.407 38.126 38.460 0.122 0.000 0.984 257 Y HN 0.039 nan 8.280 nan 0.000 0.533 258 K N 0.371 121.067 120.400 0.493 0.000 2.026 258 K HA -0.272 4.048 4.320 0.001 0.000 0.208 258 K C 2.246 178.999 176.600 0.254 0.000 1.048 258 K CA 1.680 58.230 56.287 0.438 0.000 0.929 258 K CB -0.243 32.458 32.500 0.334 0.000 0.713 258 K HN 0.352 nan 8.250 nan 0.000 0.439 259 Q N -0.042 119.869 119.800 0.185 0.000 2.197 259 Q HA -0.142 4.199 4.340 0.001 0.000 0.207 259 Q C 1.337 177.395 176.000 0.096 0.000 0.984 259 Q CA 1.544 57.417 55.803 0.117 0.000 0.869 259 Q CB -0.174 28.614 28.738 0.084 0.000 0.906 259 Q HN 0.435 nan 8.270 nan 0.000 0.426 260 A N -0.046 122.855 122.820 0.135 0.000 2.261 260 A HA 0.234 4.554 4.320 0.001 0.000 0.208 260 A C 1.236 178.768 177.584 -0.087 0.000 1.223 260 A CA 0.670 52.741 52.037 0.057 0.000 0.833 260 A CB -0.882 18.224 19.000 0.175 0.000 0.830 260 A HN 0.593 nan 8.150 nan 0.000 0.483 261 G N -0.965 107.833 108.800 -0.004 0.000 2.341 261 G HA2 -0.345 3.616 3.960 0.001 0.000 0.292 261 G HA3 -0.345 3.616 3.960 0.001 0.000 0.292 261 G C 0.435 175.250 174.900 -0.142 0.000 1.021 261 G CA 1.096 46.173 45.100 -0.039 0.000 0.905 261 G HN 0.779 nan 8.290 nan 0.000 0.508 262 H N -1.175 117.775 119.070 -0.199 0.000 2.372 262 H HA 0.223 4.779 4.556 0.000 0.000 0.301 262 H C 0.958 176.022 175.328 -0.439 0.000 1.065 262 H CA 1.382 57.175 56.048 -0.425 0.000 1.364 262 H CB 0.070 29.366 29.762 -0.777 0.000 1.406 262 H HN 0.457 nan 8.280 nan 0.000 0.521 263 F N 1.164 121.204 119.950 0.150 0.000 2.444 263 F HA 0.339 4.867 4.527 0.001 0.000 0.360 263 F C 0.681 176.514 175.800 0.054 0.000 1.106 263 F CA -0.995 57.055 58.000 0.082 0.000 1.170 263 F CB 0.177 39.221 39.000 0.073 0.000 1.113 263 F HN 0.064 nan 8.300 nan 0.000 0.521 264 A N 6.909 129.833 122.820 0.173 0.000 2.566 264 A HA 0.107 4.427 4.320 0.001 0.000 0.245 264 A C -1.078 176.572 177.584 0.110 0.000 1.056 264 A CA -0.948 51.151 52.037 0.102 0.000 0.757 264 A CB -0.268 18.773 19.000 0.068 0.000 0.979 264 A HN 0.624 nan 8.150 nan 0.000 0.508 265 P HA -0.167 nan 4.420 nan 0.000 0.219 265 P C 1.447 178.784 177.300 0.061 0.000 1.146 265 P CA 1.890 65.035 63.100 0.076 0.000 0.808 265 P CB 0.026 31.757 31.700 0.053 0.000 0.779 266 G N -0.084 108.744 108.800 0.047 0.000 2.421 266 G HA2 -0.129 3.832 3.960 0.001 0.000 0.217 266 G HA3 -0.129 3.832 3.960 0.001 0.000 0.217 266 G C 1.533 176.456 174.900 0.039 0.000 1.143 266 G CA 1.302 46.422 45.100 0.035 0.000 0.784 266 G HN 0.506 nan 8.290 nan 0.000 0.541 267 S N -1.476 114.252 115.700 0.046 0.000 3.730 267 S HA 0.207 4.677 4.470 0.001 0.000 0.218 267 S C 2.071 176.691 174.600 0.033 0.000 1.053 267 S CA 0.206 58.425 58.200 0.033 0.000 0.878 267 S CB -0.183 63.031 63.200 0.023 0.000 1.064 267 S HN -0.055 nan 8.310 nan 0.000 0.583 268 M N 1.608 121.246 119.600 0.065 0.000 2.108 268 M HA 0.079 4.560 4.480 0.001 0.000 0.261 268 M C 2.185 178.510 176.300 0.042 0.000 1.066 268 M CA 1.171 56.519 55.300 0.079 0.000 1.107 268 M CB -1.521 31.219 32.600 0.233 0.000 1.356 268 M HN 0.445 nan 8.290 nan 0.000 0.406 269 L N 0.727 122.021 121.223 0.119 0.000 1.989 269 L HA -0.124 4.217 4.340 0.001 0.000 0.211 269 L C -0.802 176.101 176.870 0.056 0.000 1.071 269 L CA 2.385 57.291 54.840 0.110 0.000 0.749 269 L CB -2.023 40.124 42.059 0.146 0.000 0.890 269 L HN 0.105 nan 8.230 nan 0.000 0.431 270 P HA -0.162 nan 4.420 nan 0.000 0.216 270 P C 1.278 178.491 177.300 -0.144 0.000 1.150 270 P CA 1.399 64.565 63.100 0.111 0.000 0.837 270 P CB -0.065 31.721 31.700 0.143 0.000 0.786 271 K N -0.517 119.794 120.400 -0.149 0.000 2.009 271 K HA -0.099 4.222 4.320 0.001 0.000 0.210 271 K C 1.997 178.459 176.600 -0.230 0.000 1.049 271 K CA 1.291 57.450 56.287 -0.213 0.000 0.929 271 K CB -1.343 31.059 32.500 -0.163 0.000 0.714 271 K HN 0.160 nan 8.250 nan 0.000 0.440 272 I N 1.946 122.367 120.570 -0.249 0.000 2.179 272 I HA -0.217 3.953 4.170 0.001 0.000 0.242 272 I C 2.212 178.251 176.117 -0.130 0.000 1.088 272 I CA 1.388 62.519 61.300 -0.283 0.000 1.357 272 I CB -1.178 36.508 38.000 -0.523 0.000 1.051 272 I HN 0.283 nan 8.210 nan 0.000 0.409 273 E N 1.079 121.255 120.200 -0.040 0.000 2.058 273 E HA -0.209 4.141 4.350 0.001 0.000 0.194 273 E C 2.344 178.991 176.600 0.078 0.000 0.997 273 E CA 1.523 57.981 56.400 0.097 0.000 0.801 273 E CB -0.187 29.686 29.700 0.288 0.000 0.746 273 E HN 0.504 nan 8.360 nan 0.000 0.450 274 A N 1.649 124.365 122.820 -0.173 0.000 1.883 274 A HA -0.169 4.151 4.320 0.001 0.000 0.217 274 A C 2.430 179.958 177.584 -0.093 0.000 1.186 274 A CA 1.901 53.738 52.037 -0.334 0.000 0.624 274 A CB -0.789 17.734 19.000 -0.795 0.000 0.822 274 A HN 0.304 nan 8.150 nan 0.000 0.444 275 A N 0.000 122.760 122.820 -0.100 0.000 1.865 275 A HA -0.134 4.186 4.320 0.001 0.000 0.217 275 A C 2.157 179.779 177.584 0.064 0.000 1.191 275 A CA 1.649 53.680 52.037 -0.010 0.000 0.623 275 A CB -0.708 18.256 19.000 -0.059 0.000 0.826 275 A HN 0.506 nan 8.150 nan 0.000 0.444 276 I N -0.678 119.908 120.570 0.026 0.000 2.163 276 I HA -0.342 3.828 4.170 0.001 0.000 0.243 276 I C 2.870 179.022 176.117 0.058 0.000 1.085 276 I CA 1.996 63.318 61.300 0.037 0.000 1.347 276 I CB -0.439 37.579 38.000 0.030 0.000 1.044 276 I HN 0.557 nan 8.210 nan 0.000 0.408 277 Q N 0.496 120.353 119.800 0.095 0.000 2.096 277 Q HA -0.274 4.066 4.340 0.001 0.000 0.204 277 Q C 2.275 178.347 176.000 0.119 0.000 0.982 277 Q CA 2.018 57.889 55.803 0.113 0.000 0.850 277 Q CB -0.181 28.662 28.738 0.176 0.000 0.901 277 Q HN 0.453 nan 8.270 nan 0.000 0.422 278 F N 0.341 120.291 119.950 -0.001 0.000 2.075 278 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 278 F C 1.929 177.723 175.800 -0.011 0.000 1.113 278 F CA 1.432 59.425 58.000 -0.011 0.000 1.218 278 F CB -0.580 38.399 39.000 -0.035 0.000 0.984 278 F HN -0.089 nan 8.300 nan 0.000 0.472 279 V N 0.547 120.358 119.914 -0.171 0.000 2.392 279 V HA -0.292 3.829 4.120 0.001 0.000 0.249 279 V C 2.042 178.006 176.094 -0.216 0.000 1.059 279 V CA 2.260 64.403 62.300 -0.262 0.000 1.051 279 V CB -0.867 30.910 31.823 -0.077 0.000 0.658 279 V HN 0.370 nan 8.190 nan 0.000 0.455 280 E N 0.488 120.617 120.200 -0.119 0.000 2.482 280 E HA -0.087 4.264 4.350 0.001 0.000 0.196 280 E C 2.246 178.790 176.600 -0.093 0.000 1.047 280 E CA 0.949 57.300 56.400 -0.082 0.000 0.869 280 E CB -0.052 29.630 29.700 -0.030 0.000 0.836 280 E HN 0.795 nan 8.360 nan 0.000 0.520 281 S N -0.014 115.601 115.700 -0.141 0.000 2.377 281 S HA -0.032 4.439 4.470 0.001 0.000 0.223 281 S C 1.010 175.534 174.600 -0.126 0.000 1.030 281 S CA 0.389 58.523 58.200 -0.109 0.000 0.970 281 S CB 0.283 63.434 63.200 -0.082 0.000 0.830 281 S HN -0.026 nan 8.310 nan 0.000 0.473 282 Q N 0.319 119.997 119.800 -0.203 0.000 2.389 282 Q HA 0.408 4.748 4.340 0.001 0.000 0.277 282 Q C -2.197 173.707 176.000 -0.159 0.000 1.082 282 Q CA -2.113 53.596 55.803 -0.157 0.000 0.810 282 Q CB 2.053 30.697 28.738 -0.157 0.000 1.374 282 Q HN 0.088 nan 8.270 nan 0.000 0.422 283 P HA -0.177 nan 4.420 nan 0.000 0.213 283 P C -0.002 177.247 177.300 -0.085 0.000 1.170 283 P CA 1.438 64.490 63.100 -0.081 0.000 0.902 283 P CB 0.329 31.997 31.700 -0.053 0.000 0.789 284 N N 0.867 119.520 118.700 -0.079 0.000 3.271 284 N HA 0.140 4.880 4.740 0.001 0.000 0.303 284 N C 0.053 175.514 175.510 -0.081 0.000 1.415 284 N CA 0.135 53.147 53.050 -0.063 0.000 1.159 284 N CB 0.427 38.894 38.487 -0.034 0.000 1.432 284 N HN 0.206 nan 8.380 nan 0.000 0.521 285 K N 0.905 121.217 120.400 -0.146 0.000 2.340 285 K HA 0.448 4.768 4.320 0.001 0.000 0.244 285 K C 0.156 176.694 176.600 -0.104 0.000 0.973 285 K CA -0.544 55.621 56.287 -0.203 0.000 0.828 285 K CB 2.466 34.572 32.500 -0.657 0.000 1.226 285 K HN 0.345 nan 8.250 nan 0.000 0.437 286 Q N -0.759 119.089 119.800 0.080 0.000 2.377 286 Q HA 0.796 5.136 4.340 0.001 0.000 0.279 286 Q C -1.581 174.590 176.000 0.284 0.000 1.049 286 Q CA -1.226 54.654 55.803 0.128 0.000 0.825 286 Q CB 2.104 30.882 28.738 0.067 0.000 1.401 286 Q HN 0.499 nan 8.270 nan 0.000 0.404 287 A N 2.597 125.529 122.820 0.186 0.000 2.350 287 A HA 0.817 5.137 4.320 0.001 0.000 0.324 287 A C -0.952 176.645 177.584 0.021 0.000 1.118 287 A CA -0.821 51.291 52.037 0.125 0.000 0.783 287 A CB 0.973 20.055 19.000 0.137 0.000 1.236 287 A HN 0.704 nan 8.150 nan 0.000 0.457 288 I N 2.101 122.650 120.570 -0.034 0.000 2.509 288 I HA 0.445 4.615 4.170 0.001 0.000 0.293 288 I C -0.909 175.157 176.117 -0.084 0.000 1.020 288 I CA -0.396 60.870 61.300 -0.056 0.000 1.088 288 I CB 1.981 39.940 38.000 -0.070 0.000 1.267 288 I HN 0.486 nan 8.210 nan 0.000 0.430 289 I N 4.934 125.453 120.570 -0.084 0.000 2.448 289 I HA 0.475 4.645 4.170 0.001 0.000 0.281 289 I C -0.251 175.799 176.117 -0.111 0.000 1.027 289 I CA -0.089 61.153 61.300 -0.097 0.000 1.111 289 I CB 1.881 39.828 38.000 -0.089 0.000 1.236 289 I HN 0.578 nan 8.210 nan 0.000 0.452 290 T N 2.760 117.238 114.554 -0.126 0.000 2.693 290 T HA 0.357 4.707 4.350 0.001 0.000 0.304 290 T C -0.834 173.778 174.700 -0.146 0.000 1.471 290 T CA -0.365 61.640 62.100 -0.158 0.000 0.993 290 T CB 1.595 70.337 68.868 -0.210 0.000 1.554 290 T HN 0.396 nan 8.240 nan 0.000 0.496 291 S N 1.610 117.210 115.700 -0.166 0.000 2.580 291 S HA 0.268 4.739 4.470 0.001 0.000 0.274 291 S C 1.233 175.706 174.600 -0.212 0.000 1.329 291 S CA -0.607 57.490 58.200 -0.171 0.000 1.036 291 S CB 1.102 64.193 63.200 -0.181 0.000 0.919 291 S HN 0.625 nan 8.310 nan 0.000 0.515 292 L N 2.377 123.467 121.223 -0.222 0.000 2.093 292 L HA -0.041 4.299 4.340 0.001 0.000 0.208 292 L C 2.229 178.765 176.870 -0.556 0.000 1.085 292 L CA 1.807 56.492 54.840 -0.258 0.000 0.755 292 L CB -0.791 41.178 42.059 -0.151 0.000 0.904 292 L HN 0.914 nan 8.230 nan 0.000 0.435 293 E N -0.775 118.977 120.200 -0.747 0.000 2.160 293 E HA -0.303 4.047 4.350 0.001 0.000 0.195 293 E C 1.943 178.216 176.600 -0.545 0.000 0.991 293 E CA 1.427 57.194 56.400 -1.055 0.000 0.810 293 E CB -0.113 29.228 29.700 -0.598 0.000 0.742 293 E HN 0.664 nan 8.360 nan 0.000 0.466 294 N N -0.263 118.229 118.700 -0.346 0.000 2.188 294 N HA -0.094 4.646 4.740 0.001 0.000 0.184 294 N C 1.827 177.224 175.510 -0.188 0.000 1.018 294 N CA 0.765 53.676 53.050 -0.232 0.000 0.858 294 N CB 0.026 38.381 38.487 -0.221 0.000 0.989 294 N HN 0.145 nan 8.380 nan 0.000 0.426 295 L N -0.630 120.483 121.223 -0.183 0.000 2.141 295 L HA 0.006 4.347 4.340 0.001 0.000 0.209 295 L C 2.337 179.190 176.870 -0.029 0.000 1.094 295 L CA 1.043 55.841 54.840 -0.071 0.000 0.763 295 L CB -0.705 41.327 42.059 -0.045 0.000 0.908 295 L HN 0.305 nan 8.230 nan 0.000 0.437 296 G N -1.001 107.712 108.800 -0.145 0.000 2.470 296 G HA2 -0.189 3.771 3.960 0.001 0.000 0.220 296 G HA3 -0.189 3.771 3.960 0.001 0.000 0.220 296 G C 1.593 176.154 174.900 -0.565 0.000 1.121 296 G CA 1.021 46.049 45.100 -0.120 0.000 0.766 296 G HN 0.383 nan 8.290 nan 0.000 0.553 297 S N -0.533 114.984 115.700 -0.304 0.000 2.357 297 S HA 0.320 4.790 4.470 0.001 0.000 0.209 297 S C 0.687 175.278 174.600 -0.015 0.000 1.023 297 S CA 0.082 58.150 58.200 -0.221 0.000 0.933 297 S CB 0.004 63.142 63.200 -0.104 0.000 0.897 297 S HN 0.218 nan 8.310 nan 0.000 0.529 298 M N 0.850 120.468 119.600 0.031 0.000 5.596 298 M HA -0.212 4.269 4.480 0.001 0.000 0.157 298 M C 0.431 176.790 176.300 0.099 0.000 1.223 298 M CA 1.067 56.431 55.300 0.106 0.000 1.188 298 M CB -1.354 31.380 32.600 0.222 0.000 1.075 298 M HN 0.734 nan 8.290 nan 0.000 0.190 299 S N 0.920 116.666 115.700 0.076 0.000 7.285 299 S HA 0.184 4.654 4.470 0.001 0.000 0.053 299 S C 0.255 174.888 174.600 0.054 0.000 1.522 299 S CA 0.043 58.282 58.200 0.064 0.000 0.956 299 S CB 0.076 63.308 63.200 0.053 0.000 0.998 299 S HN 1.811 nan 8.310 nan 0.000 0.543 300 G N 2.339 111.167 108.800 0.046 0.000 2.788 300 G HA2 0.589 4.549 3.960 0.001 0.000 0.327 300 G HA3 0.589 4.549 3.960 0.001 0.000 0.327 300 G C -1.249 173.670 174.900 0.032 0.000 1.249 300 G CA -0.206 44.923 45.100 0.047 0.000 1.063 300 G HN 0.330 nan 8.290 nan 0.000 0.497 301 D N 1.026 121.427 120.400 0.002 0.000 2.371 301 D HA 0.191 4.832 4.640 0.001 0.000 0.242 301 D C 0.831 177.072 176.300 -0.098 0.000 1.218 301 D CA -0.055 53.906 54.000 -0.066 0.000 0.945 301 D CB 1.019 41.776 40.800 -0.072 0.000 1.137 301 D HN 0.392 nan 8.370 nan 0.000 0.464 302 E N 0.823 120.849 120.200 -0.290 0.000 2.374 302 E HA 0.152 4.502 4.350 0.001 0.000 0.260 302 E C 0.391 176.913 176.600 -0.130 0.000 1.101 302 E CA -0.594 55.552 56.400 -0.424 0.000 0.907 302 E CB 0.539 29.603 29.700 -1.060 0.000 1.014 302 E HN 0.259 nan 8.360 nan 0.000 0.427 303 I N 0.451 121.041 120.570 0.033 0.000 3.588 303 I HA -0.238 3.932 4.170 0.001 0.000 0.126 303 I C -0.598 175.530 176.117 0.019 0.000 0.989 303 I CA 0.617 61.951 61.300 0.056 0.000 2.745 303 I CB -1.801 36.216 38.000 0.029 0.000 1.196 303 I HN 0.244 nan 8.210 nan 0.000 0.343 304 V N 5.867 125.806 119.914 0.042 0.000 2.293 304 V HA 0.588 4.709 4.120 0.001 0.000 0.275 304 V C 1.089 177.205 176.094 0.037 0.000 1.021 304 V CA -0.332 61.986 62.300 0.030 0.000 0.815 304 V CB 1.551 33.394 31.823 0.033 0.000 1.025 304 V HN 0.842 nan 8.190 nan 0.000 0.448 305 G N 3.554 112.372 108.800 0.031 0.000 2.339 305 G HA2 0.620 4.581 3.960 0.001 0.000 0.287 305 G HA3 0.620 4.581 3.960 0.001 0.000 0.287 305 G C 0.016 174.933 174.900 0.028 0.000 1.163 305 G CA 0.139 45.258 45.100 0.031 0.000 0.872 305 G HN 0.776 nan 8.290 nan 0.000 0.464 306 T N -2.018 112.547 114.554 0.019 0.000 2.787 306 T HA 0.733 5.084 4.350 0.001 0.000 0.297 306 T C -0.839 173.858 174.700 -0.005 0.000 1.221 306 T CA -0.517 61.584 62.100 0.003 0.000 1.006 306 T CB 1.897 70.768 68.868 0.006 0.000 1.328 306 T HN 1.650 nan 8.240 nan 0.000 0.509 307 V N -1.863 118.040 119.914 -0.018 0.000 2.812 307 V HA 0.822 4.942 4.120 0.001 0.000 0.280 307 V C -0.768 175.309 176.094 -0.029 0.000 1.324 307 V CA -0.658 61.630 62.300 -0.020 0.000 0.933 307 V CB 0.237 32.046 31.823 -0.022 0.000 1.091 307 V HN 1.356 nan 8.190 nan 0.000 0.455 308 V N 0.000 119.901 119.914 -0.021 0.000 2.409 308 V HA 0.000 4.120 4.120 0.001 0.000 0.244 308 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 308 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 308 V HN 0.000 nan 8.190 nan 0.000 0.556