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 1kvm_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.464 177.584 -0.201 0.000 1.274 4 A CA 0.000 51.967 52.037 -0.117 0.000 0.836 4 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 5 P HA -0.047 nan 4.420 nan 0.000 0.264 5 P C 1.152 178.328 177.300 -0.207 0.000 1.179 5 P CA 0.188 63.119 63.100 -0.280 0.000 0.763 5 P CB 0.694 32.136 31.700 -0.430 0.000 0.806 6 Q N 2.801 122.525 119.800 -0.126 0.000 2.181 6 Q HA -0.273 4.067 4.340 -0.000 0.000 0.205 6 Q C 1.808 177.759 176.000 -0.082 0.000 0.980 6 Q CA 1.913 57.670 55.803 -0.077 0.000 0.862 6 Q CB -0.086 28.622 28.738 -0.049 0.000 0.905 6 Q HN 0.604 nan 8.270 nan 0.000 0.429 7 Q N -0.222 119.502 119.800 -0.126 0.000 2.084 7 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 7 Q C 2.146 178.069 176.000 -0.128 0.000 0.978 7 Q CA 1.410 57.142 55.803 -0.119 0.000 0.844 7 Q CB -0.078 28.574 28.738 -0.144 0.000 0.898 7 Q HN 0.483 nan 8.270 nan 0.000 0.426 8 I N 0.830 121.282 120.570 -0.197 0.000 2.193 8 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 8 I C 2.086 178.200 176.117 -0.006 0.000 1.084 8 I CA 0.808 62.024 61.300 -0.141 0.000 1.365 8 I CB -0.527 37.324 38.000 -0.249 0.000 1.064 8 I HN 0.279 nan 8.210 nan 0.000 0.410 9 N N 0.941 119.685 118.700 0.073 0.000 2.094 9 N HA -0.259 4.481 4.740 -0.000 0.000 0.191 9 N C 1.517 177.087 175.510 0.100 0.000 1.023 9 N CA 2.006 55.168 53.050 0.188 0.000 0.857 9 N CB -0.523 38.044 38.487 0.134 0.000 1.013 9 N HN 0.403 nan 8.380 nan 0.000 0.426 10 D N 0.485 120.916 120.400 0.052 0.000 2.097 10 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 10 D C 1.885 178.212 176.300 0.045 0.000 0.989 10 D CA 0.623 54.661 54.000 0.063 0.000 0.827 10 D CB -0.166 40.650 40.800 0.026 0.000 0.966 10 D HN 0.123 nan 8.370 nan 0.000 0.456 11 I N -0.315 120.252 120.570 -0.005 0.000 2.439 11 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 11 I C 2.001 178.097 176.117 -0.035 0.000 1.139 11 I CA 0.711 61.999 61.300 -0.021 0.000 1.438 11 I CB -0.118 37.860 38.000 -0.037 0.000 1.085 11 I HN -0.021 nan 8.210 nan 0.000 0.427 12 V N 0.230 120.088 119.914 -0.093 0.000 2.307 12 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 12 V C 2.545 178.665 176.094 0.043 0.000 1.045 12 V CA 2.233 64.430 62.300 -0.172 0.000 1.024 12 V CB -1.069 30.323 31.823 -0.719 0.000 0.651 12 V HN 0.524 nan 8.190 nan 0.000 0.449 13 H N 0.948 120.028 119.070 0.017 0.000 2.319 13 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 13 H C 2.405 177.779 175.328 0.077 0.000 1.092 13 H CA 1.964 58.096 56.048 0.140 0.000 1.302 13 H CB -0.130 29.710 29.762 0.129 0.000 1.373 13 H HN 0.259 nan 8.280 nan 0.000 0.497 14 R N -1.023 119.463 120.500 -0.024 0.000 2.235 14 R HA -0.021 4.319 4.340 -0.000 0.000 0.213 14 R C 1.593 177.843 176.300 -0.085 0.000 1.059 14 R CA 1.438 57.470 56.100 -0.112 0.000 0.997 14 R CB 0.245 30.514 30.300 -0.052 0.000 0.884 14 R HN 0.373 nan 8.270 nan 0.000 0.462 15 T N 0.363 114.885 114.554 -0.053 0.000 3.044 15 T HA 0.104 4.454 4.350 -0.000 0.000 0.237 15 T C 1.752 176.395 174.700 -0.095 0.000 1.001 15 T CA 0.208 62.278 62.100 -0.050 0.000 1.160 15 T CB 0.182 69.041 68.868 -0.016 0.000 0.889 15 T HN -0.053 nan 8.240 nan 0.000 0.442 16 I N 2.851 123.343 120.570 -0.131 0.000 2.233 16 I HA -0.098 4.072 4.170 -0.000 0.000 0.243 16 I C 3.077 178.913 176.117 -0.469 0.000 1.093 16 I CA 1.787 62.896 61.300 -0.318 0.000 1.380 16 I CB -1.960 35.752 38.000 -0.480 0.000 1.067 16 I HN 0.420 nan 8.210 nan 0.000 0.413 17 T N 0.067 114.438 114.554 -0.306 0.000 2.759 17 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 17 T C -0.327 174.243 174.700 -0.216 0.000 1.042 17 T CA 1.196 63.145 62.100 -0.252 0.000 1.140 17 T CB -1.642 67.337 68.868 0.186 0.000 0.864 17 T HN 0.136 nan 8.240 nan 0.000 0.455 18 P HA 0.129 nan 4.420 nan 0.000 0.220 18 P C 1.758 178.969 177.300 -0.148 0.000 1.152 18 P CA 0.267 63.285 63.100 -0.136 0.000 0.812 18 P CB -0.233 31.400 31.700 -0.111 0.000 0.792 19 L N -0.499 120.616 121.223 -0.180 0.000 2.042 19 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 19 L C 2.077 178.791 176.870 -0.261 0.000 1.076 19 L CA 1.834 56.562 54.840 -0.186 0.000 0.749 19 L CB -1.129 40.820 42.059 -0.182 0.000 0.893 19 L HN -0.128 nan 8.230 nan 0.000 0.432 20 I N -0.612 119.760 120.570 -0.330 0.000 2.226 20 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 20 I C 2.387 178.384 176.117 -0.201 0.000 1.100 20 I CA 0.989 62.095 61.300 -0.324 0.000 1.374 20 I CB -0.414 37.342 38.000 -0.407 0.000 1.057 20 I HN 0.304 nan 8.210 nan 0.000 0.413 21 E N 0.659 120.766 120.200 -0.155 0.000 2.072 21 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 21 E C 2.170 178.719 176.600 -0.085 0.000 0.985 21 E CA 1.188 57.531 56.400 -0.095 0.000 0.801 21 E CB -0.295 29.365 29.700 -0.067 0.000 0.750 21 E HN 0.596 nan 8.360 nan 0.000 0.452 22 Q N 0.156 119.901 119.800 -0.093 0.000 2.119 22 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 22 Q C 1.894 177.856 176.000 -0.064 0.000 0.972 22 Q CA 0.948 56.711 55.803 -0.066 0.000 0.847 22 Q CB 0.093 28.797 28.738 -0.058 0.000 0.903 22 Q HN 0.156 nan 8.270 nan 0.000 0.433 23 Q N 0.173 119.908 119.800 -0.107 0.000 2.392 23 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 23 Q C -0.266 175.682 176.000 -0.087 0.000 0.917 23 Q CA 0.199 55.944 55.803 -0.097 0.000 0.939 23 Q CB 0.646 29.255 28.738 -0.215 0.000 1.063 23 Q HN 0.255 nan 8.270 nan 0.000 0.516 24 K N 0.783 121.127 120.400 -0.094 0.000 3.150 24 K HA -0.168 4.152 4.320 -0.000 0.000 0.267 24 K C -0.616 175.940 176.600 -0.074 0.000 1.028 24 K CA 0.167 56.412 56.287 -0.071 0.000 0.753 24 K CB -1.823 30.653 32.500 -0.040 0.000 1.288 24 K HN 0.238 nan 8.250 nan 0.000 0.473 25 I N 0.663 121.162 120.570 -0.118 0.000 2.471 25 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 25 I C -0.982 175.114 176.117 -0.035 0.000 1.079 25 I CA -2.093 59.153 61.300 -0.089 0.000 1.398 25 I CB 0.879 38.770 38.000 -0.182 0.000 1.403 25 I HN 0.010 nan 8.210 nan 0.000 0.530 26 P HA -0.038 nan 4.420 nan 0.000 0.215 26 P C 0.349 177.709 177.300 0.099 0.000 1.157 26 P CA 0.560 63.656 63.100 -0.006 0.000 0.863 26 P CB 0.272 31.889 31.700 -0.139 0.000 0.787 27 G N -1.547 107.371 108.800 0.197 0.000 2.696 27 G HA2 0.693 4.653 3.960 -0.000 0.000 0.295 27 G HA3 0.693 4.653 3.960 -0.000 0.000 0.295 27 G C -1.880 173.275 174.900 0.425 0.000 1.398 27 G CA -0.357 44.929 45.100 0.309 0.000 0.920 27 G HN 0.035 nan 8.290 nan 0.000 0.492 28 M N 0.942 120.838 119.600 0.493 0.000 2.414 28 M HA 0.690 5.169 4.480 -0.000 0.000 0.287 28 M C -1.528 175.126 176.300 0.590 0.000 1.181 28 M CA -0.535 55.043 55.300 0.463 0.000 0.933 28 M CB 2.222 34.947 32.600 0.209 0.000 1.732 28 M HN 1.045 nan 8.290 nan 0.000 0.486 29 A N 3.253 126.299 122.820 0.376 0.000 2.386 29 A HA 0.908 5.228 4.320 -0.000 0.000 0.311 29 A C -1.752 176.049 177.584 0.363 0.000 1.068 29 A CA -0.622 51.656 52.037 0.403 0.000 0.743 29 A CB 1.880 21.065 19.000 0.308 0.000 1.258 29 A HN 0.636 nan 8.150 nan 0.000 0.429 30 V N 0.608 120.840 119.914 0.530 0.000 2.841 30 V HA 0.809 4.929 4.120 -0.000 0.000 0.310 30 V C -0.048 176.360 176.094 0.523 0.000 1.090 30 V CA -0.169 62.425 62.300 0.490 0.000 0.930 30 V CB 1.938 34.094 31.823 0.554 0.000 1.014 30 V HN 1.509 nan 8.190 nan 0.000 0.425 31 A N 3.655 126.697 122.820 0.369 0.000 2.356 31 A HA 0.898 5.218 4.320 -0.000 0.000 0.310 31 A C -1.268 176.436 177.584 0.202 0.000 1.075 31 A CA -0.563 51.607 52.037 0.222 0.000 0.746 31 A CB 1.898 20.965 19.000 0.112 0.000 1.221 31 A HN 0.683 nan 8.150 nan 0.000 0.443 32 V N 3.373 123.422 119.914 0.224 0.000 2.409 32 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 32 V C -0.892 175.307 176.094 0.176 0.000 1.020 32 V CA -0.285 62.154 62.300 0.231 0.000 0.848 32 V CB 1.319 33.342 31.823 0.333 0.000 0.990 32 V HN 0.719 nan 8.190 nan 0.000 0.430 33 I N 5.783 126.414 120.570 0.102 0.000 2.304 33 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 33 I C -0.660 175.555 176.117 0.164 0.000 1.018 33 I CA -0.277 61.056 61.300 0.054 0.000 1.260 33 I CB 0.760 38.727 38.000 -0.056 0.000 1.390 33 I HN 0.579 nan 8.210 nan 0.000 0.475 34 Y N 5.523 125.889 120.300 0.110 0.000 2.326 34 Y HA 0.336 4.886 4.550 -0.000 0.000 0.331 34 Y C 0.179 176.127 175.900 0.079 0.000 0.962 34 Y CA -0.696 57.474 58.100 0.116 0.000 1.167 34 Y CB 0.979 39.565 38.460 0.210 0.000 1.148 34 Y HN 0.667 nan 8.280 nan 0.000 0.463 35 Q N 4.456 124.072 119.800 -0.305 0.000 2.451 35 Q HA -0.252 4.088 4.340 -0.000 0.000 0.305 35 Q C 1.018 176.963 176.000 -0.093 0.000 1.345 35 Q CA 1.107 56.766 55.803 -0.241 0.000 0.854 35 Q CB -1.674 26.912 28.738 -0.253 0.000 1.162 35 Q HN 1.356 nan 8.270 nan 0.000 0.440 36 G N -2.433 106.312 108.800 -0.093 0.000 2.155 36 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 36 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 36 G C 0.058 174.912 174.900 -0.076 0.000 0.983 36 G CA 0.863 45.911 45.100 -0.087 0.000 0.676 36 G HN 0.857 nan 8.290 nan 0.000 0.528 37 K N 0.652 121.019 120.400 -0.056 0.000 2.324 37 K HA 0.899 5.219 4.320 -0.000 0.000 0.253 37 K C -2.902 173.474 176.600 -0.373 0.000 0.932 37 K CA -1.397 54.784 56.287 -0.177 0.000 0.799 37 K CB 2.551 34.977 32.500 -0.124 0.000 1.154 37 K HN 0.216 nan 8.250 nan 0.000 0.425 38 P HA 0.484 nan 4.420 nan 0.000 0.288 38 P C -1.391 175.241 177.300 -1.114 0.000 1.267 38 P CA -0.378 62.319 63.100 -0.671 0.000 0.815 38 P CB 0.546 31.929 31.700 -0.528 0.000 0.989 39 Y N 1.472 121.485 120.300 -0.477 0.000 2.361 39 Y HA 0.432 4.981 4.550 -0.000 0.000 0.337 39 Y C -0.080 175.464 175.900 -0.593 0.000 0.965 39 Y CA -0.438 57.412 58.100 -0.417 0.000 1.091 39 Y CB 1.716 40.083 38.460 -0.155 0.000 1.182 39 Y HN 0.291 nan 8.280 nan 0.000 0.450 40 Y N 2.742 122.863 120.300 -0.298 0.000 2.409 40 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 40 Y C -0.956 174.560 175.900 -0.639 0.000 1.033 40 Y CA -1.269 56.678 58.100 -0.255 0.000 1.094 40 Y CB 1.469 39.862 38.460 -0.112 0.000 1.210 40 Y HN 0.388 nan 8.280 nan 0.000 0.456 41 F N 0.473 120.516 119.950 0.154 0.000 2.556 41 F HA 0.657 5.184 4.527 -0.000 0.000 0.314 41 F C -0.240 175.444 175.800 -0.193 0.000 1.106 41 F CA -0.915 56.987 58.000 -0.164 0.000 0.911 41 F CB 2.465 41.354 39.000 -0.185 0.000 1.190 41 F HN 0.404 nan 8.300 nan 0.000 0.448 42 T N -1.419 112.941 114.554 -0.322 0.000 2.903 42 T HA 0.660 5.010 4.350 -0.000 0.000 0.299 42 T C -1.572 172.987 174.700 -0.235 0.000 1.093 42 T CA -0.767 61.308 62.100 -0.042 0.000 1.002 42 T CB 1.938 70.844 68.868 0.064 0.000 1.127 42 T HN 0.615 nan 8.240 nan 0.000 0.488 43 W N 0.284 121.674 121.300 0.149 0.000 3.217 43 W HA 0.493 5.153 4.660 -0.000 0.000 0.323 43 W C 0.808 177.350 176.519 0.039 0.000 1.216 43 W CA -0.151 57.242 57.345 0.080 0.000 1.194 43 W CB 1.714 31.223 29.460 0.081 0.000 1.397 43 W HN 1.400 nan 8.180 nan 0.000 0.537 44 G N 1.531 110.408 108.800 0.130 0.000 2.575 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 44 G C -1.387 173.444 174.900 -0.115 0.000 1.264 44 G CA -0.087 44.944 45.100 -0.116 0.000 0.935 44 G HN 0.548 nan 8.290 nan 0.000 0.568 45 Y N 0.017 120.399 120.300 0.136 0.000 2.409 45 Y HA 0.574 5.124 4.550 -0.000 0.000 0.339 45 Y C 1.338 177.334 175.900 0.160 0.000 1.033 45 Y CA -0.390 57.783 58.100 0.122 0.000 1.094 45 Y CB 1.965 40.467 38.460 0.069 0.000 1.210 45 Y HN 0.769 nan 8.280 nan 0.000 0.456 46 A N 0.803 123.828 122.820 0.340 0.000 1.975 46 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 46 A C 0.210 177.999 177.584 0.343 0.000 1.170 46 A CA 1.208 53.390 52.037 0.242 0.000 0.656 46 A CB 0.092 19.172 19.000 0.133 0.000 0.821 46 A HN 0.672 nan 8.150 nan 0.000 0.449 47 D N -0.966 119.629 120.400 0.325 0.000 2.402 47 D HA 0.403 5.043 4.640 -0.000 0.000 0.252 47 D C 0.647 177.010 176.300 0.105 0.000 1.294 47 D CA -0.441 53.764 54.000 0.342 0.000 0.948 47 D CB 0.649 41.636 40.800 0.311 0.000 1.202 47 D HN 0.149 nan 8.370 nan 0.000 0.561 48 I N 2.177 122.800 120.570 0.087 0.000 2.142 48 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 48 I C 2.471 178.444 176.117 -0.240 0.000 1.078 48 I CA 1.271 62.470 61.300 -0.169 0.000 1.343 48 I CB -0.136 37.723 38.000 -0.236 0.000 1.046 48 I HN 0.439 nan 8.210 nan 0.000 0.405 49 A N 1.036 123.783 122.820 -0.121 0.000 1.883 49 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 49 A C 2.180 179.679 177.584 -0.142 0.000 1.186 49 A CA 1.819 53.780 52.037 -0.127 0.000 0.624 49 A CB -0.488 18.444 19.000 -0.114 0.000 0.822 49 A HN 0.401 nan 8.150 nan 0.000 0.444 50 K N -0.761 119.569 120.400 -0.116 0.000 2.444 50 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 50 K C -0.262 176.228 176.600 -0.183 0.000 1.024 50 K CA 0.189 56.417 56.287 -0.099 0.000 1.077 50 K CB 0.111 32.602 32.500 -0.017 0.000 0.833 50 K HN 0.421 nan 8.250 nan 0.000 0.517 51 K N 0.361 120.517 120.400 -0.408 0.000 3.071 51 K HA -0.233 4.087 4.320 -0.000 0.000 0.262 51 K C -0.092 176.320 176.600 -0.312 0.000 0.977 51 K CA 0.773 56.557 56.287 -0.838 0.000 0.721 51 K CB -1.912 30.244 32.500 -0.572 0.000 1.293 51 K HN 0.448 nan 8.250 nan 0.000 0.475 52 Q N 0.815 120.562 119.800 -0.088 0.000 2.295 52 Q HA 0.286 4.625 4.340 -0.000 0.000 0.259 52 Q C -2.144 174.030 176.000 0.290 0.000 0.976 52 Q CA -1.648 54.218 55.803 0.105 0.000 0.923 52 Q CB 0.015 28.814 28.738 0.102 0.000 1.185 52 Q HN 0.104 nan 8.270 nan 0.000 0.410 53 P HA 0.318 nan 4.420 nan 0.000 0.276 53 P C -0.482 176.948 177.300 0.216 0.000 1.244 53 P CA -0.378 62.912 63.100 0.317 0.000 0.801 53 P CB 1.009 32.835 31.700 0.209 0.000 1.006 54 V N 1.813 121.856 119.914 0.216 0.000 2.637 54 V HA 0.278 4.398 4.120 -0.000 0.000 0.296 54 V C 1.190 177.387 176.094 0.172 0.000 1.046 54 V CA 0.714 63.150 62.300 0.227 0.000 1.066 54 V CB 0.390 32.424 31.823 0.351 0.000 0.968 54 V HN 0.911 nan 8.190 nan 0.000 0.483 55 T N 1.147 115.791 114.554 0.150 0.000 2.804 55 T HA 0.345 4.695 4.350 -0.000 0.000 0.290 55 T C 0.375 175.123 174.700 0.080 0.000 1.099 55 T CA -0.734 61.415 62.100 0.082 0.000 1.011 55 T CB 1.684 70.572 68.868 0.033 0.000 1.291 55 T HN 0.410 nan 8.240 nan 0.000 0.523 56 Q N -0.373 119.415 119.800 -0.020 0.000 2.500 56 Q HA 0.012 4.352 4.340 -0.000 0.000 0.213 56 Q C 1.465 177.417 176.000 -0.081 0.000 0.974 56 Q CA 0.867 56.613 55.803 -0.096 0.000 0.918 56 Q CB 0.048 28.627 28.738 -0.266 0.000 0.980 56 Q HN 0.488 nan 8.270 nan 0.000 0.505 57 Q N -0.379 119.381 119.800 -0.068 0.000 2.219 57 Q HA 0.101 4.440 4.340 -0.000 0.000 0.209 57 Q C -0.145 175.832 176.000 -0.039 0.000 0.854 57 Q CA 0.220 55.946 55.803 -0.129 0.000 0.960 57 Q CB 1.119 29.750 28.738 -0.179 0.000 1.116 57 Q HN 0.168 nan 8.270 nan 0.000 0.500 58 T N 1.799 116.386 114.554 0.055 0.000 2.851 58 T HA 0.292 4.642 4.350 -0.000 0.000 0.298 58 T C 0.317 175.071 174.700 0.090 0.000 0.977 58 T CA -0.007 62.123 62.100 0.050 0.000 1.126 58 T CB 0.658 69.554 68.868 0.047 0.000 0.916 58 T HN 0.095 nan 8.240 nan 0.000 0.529 59 L N 4.059 125.287 121.223 0.008 0.000 2.276 59 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 59 L C -0.570 176.297 176.870 -0.005 0.000 1.061 59 L CA -0.574 54.281 54.840 0.025 0.000 0.807 59 L CB 0.471 42.453 42.059 -0.127 0.000 1.177 59 L HN 0.543 nan 8.230 nan 0.000 0.429 60 F N 0.792 120.766 119.950 0.040 0.000 2.507 60 F HA 0.356 4.883 4.527 -0.000 0.000 0.327 60 F C 0.487 176.054 175.800 -0.389 0.000 1.068 60 F CA -0.829 57.160 58.000 -0.019 0.000 0.965 60 F CB 1.422 40.546 39.000 0.206 0.000 1.192 60 F HN 0.379 nan 8.300 nan 0.000 0.476 61 E N 2.385 122.058 120.200 -0.879 0.000 2.223 61 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 61 E C 0.464 176.965 176.600 -0.165 0.000 1.046 61 E CA -0.062 55.997 56.400 -0.568 0.000 0.857 61 E CB 0.827 30.072 29.700 -0.758 0.000 1.055 61 E HN 0.600 nan 8.360 nan 0.000 0.409 62 L N 2.932 124.149 121.223 -0.011 0.000 2.478 62 L HA 0.065 4.405 4.340 -0.000 0.000 0.223 62 L C 1.408 178.377 176.870 0.165 0.000 1.140 62 L CA 0.440 55.349 54.840 0.116 0.000 0.842 62 L CB -0.892 41.248 42.059 0.135 0.000 0.953 62 L HN 0.881 nan 8.230 nan 0.000 0.452 63 G N 0.507 109.405 108.800 0.163 0.000 2.596 63 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.295 63 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.295 63 G C 0.829 175.884 174.900 0.258 0.000 1.240 63 G CA 0.338 45.571 45.100 0.222 0.000 0.985 63 G HN 0.216 nan 8.290 nan 0.000 0.555 64 S N -0.254 115.596 115.700 0.250 0.000 2.493 64 S HA -0.023 4.447 4.470 -0.000 0.000 0.243 64 S C 2.356 177.095 174.600 0.232 0.000 0.991 64 S CA 1.403 59.769 58.200 0.276 0.000 0.957 64 S CB -0.134 63.265 63.200 0.333 0.000 0.756 64 S HN 0.793 nan 8.310 nan 0.000 0.521 65 V N 1.836 121.874 119.914 0.207 0.000 2.720 65 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 65 V C 2.142 178.361 176.094 0.208 0.000 1.082 65 V CA 1.529 63.934 62.300 0.175 0.000 1.101 65 V CB -0.843 31.108 31.823 0.214 0.000 0.693 65 V HN 0.473 nan 8.190 nan 0.000 0.479 66 S N -0.215 115.637 115.700 0.253 0.000 2.419 66 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 66 S C 1.879 176.645 174.600 0.277 0.000 1.019 66 S CA 1.198 59.583 58.200 0.309 0.000 0.982 66 S CB -0.279 63.035 63.200 0.189 0.000 0.789 66 S HN 0.642 nan 8.310 nan 0.000 0.490 67 K N 1.047 121.563 120.400 0.193 0.000 2.211 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 67 K C 2.454 179.088 176.600 0.057 0.000 1.047 67 K CA 1.588 57.969 56.287 0.156 0.000 0.935 67 K CB -0.512 32.099 32.500 0.185 0.000 0.728 67 K HN 0.636 nan 8.250 nan 0.000 0.452 68 T N -1.190 113.302 114.554 -0.102 0.000 2.821 68 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 68 T C 1.740 176.451 174.700 0.019 0.000 1.046 68 T CA 0.830 62.689 62.100 -0.402 0.000 1.139 68 T CB -0.371 67.840 68.868 -1.096 0.000 0.871 68 T HN 0.033 nan 8.240 nan 0.000 0.454 69 F N 2.068 122.092 119.950 0.122 0.000 2.186 69 F HA 0.059 4.586 4.527 -0.000 0.000 0.299 69 F C 2.988 178.849 175.800 0.101 0.000 1.090 69 F CA 1.233 59.263 58.000 0.050 0.000 1.307 69 F CB -1.042 37.853 39.000 -0.174 0.000 1.019 69 F HN 0.135 nan 8.300 nan 0.000 0.489 70 T N -0.571 114.178 114.554 0.325 0.000 2.746 70 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 70 T C 2.374 177.260 174.700 0.310 0.000 1.039 70 T CA 1.408 63.713 62.100 0.341 0.000 1.142 70 T CB -0.975 68.099 68.868 0.343 0.000 0.866 70 T HN 0.437 nan 8.240 nan 0.000 0.444 71 G N 0.999 109.945 108.800 0.243 0.000 2.421 71 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 71 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 71 G C 1.695 176.750 174.900 0.257 0.000 1.171 71 G CA 0.840 46.075 45.100 0.225 0.000 0.775 71 G HN 0.434 nan 8.290 nan 0.000 0.543 72 V N 0.649 120.731 119.914 0.280 0.000 2.407 72 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 72 V C 2.670 178.884 176.094 0.200 0.000 1.055 72 V CA 1.557 64.030 62.300 0.290 0.000 1.049 72 V CB -0.358 31.743 31.823 0.463 0.000 0.662 72 V HN 0.345 nan 8.190 nan 0.000 0.455 73 L N 1.272 122.584 121.223 0.149 0.000 2.093 73 L HA 0.016 4.355 4.340 -0.000 0.000 0.208 73 L C 2.310 179.194 176.870 0.025 0.000 1.085 73 L CA 2.333 57.180 54.840 0.012 0.000 0.755 73 L CB -1.148 40.829 42.059 -0.137 0.000 0.904 73 L HN 0.259 nan 8.230 nan 0.000 0.435 74 G N -1.130 107.744 108.800 0.124 0.000 2.408 74 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 74 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 74 G C 1.524 176.528 174.900 0.172 0.000 1.150 74 G CA 0.511 45.702 45.100 0.152 0.000 0.776 74 G HN 0.575 nan 8.290 nan 0.000 0.542 75 G N 0.714 109.625 108.800 0.186 0.000 2.440 75 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 75 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 75 G C 1.444 176.401 174.900 0.097 0.000 1.154 75 G CA 1.424 46.614 45.100 0.151 0.000 0.767 75 G HN 0.511 nan 8.290 nan 0.000 0.552 76 D N 0.475 120.919 120.400 0.073 0.000 2.117 76 D HA 0.050 4.689 4.640 -0.000 0.000 0.197 76 D C 2.669 178.976 176.300 0.010 0.000 0.987 76 D CA 1.443 55.464 54.000 0.035 0.000 0.829 76 D CB -0.289 40.520 40.800 0.016 0.000 0.961 76 D HN 0.240 nan 8.370 nan 0.000 0.460 77 A N -0.042 122.772 122.820 -0.010 0.000 1.972 77 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 77 A C 2.294 179.878 177.584 -0.001 0.000 1.169 77 A CA 1.035 53.053 52.037 -0.032 0.000 0.635 77 A CB -0.726 18.222 19.000 -0.086 0.000 0.810 77 A HN 0.403 nan 8.150 nan 0.000 0.446 78 I N -0.328 120.259 120.570 0.029 0.000 2.202 78 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 78 I C 2.921 179.064 176.117 0.043 0.000 1.091 78 I CA 1.012 62.341 61.300 0.049 0.000 1.368 78 I CB -0.352 37.696 38.000 0.080 0.000 1.058 78 I HN 0.316 nan 8.210 nan 0.000 0.410 79 A N 0.795 123.639 122.820 0.041 0.000 2.024 79 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 79 A C 2.307 179.903 177.584 0.020 0.000 1.164 79 A CA 1.458 53.514 52.037 0.032 0.000 0.643 79 A CB -0.578 18.441 19.000 0.030 0.000 0.806 79 A HN 0.353 nan 8.150 nan 0.000 0.451 80 R N -1.633 118.875 120.500 0.014 0.000 2.307 80 R HA 0.166 4.505 4.340 -0.000 0.000 0.199 80 R C 1.371 177.679 176.300 0.013 0.000 1.000 80 R CA 0.564 56.668 56.100 0.007 0.000 1.023 80 R CB -0.126 30.171 30.300 -0.005 0.000 0.908 80 R HN 0.695 nan 8.270 nan 0.000 0.473 81 G N 0.858 109.672 108.800 0.023 0.000 2.159 81 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.256 81 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.256 81 G C 0.568 175.493 174.900 0.041 0.000 0.977 81 G CA 0.509 45.628 45.100 0.032 0.000 0.652 81 G HN 0.434 nan 8.290 nan 0.000 0.531 82 E N -0.434 119.785 120.200 0.033 0.000 2.158 82 E HA 0.244 4.594 4.350 -0.000 0.000 0.191 82 E C 1.521 178.178 176.600 0.094 0.000 0.982 82 E CA 1.203 57.630 56.400 0.045 0.000 0.823 82 E CB 0.107 29.811 29.700 0.007 0.000 0.766 82 E HN 0.909 nan 8.360 nan 0.000 0.468 83 I N -3.099 117.509 120.570 0.064 0.000 3.191 83 I HA 0.491 4.661 4.170 -0.000 0.000 0.313 83 I C -1.479 174.696 176.117 0.097 0.000 1.193 83 I CA -1.284 60.068 61.300 0.087 0.000 0.968 83 I CB 2.290 40.179 38.000 -0.184 0.000 1.262 83 I HN -0.357 nan 8.210 nan 0.000 0.456 84 K N 2.384 122.870 120.400 0.144 0.000 2.468 84 K HA 0.483 4.803 4.320 -0.000 0.000 0.252 84 K C -0.099 176.571 176.600 0.116 0.000 0.932 84 K CA -0.771 55.587 56.287 0.119 0.000 0.794 84 K CB 2.963 35.537 32.500 0.122 0.000 1.241 84 K HN 0.601 nan 8.250 nan 0.000 0.428 85 L N 1.065 122.338 121.223 0.083 0.000 2.362 85 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 85 L C 1.965 178.858 176.870 0.039 0.000 1.134 85 L CA 1.268 56.136 54.840 0.047 0.000 0.807 85 L CB -0.299 41.742 42.059 -0.030 0.000 0.927 85 L HN 0.722 nan 8.230 nan 0.000 0.447 86 S N -2.734 113.004 115.700 0.063 0.000 2.527 86 S HA 0.002 4.472 4.470 -0.000 0.000 0.222 86 S C 0.619 175.280 174.600 0.102 0.000 0.985 86 S CA -0.227 58.009 58.200 0.059 0.000 0.921 86 S CB -0.295 62.940 63.200 0.058 0.000 0.772 86 S HN 0.233 nan 8.310 nan 0.000 0.529 87 D N 3.819 124.316 120.400 0.162 0.000 2.382 87 D HA 0.324 4.964 4.640 -0.000 0.000 0.245 87 D C -2.617 173.833 176.300 0.251 0.000 1.120 87 D CA -1.621 52.511 54.000 0.220 0.000 0.890 87 D CB 0.691 41.714 40.800 0.372 0.000 1.201 87 D HN 0.146 nan 8.370 nan 0.000 0.433 88 P HA 0.013 nan 4.420 nan 0.000 0.266 88 P C 0.802 178.270 177.300 0.280 0.000 1.195 88 P CA 0.037 63.268 63.100 0.218 0.000 0.768 88 P CB 0.572 32.362 31.700 0.149 0.000 0.838 89 T N 0.756 115.494 114.554 0.307 0.000 2.759 89 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 89 T C 1.597 176.440 174.700 0.238 0.000 1.042 89 T CA 1.956 64.237 62.100 0.301 0.000 1.140 89 T CB -0.872 68.166 68.868 0.283 0.000 0.864 89 T HN 0.477 nan 8.240 nan 0.000 0.455 90 T N 1.492 116.138 114.554 0.153 0.000 2.849 90 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 90 T C 1.861 176.580 174.700 0.031 0.000 1.066 90 T CA 1.152 63.291 62.100 0.065 0.000 1.130 90 T CB -0.187 68.708 68.868 0.046 0.000 0.864 90 T HN 0.449 nan 8.240 nan 0.000 0.481 91 K N 0.063 120.445 120.400 -0.030 0.000 2.147 91 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 91 K C 1.194 177.541 176.600 -0.421 0.000 1.049 91 K CA 1.346 57.465 56.287 -0.281 0.000 0.936 91 K CB -0.082 32.128 32.500 -0.484 0.000 0.722 91 K HN 0.465 nan 8.250 nan 0.000 0.446 92 Y N -2.462 117.872 120.300 0.057 0.000 2.449 92 Y HA 0.119 4.669 4.550 -0.000 0.000 0.254 92 Y C 0.165 176.116 175.900 0.085 0.000 1.140 92 Y CA -0.568 57.552 58.100 0.033 0.000 1.272 92 Y CB 0.479 38.929 38.460 -0.016 0.000 1.114 92 Y HN 0.117 nan 8.280 nan 0.000 0.525 93 W N 2.434 123.734 121.300 -0.001 0.000 2.481 93 W HA 0.416 5.076 4.660 -0.000 0.000 0.285 93 W C -2.495 173.972 176.519 -0.087 0.000 1.017 93 W CA -3.851 53.454 57.345 -0.066 0.000 1.499 93 W CB 1.126 30.501 29.460 -0.143 0.000 1.381 93 W HN -0.098 nan 8.180 nan 0.000 0.390 94 P HA -0.261 nan 4.420 nan 0.000 0.216 94 P C 1.237 178.492 177.300 -0.075 0.000 1.157 94 P CA 2.473 65.597 63.100 0.039 0.000 0.880 94 P CB 0.356 32.092 31.700 0.061 0.000 0.791 95 E N -1.209 118.914 120.200 -0.129 0.000 2.409 95 E HA -0.104 4.246 4.350 -0.000 0.000 0.198 95 E C 0.564 176.842 176.600 -0.538 0.000 1.024 95 E CA 0.174 56.404 56.400 -0.283 0.000 0.861 95 E CB -0.387 29.190 29.700 -0.206 0.000 0.788 95 E HN 0.149 nan 8.360 nan 0.000 0.521 96 L N 2.089 122.838 121.223 -0.790 0.000 2.384 96 L HA 0.037 4.377 4.340 -0.000 0.000 0.258 96 L C 1.034 177.656 176.870 -0.414 0.000 1.266 96 L CA 0.462 54.787 54.840 -0.858 0.000 1.162 96 L CB -0.042 41.333 42.059 -1.140 0.000 1.375 96 L HN -0.099 nan 8.230 nan 0.000 0.420 97 T N -0.374 114.033 114.554 -0.246 0.000 3.037 97 T HA 0.366 4.716 4.350 -0.000 0.000 0.251 97 T C 0.966 175.684 174.700 0.030 0.000 1.079 97 T CA 0.236 62.288 62.100 -0.078 0.000 1.067 97 T CB -0.049 68.779 68.868 -0.067 0.000 0.948 97 T HN 0.555 nan 8.240 nan 0.000 0.496 98 A N 2.833 125.700 122.820 0.078 0.000 2.561 98 A HA 0.216 4.535 4.320 -0.000 0.000 0.234 98 A C 1.675 179.385 177.584 0.210 0.000 1.055 98 A CA 0.210 52.344 52.037 0.162 0.000 0.756 98 A CB 0.160 19.301 19.000 0.234 0.000 0.986 98 A HN 0.688 nan 8.150 nan 0.000 0.505 99 K N 1.674 122.139 120.400 0.109 0.000 2.152 99 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 99 K C 1.486 178.122 176.600 0.061 0.000 1.048 99 K CA 1.576 57.910 56.287 0.078 0.000 0.933 99 K CB -0.141 32.375 32.500 0.027 0.000 0.721 99 K HN 0.816 nan 8.250 nan 0.000 0.447 100 Q N 0.453 120.255 119.800 0.003 0.000 2.439 100 Q HA -0.162 4.177 4.340 -0.000 0.000 0.211 100 Q C 0.817 176.719 176.000 -0.164 0.000 0.978 100 Q CA 1.180 56.893 55.803 -0.150 0.000 0.897 100 Q CB -0.432 28.101 28.738 -0.341 0.000 0.956 100 Q HN 0.611 nan 8.270 nan 0.000 0.483 101 W N 1.415 122.772 121.300 0.095 0.000 3.003 101 W HA 0.181 4.841 4.660 -0.000 0.000 0.257 101 W C 0.214 176.800 176.519 0.111 0.000 1.308 101 W CA -0.522 56.903 57.345 0.133 0.000 1.529 101 W CB 0.045 29.562 29.460 0.095 0.000 1.115 101 W HN 0.052 nan 8.180 nan 0.000 0.659 102 N N 0.353 119.188 118.700 0.225 0.000 2.440 102 N HA 0.299 5.038 4.740 -0.000 0.000 0.265 102 N C 0.990 176.592 175.510 0.152 0.000 1.239 102 N CA 1.875 55.026 53.050 0.169 0.000 0.909 102 N CB 0.612 39.164 38.487 0.108 0.000 1.066 102 N HN 0.196 nan 8.380 nan 0.000 0.474 103 G N 2.314 111.226 108.800 0.187 0.000 2.194 103 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 103 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 103 G C 0.106 175.185 174.900 0.298 0.000 0.987 103 G CA -0.336 44.887 45.100 0.205 0.000 0.635 103 G HN 0.529 nan 8.290 nan 0.000 0.520 104 I N 3.098 123.861 120.570 0.322 0.000 2.301 104 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 104 I C 1.208 177.624 176.117 0.499 0.000 1.046 104 I CA 0.135 61.702 61.300 0.446 0.000 1.282 104 I CB 1.014 39.224 38.000 0.351 0.000 1.409 104 I HN 0.309 nan 8.210 nan 0.000 0.484 105 T N 3.020 117.900 114.554 0.543 0.000 2.897 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.278 105 T C 1.218 176.031 174.700 0.190 0.000 0.981 105 T CA -0.812 61.427 62.100 0.232 0.000 0.973 105 T CB 1.449 70.320 68.868 0.005 0.000 1.092 105 T HN 0.419 nan 8.240 nan 0.000 0.543 106 L N 0.237 121.556 121.223 0.160 0.000 2.131 106 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 106 L C 2.547 179.423 176.870 0.011 0.000 1.092 106 L CA 0.848 55.798 54.840 0.184 0.000 0.759 106 L CB -0.717 41.465 42.059 0.206 0.000 0.903 106 L HN 0.613 nan 8.230 nan 0.000 0.435 107 L N -0.284 120.880 121.223 -0.099 0.000 2.012 107 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 107 L C 2.385 179.198 176.870 -0.094 0.000 1.073 107 L CA 1.982 56.697 54.840 -0.207 0.000 0.748 107 L CB -0.649 41.302 42.059 -0.181 0.000 0.891 107 L HN 0.244 nan 8.230 nan 0.000 0.431 108 H N -1.078 118.046 119.070 0.090 0.000 2.319 108 H HA -0.167 4.388 4.556 -0.000 0.000 0.299 108 H C 2.255 177.570 175.328 -0.023 0.000 1.092 108 H CA 1.730 57.820 56.048 0.069 0.000 1.302 108 H CB -0.188 29.642 29.762 0.113 0.000 1.373 108 H HN 0.323 nan 8.280 nan 0.000 0.497 109 L N 0.115 121.413 121.223 0.125 0.000 2.017 109 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 109 L C 2.827 179.612 176.870 -0.141 0.000 1.073 109 L CA 0.879 55.760 54.840 0.068 0.000 0.745 109 L CB -0.491 41.676 42.059 0.180 0.000 0.894 109 L HN 0.351 nan 8.230 nan 0.000 0.432 110 A N -0.388 122.168 122.820 -0.441 0.000 2.015 110 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 110 A C 2.074 179.220 177.584 -0.729 0.000 1.163 110 A CA 1.982 53.509 52.037 -0.850 0.000 0.646 110 A CB -0.662 17.356 19.000 -1.637 0.000 0.806 110 A HN 0.530 nan 8.150 nan 0.000 0.448 111 T N -6.327 107.906 114.554 -0.536 0.000 3.129 111 T HA 0.318 4.668 4.350 -0.000 0.000 0.267 111 T C 0.317 174.734 174.700 -0.472 0.000 1.018 111 T CA 0.279 62.065 62.100 -0.524 0.000 0.903 111 T CB -0.796 68.065 68.868 -0.011 0.000 1.067 111 T HN 0.715 nan 8.240 nan 0.000 0.549 112 Y N 0.807 121.080 120.300 -0.045 0.000 4.272 112 Y HA -0.279 4.271 4.550 -0.000 0.000 0.232 112 Y C 1.150 177.004 175.900 -0.077 0.000 1.149 112 Y CA 0.506 58.580 58.100 -0.042 0.000 1.961 112 Y CB -2.932 35.520 38.460 -0.013 0.000 1.611 112 Y HN 0.583 nan 8.280 nan 0.000 0.682 113 T N -3.965 110.569 114.554 -0.033 0.000 3.215 113 T HA 0.654 5.004 4.350 -0.000 0.000 0.271 113 T C 1.409 176.061 174.700 -0.080 0.000 1.012 113 T CA 0.155 62.159 62.100 -0.161 0.000 0.899 113 T CB 0.804 69.331 68.868 -0.567 0.000 1.089 113 T HN 0.481 nan 8.240 nan 0.000 0.552 114 A N 1.488 124.322 122.820 0.024 0.000 2.067 114 A HA 0.520 4.840 4.320 -0.000 0.000 0.219 114 A C 1.880 179.517 177.584 0.088 0.000 1.158 114 A CA 0.764 52.800 52.037 -0.002 0.000 0.661 114 A CB -0.835 18.145 19.000 -0.033 0.000 0.801 114 A HN 1.494 nan 8.150 nan 0.000 0.452 115 G N -3.199 105.732 108.800 0.219 0.000 2.330 115 G HA2 0.432 4.391 3.960 -0.000 0.000 0.125 115 G HA3 0.432 4.391 3.960 -0.000 0.000 0.125 115 G C 0.943 176.174 174.900 0.552 0.000 1.060 115 G CA 0.331 45.666 45.100 0.391 0.000 0.743 115 G HN 1.979 nan 8.290 nan 0.000 0.480 116 G N -0.893 108.253 108.800 0.575 0.000 2.167 116 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.194 116 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.194 116 G C 0.425 175.602 174.900 0.461 0.000 1.027 116 G CA 0.040 45.435 45.100 0.491 0.000 0.717 116 G HN 1.254 nan 8.290 nan 0.000 0.501 117 L N 1.954 123.297 121.223 0.200 0.000 2.485 117 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 117 L C -0.769 176.177 176.870 0.128 0.000 1.207 117 L CA -1.425 53.339 54.840 -0.126 0.000 0.855 117 L CB 0.492 42.398 42.059 -0.256 0.000 1.114 117 L HN 0.100 nan 8.230 nan 0.000 0.485 118 P HA -0.082 nan 4.420 nan 0.000 0.269 118 P C 0.539 177.913 177.300 0.124 0.000 1.209 118 P CA -0.434 62.781 63.100 0.191 0.000 0.776 118 P CB 0.984 32.832 31.700 0.246 0.000 0.876 119 L N 1.500 122.781 121.223 0.096 0.000 2.013 119 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 119 L C 0.858 177.750 176.870 0.038 0.000 1.073 119 L CA 2.063 56.937 54.840 0.057 0.000 0.753 119 L CB -0.850 41.254 42.059 0.075 0.000 0.890 119 L HN 0.382 nan 8.230 nan 0.000 0.432 120 Q N -0.603 119.216 119.800 0.032 0.000 2.348 120 Q HA 0.396 4.736 4.340 -0.000 0.000 0.271 120 Q C -0.847 175.117 176.000 -0.060 0.000 1.067 120 Q CA -0.877 54.928 55.803 0.003 0.000 0.839 120 Q CB 2.017 30.744 28.738 -0.019 0.000 1.354 120 Q HN -0.048 nan 8.270 nan 0.000 0.447 121 V N 3.334 123.192 119.914 -0.094 0.000 2.572 121 V HA 0.119 4.239 4.120 -0.000 0.000 0.291 121 V C -1.983 173.901 176.094 -0.349 0.000 1.039 121 V CA -1.113 60.985 62.300 -0.336 0.000 1.055 121 V CB 0.505 32.201 31.823 -0.210 0.000 0.969 121 V HN 0.590 nan 8.190 nan 0.000 0.482 122 P HA -0.011 nan 4.420 nan 0.000 0.264 122 P C 0.608 177.796 177.300 -0.186 0.000 1.183 122 P CA 0.243 63.164 63.100 -0.297 0.000 0.763 122 P CB 0.436 31.948 31.700 -0.314 0.000 0.807 123 D N 2.321 122.661 120.400 -0.099 0.000 2.190 123 D HA -0.216 4.424 4.640 -0.000 0.000 0.200 123 D C 1.044 177.316 176.300 -0.046 0.000 0.992 123 D CA 1.529 55.498 54.000 -0.052 0.000 0.854 123 D CB 0.087 40.871 40.800 -0.027 0.000 0.936 123 D HN 0.401 nan 8.370 nan 0.000 0.462 124 E N -0.770 119.398 120.200 -0.053 0.000 2.482 124 E HA 0.057 4.407 4.350 -0.000 0.000 0.196 124 E C -0.067 176.512 176.600 -0.035 0.000 1.047 124 E CA -0.018 56.363 56.400 -0.032 0.000 0.869 124 E CB 0.408 30.097 29.700 -0.019 0.000 0.836 124 E HN 0.107 nan 8.360 nan 0.000 0.520 125 V N 1.782 121.653 119.914 -0.072 0.000 2.415 125 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 125 V C 0.846 176.924 176.094 -0.026 0.000 1.042 125 V CA 0.558 62.823 62.300 -0.057 0.000 1.000 125 V CB 0.975 32.716 31.823 -0.138 0.000 1.015 125 V HN 0.151 nan 8.190 nan 0.000 0.478 126 K N 2.310 122.712 120.400 0.002 0.000 2.481 126 K HA 0.206 4.526 4.320 -0.000 0.000 0.210 126 K C 0.426 177.037 176.600 0.018 0.000 1.161 126 K CA 0.053 56.344 56.287 0.008 0.000 1.023 126 K CB 1.122 33.628 32.500 0.009 0.000 0.971 126 K HN 0.735 nan 8.250 nan 0.000 0.577 127 S N -0.724 114.996 115.700 0.033 0.000 2.667 127 S HA 0.198 4.667 4.470 -0.000 0.000 0.292 127 S C 1.027 175.667 174.600 0.066 0.000 1.126 127 S CA -0.426 57.798 58.200 0.041 0.000 0.881 127 S CB 1.626 64.852 63.200 0.043 0.000 1.132 127 S HN 0.047 nan 8.310 nan 0.000 0.492 128 S N 1.034 116.773 115.700 0.066 0.000 2.419 128 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 128 S C 1.655 176.353 174.600 0.162 0.000 1.016 128 S CA 1.476 59.736 58.200 0.100 0.000 0.974 128 S CB -1.013 62.229 63.200 0.070 0.000 0.786 128 S HN 0.616 nan 8.310 nan 0.000 0.492 129 S N 1.986 117.760 115.700 0.123 0.000 2.371 129 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 129 S C 1.563 176.244 174.600 0.135 0.000 1.029 129 S CA 1.158 59.432 58.200 0.124 0.000 0.978 129 S CB -0.586 62.664 63.200 0.084 0.000 0.833 129 S HN 0.548 nan 8.310 nan 0.000 0.466 130 D N 1.298 121.766 120.400 0.114 0.000 2.123 130 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 130 D C 1.860 178.265 176.300 0.175 0.000 0.992 130 D CA 0.630 54.698 54.000 0.112 0.000 0.833 130 D CB -0.409 40.432 40.800 0.069 0.000 0.954 130 D HN 0.167 nan 8.370 nan 0.000 0.455 131 L N 0.468 121.821 121.223 0.217 0.000 1.994 131 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 131 L C 2.224 179.398 176.870 0.506 0.000 1.071 131 L CA 1.240 56.289 54.840 0.348 0.000 0.745 131 L CB -0.810 41.463 42.059 0.357 0.000 0.892 131 L HN 0.045 nan 8.230 nan 0.000 0.431 132 L N -0.575 120.941 121.223 0.488 0.000 2.042 132 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 132 L C 2.659 179.598 176.870 0.114 0.000 1.076 132 L CA 1.763 56.762 54.840 0.265 0.000 0.749 132 L CB -0.616 41.544 42.059 0.170 0.000 0.893 132 L HN 0.221 nan 8.230 nan 0.000 0.432 133 R N -1.588 119.001 120.500 0.148 0.000 2.073 133 R HA -0.208 4.131 4.340 -0.000 0.000 0.234 133 R C 2.245 178.634 176.300 0.147 0.000 1.134 133 R CA 1.927 58.096 56.100 0.116 0.000 0.952 133 R CB -0.626 29.744 30.300 0.117 0.000 0.850 133 R HN 0.473 nan 8.270 nan 0.000 0.433 134 F N 0.305 120.276 119.950 0.034 0.000 2.043 134 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 134 F C 1.597 177.429 175.800 0.054 0.000 1.121 134 F CA 1.623 59.606 58.000 -0.029 0.000 1.199 134 F CB -0.814 38.071 39.000 -0.191 0.000 0.968 134 F HN 0.022 nan 8.300 nan 0.000 0.478 135 Y N 0.484 120.674 120.300 -0.183 0.000 2.293 135 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 135 Y C 2.635 178.657 175.900 0.203 0.000 1.137 135 Y CA 1.526 59.569 58.100 -0.095 0.000 1.202 135 Y CB -0.990 37.416 38.460 -0.090 0.000 0.990 135 Y HN 0.188 nan 8.280 nan 0.000 0.537 136 Q N -0.186 119.713 119.800 0.164 0.000 2.224 136 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 136 Q C 1.345 177.459 176.000 0.189 0.000 0.970 136 Q CA 0.903 56.799 55.803 0.155 0.000 0.865 136 Q CB -0.207 28.534 28.738 0.004 0.000 0.922 136 Q HN 0.507 nan 8.270 nan 0.000 0.445 137 N N -0.747 118.034 118.700 0.135 0.000 2.392 137 N HA -0.052 4.688 4.740 -0.000 0.000 0.177 137 N C -0.009 175.550 175.510 0.080 0.000 1.066 137 N CA -0.057 53.046 53.050 0.089 0.000 0.895 137 N CB 0.027 38.563 38.487 0.082 0.000 0.988 137 N HN 0.212 nan 8.380 nan 0.000 0.457 138 W N 3.270 124.506 121.300 -0.106 0.000 2.264 138 W HA 0.059 4.719 4.660 -0.000 0.000 0.331 138 W C -0.413 176.019 176.519 -0.146 0.000 1.364 138 W CA 0.182 57.430 57.345 -0.162 0.000 1.253 138 W CB 0.517 29.825 29.460 -0.254 0.000 1.215 138 W HN -0.098 nan 8.180 nan 0.000 0.561 139 Q N 7.435 126.652 119.800 -0.971 0.000 2.331 139 Q HA 0.302 4.642 4.340 -0.000 0.000 0.267 139 Q C -2.128 172.951 176.000 -1.534 0.000 1.006 139 Q CA -2.170 52.994 55.803 -1.066 0.000 0.818 139 Q CB 1.300 29.718 28.738 -0.533 0.000 1.276 139 Q HN 0.341 nan 8.270 nan 0.000 0.450 140 P HA -0.024 nan 4.420 nan 0.000 0.262 140 P C -0.085 176.814 177.300 -0.668 0.000 1.182 140 P CA 0.346 62.786 63.100 -1.100 0.000 0.761 140 P CB 0.706 31.967 31.700 -0.731 0.000 0.795 141 A N 3.139 125.586 122.820 -0.621 0.000 2.081 141 A HA 0.110 4.430 4.320 -0.000 0.000 0.214 141 A C 0.166 177.082 177.584 -1.114 0.000 1.158 141 A CA 0.752 52.196 52.037 -0.989 0.000 0.724 141 A CB -0.079 17.986 19.000 -1.558 0.000 0.826 141 A HN 0.533 nan 8.150 nan 0.000 0.463 142 W N -2.828 118.424 121.300 -0.080 0.000 3.018 142 W HA 0.638 5.298 4.660 -0.000 0.000 0.352 142 W C -0.042 176.422 176.519 -0.092 0.000 1.230 142 W CA -1.183 56.118 57.345 -0.072 0.000 1.162 142 W CB 0.930 30.361 29.460 -0.047 0.000 1.483 142 W HN 0.109 nan 8.180 nan 0.000 0.584 143 A N 2.155 125.067 122.820 0.154 0.000 2.366 143 A HA 0.586 4.906 4.320 -0.000 0.000 0.249 143 A C -2.256 175.336 177.584 0.012 0.000 1.084 143 A CA -0.890 51.172 52.037 0.042 0.000 0.794 143 A CB -0.739 18.285 19.000 0.039 0.000 1.034 143 A HN 0.127 nan 8.150 nan 0.000 0.491 144 P HA 0.277 nan 4.420 nan 0.000 0.268 144 P C 0.779 177.930 177.300 -0.247 0.000 1.205 144 P CA 1.587 64.503 63.100 -0.307 0.000 0.771 144 P CB 0.470 31.903 31.700 -0.445 0.000 0.858 145 G N 1.649 110.257 108.800 -0.320 0.000 2.198 145 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 145 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 145 G C 0.618 175.450 174.900 -0.114 0.000 1.025 145 G CA 0.751 45.802 45.100 -0.082 0.000 0.769 145 G HN 0.699 nan 8.290 nan 0.000 0.507 146 T N -5.217 109.236 114.554 -0.170 0.000 3.028 146 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 146 T C 0.550 175.096 174.700 -0.256 0.000 0.979 146 T CA 0.702 62.725 62.100 -0.129 0.000 1.004 146 T CB 0.665 69.503 68.868 -0.050 0.000 1.120 146 T HN 0.279 nan 8.240 nan 0.000 0.482 147 Q N 0.932 120.535 119.800 -0.327 0.000 2.394 147 Q HA 0.505 4.845 4.340 -0.000 0.000 0.273 147 Q C -1.300 174.499 176.000 -0.337 0.000 1.089 147 Q CA -0.568 54.956 55.803 -0.466 0.000 0.812 147 Q CB 3.111 31.246 28.738 -1.005 0.000 1.353 147 Q HN 0.374 nan 8.270 nan 0.000 0.438 148 R N 2.057 122.392 120.500 -0.274 0.000 2.255 148 R HA 0.524 4.863 4.340 -0.000 0.000 0.326 148 R C -1.277 175.000 176.300 -0.038 0.000 0.986 148 R CA -0.604 55.426 56.100 -0.118 0.000 0.847 148 R CB 0.509 30.774 30.300 -0.057 0.000 1.111 148 R HN 0.459 nan 8.270 nan 0.000 0.452 149 L N 5.980 127.248 121.223 0.076 0.000 2.377 149 L HA 0.276 4.616 4.340 -0.000 0.000 0.270 149 L C -1.296 175.608 176.870 0.057 0.000 0.991 149 L CA -0.709 54.197 54.840 0.110 0.000 0.851 149 L CB 1.000 43.207 42.059 0.247 0.000 1.218 149 L HN 0.614 nan 8.230 nan 0.000 0.420 150 Y N 4.845 125.016 120.300 -0.214 0.000 2.881 150 Y HA 0.331 4.880 4.550 -0.000 0.000 0.335 150 Y C 0.090 175.782 175.900 -0.345 0.000 1.263 150 Y CA 0.996 58.742 58.100 -0.589 0.000 1.572 150 Y CB 0.399 38.606 38.460 -0.422 0.000 1.237 150 Y HN 0.833 nan 8.280 nan 0.000 0.568 151 A N 5.549 127.882 122.820 -0.812 0.000 2.513 151 A HA 0.292 4.612 4.320 -0.000 0.000 0.296 151 A C -0.187 177.266 177.584 -0.218 0.000 1.052 151 A CA -0.917 50.933 52.037 -0.311 0.000 0.714 151 A CB 0.906 19.899 19.000 -0.012 0.000 1.279 151 A HN 0.777 nan 8.150 nan 0.000 0.397 152 N N 1.039 119.666 118.700 -0.121 0.000 2.244 152 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 152 N C 2.031 177.605 175.510 0.107 0.000 1.016 152 N CA 1.889 54.954 53.050 0.025 0.000 0.866 152 N CB -0.106 38.459 38.487 0.130 0.000 0.980 152 N HN 0.836 nan 8.380 nan 0.000 0.430 153 S N -0.831 114.952 115.700 0.138 0.000 2.447 153 S HA -0.009 4.461 4.470 -0.000 0.000 0.233 153 S C 2.052 176.826 174.600 0.290 0.000 1.006 153 S CA 1.100 59.462 58.200 0.270 0.000 0.957 153 S CB -0.114 63.290 63.200 0.339 0.000 0.773 153 S HN 0.214 nan 8.310 nan 0.000 0.507 154 S N 1.317 117.132 115.700 0.191 0.000 2.315 154 S HA 0.210 4.680 4.470 -0.000 0.000 0.211 154 S C 1.694 176.384 174.600 0.150 0.000 1.029 154 S CA 0.565 58.866 58.200 0.168 0.000 0.956 154 S CB -0.613 62.705 63.200 0.197 0.000 0.918 154 S HN 0.573 nan 8.310 nan 0.000 0.470 155 I N 1.255 121.920 120.570 0.159 0.000 2.493 155 I HA 0.003 4.173 4.170 -0.000 0.000 0.254 155 I C 2.110 178.310 176.117 0.137 0.000 1.160 155 I CA 1.170 62.548 61.300 0.130 0.000 1.445 155 I CB -0.649 37.412 38.000 0.102 0.000 1.086 155 I HN 0.488 nan 8.210 nan 0.000 0.433 156 G N 1.117 109.969 108.800 0.086 0.000 2.440 156 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 156 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 156 G C 1.536 176.400 174.900 -0.059 0.000 1.154 156 G CA 0.977 46.068 45.100 -0.015 0.000 0.767 156 G HN 0.408 nan 8.290 nan 0.000 0.552 157 L N -0.355 120.878 121.223 0.017 0.000 2.109 157 L HA 0.182 4.522 4.340 -0.000 0.000 0.207 157 L C 2.409 179.224 176.870 -0.091 0.000 1.086 157 L CA 1.380 56.164 54.840 -0.093 0.000 0.760 157 L CB -0.677 41.270 42.059 -0.186 0.000 0.910 157 L HN 0.221 nan 8.230 nan 0.000 0.437 158 F N 0.580 120.459 119.950 -0.117 0.000 2.065 158 F HA -0.109 4.417 4.527 -0.000 0.000 0.298 158 F C 2.202 177.932 175.800 -0.118 0.000 1.112 158 F CA 1.896 59.828 58.000 -0.113 0.000 1.212 158 F CB -1.103 37.843 39.000 -0.090 0.000 0.975 158 F HN 0.117 nan 8.300 nan 0.000 0.476 159 G N -0.319 108.354 108.800 -0.211 0.000 2.440 159 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 159 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 159 G C 1.795 176.532 174.900 -0.271 0.000 1.154 159 G CA 1.031 45.985 45.100 -0.244 0.000 0.767 159 G HN 0.682 nan 8.290 nan 0.000 0.552 160 A N 0.234 122.841 122.820 -0.356 0.000 1.968 160 A HA 0.214 4.534 4.320 -0.000 0.000 0.217 160 A C 2.402 179.816 177.584 -0.284 0.000 1.169 160 A CA 1.058 52.913 52.037 -0.304 0.000 0.638 160 A CB -0.255 18.535 19.000 -0.351 0.000 0.812 160 A HN 0.360 nan 8.150 nan 0.000 0.446 161 L N -1.038 119.980 121.223 -0.342 0.000 2.179 161 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 161 L C 3.004 179.627 176.870 -0.412 0.000 1.096 161 L CA 0.731 55.377 54.840 -0.325 0.000 0.779 161 L CB -0.554 41.342 42.059 -0.272 0.000 0.922 161 L HN 0.403 nan 8.230 nan 0.000 0.443 162 A N 0.548 123.033 122.820 -0.558 0.000 1.940 162 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 162 A C 2.209 179.598 177.584 -0.325 0.000 1.176 162 A CA 2.063 53.748 52.037 -0.587 0.000 0.631 162 A CB -0.797 17.715 19.000 -0.814 0.000 0.814 162 A HN 0.337 nan 8.150 nan 0.000 0.446 163 V N -3.702 116.083 119.914 -0.215 0.000 3.306 163 V HA -0.013 4.107 4.120 -0.000 0.000 0.264 163 V C 1.844 177.876 176.094 -0.103 0.000 1.149 163 V CA 1.170 63.385 62.300 -0.141 0.000 1.143 163 V CB -0.579 31.184 31.823 -0.099 0.000 0.767 163 V HN 0.204 nan 8.190 nan 0.000 0.476 164 K N 1.553 121.893 120.400 -0.101 0.000 2.032 164 K HA -0.143 4.177 4.320 -0.000 0.000 0.218 164 K C 0.379 176.976 176.600 -0.005 0.000 1.054 164 K CA 2.471 58.731 56.287 -0.044 0.000 0.941 164 K CB -2.246 30.258 32.500 0.007 0.000 0.720 164 K HN 0.443 nan 8.250 nan 0.000 0.449 165 P HA -0.154 nan 4.420 nan 0.000 0.216 165 P C 1.478 178.777 177.300 -0.001 0.000 1.154 165 P CA 2.045 65.169 63.100 0.041 0.000 0.865 165 P CB -0.137 31.610 31.700 0.078 0.000 0.789 166 S N -1.741 113.942 115.700 -0.029 0.000 2.474 166 S HA 0.037 4.507 4.470 -0.000 0.000 0.235 166 S C 1.876 176.451 174.600 -0.041 0.000 0.997 166 S CA 0.994 59.169 58.200 -0.042 0.000 0.949 166 S CB -1.532 61.627 63.200 -0.069 0.000 0.766 166 S HN 0.323 nan 8.310 nan 0.000 0.517 167 G N 0.642 109.419 108.800 -0.039 0.000 2.189 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G C 0.006 174.878 174.900 -0.047 0.000 0.975 167 G CA 0.641 45.719 45.100 -0.037 0.000 0.644 167 G HN 0.587 nan 8.290 nan 0.000 0.537 168 L N 1.375 122.561 121.223 -0.062 0.000 2.421 168 L HA 0.590 4.930 4.340 -0.000 0.000 0.263 168 L C 1.481 178.309 176.870 -0.070 0.000 1.122 168 L CA -0.260 54.536 54.840 -0.073 0.000 0.804 168 L CB 1.288 43.286 42.059 -0.101 0.000 1.150 168 L HN 0.376 nan 8.230 nan 0.000 0.457 169 S N 0.195 115.857 115.700 -0.062 0.000 2.600 169 S HA 0.062 4.532 4.470 -0.000 0.000 0.265 169 S C 0.808 175.385 174.600 -0.038 0.000 1.325 169 S CA -0.383 57.796 58.200 -0.036 0.000 1.002 169 S CB 0.478 63.663 63.200 -0.025 0.000 0.921 169 S HN 0.544 nan 8.310 nan 0.000 0.554 170 F N 1.136 121.001 119.950 -0.142 0.000 2.126 170 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 170 F C 2.463 178.156 175.800 -0.179 0.000 1.096 170 F CA 2.164 60.063 58.000 -0.168 0.000 1.255 170 F CB -0.373 38.526 39.000 -0.169 0.000 0.997 170 F HN 0.944 nan 8.300 nan 0.000 0.479 171 E N -0.551 119.626 120.200 -0.038 0.000 2.051 171 E HA -0.240 4.109 4.350 -0.000 0.000 0.192 171 E C 2.153 178.614 176.600 -0.232 0.000 0.991 171 E CA 1.241 57.564 56.400 -0.129 0.000 0.799 171 E CB -0.121 29.581 29.700 0.003 0.000 0.748 171 E HN 0.372 nan 8.360 nan 0.000 0.449 172 Q N 0.000 119.701 119.800 -0.166 0.000 2.119 172 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 172 Q C 2.065 177.919 176.000 -0.244 0.000 0.972 172 Q CA 1.351 57.054 55.803 -0.165 0.000 0.847 172 Q CB -0.339 28.336 28.738 -0.104 0.000 0.903 172 Q HN 0.391 nan 8.270 nan 0.000 0.433 173 A N 0.521 123.162 122.820 -0.298 0.000 1.877 173 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 173 A C 2.145 179.456 177.584 -0.456 0.000 1.186 173 A CA 1.795 53.633 52.037 -0.332 0.000 0.620 173 A CB -0.463 18.333 19.000 -0.340 0.000 0.822 173 A HN 0.336 nan 8.150 nan 0.000 0.443 174 M N 0.125 119.319 119.600 -0.678 0.000 2.086 174 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 174 M C 2.172 177.902 176.300 -0.949 0.000 1.067 174 M CA 2.052 56.809 55.300 -0.905 0.000 1.116 174 M CB -0.617 31.277 32.600 -1.176 0.000 1.348 174 M HN 0.546 nan 8.290 nan 0.000 0.407 175 Q N -1.128 118.258 119.800 -0.690 0.000 2.020 175 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 175 Q C 1.934 177.777 176.000 -0.262 0.000 0.982 175 Q CA 2.260 57.816 55.803 -0.413 0.000 0.838 175 Q CB -0.755 27.851 28.738 -0.221 0.000 0.899 175 Q HN 0.750 nan 8.270 nan 0.000 0.423 176 T N -1.664 112.751 114.554 -0.232 0.000 3.023 176 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 176 T C 1.712 176.328 174.700 -0.140 0.000 1.093 176 T CA 0.531 62.538 62.100 -0.154 0.000 1.129 176 T CB 0.063 68.855 68.868 -0.127 0.000 0.899 176 T HN 0.148 nan 8.240 nan 0.000 0.491 177 R N -0.176 120.211 120.500 -0.188 0.000 2.254 177 R HA 0.383 4.723 4.340 -0.000 0.000 0.193 177 R C 1.558 177.799 176.300 -0.099 0.000 0.929 177 R CA 0.234 56.253 56.100 -0.135 0.000 1.038 177 R CB 0.464 30.674 30.300 -0.151 0.000 1.009 177 R HN 0.293 nan 8.270 nan 0.000 0.512 178 V N -0.906 118.911 119.914 -0.162 0.000 3.134 178 V HA 0.030 4.150 4.120 -0.000 0.000 0.222 178 V C 1.432 177.581 176.094 0.092 0.000 1.247 178 V CA 0.437 62.715 62.300 -0.038 0.000 1.281 178 V CB -0.385 31.375 31.823 -0.104 0.000 1.169 178 V HN -0.032 nan 8.190 nan 0.000 0.512 179 F N 1.556 121.416 119.950 -0.150 0.000 2.095 179 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 179 F C 2.606 178.308 175.800 -0.164 0.000 1.104 179 F CA 1.637 59.509 58.000 -0.213 0.000 1.232 179 F CB -1.194 37.572 39.000 -0.391 0.000 0.987 179 F HN 0.217 nan 8.300 nan 0.000 0.475 180 Q N -0.381 119.440 119.800 0.036 0.000 2.046 180 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 180 Q C -0.311 175.688 176.000 -0.001 0.000 0.975 180 Q CA 1.607 57.397 55.803 -0.022 0.000 0.836 180 Q CB -1.418 27.286 28.738 -0.056 0.000 0.896 180 Q HN 0.275 nan 8.270 nan 0.000 0.428 181 P HA -0.147 nan 4.420 nan 0.000 0.218 181 P C 0.675 178.001 177.300 0.044 0.000 1.148 181 P CA 1.161 64.273 63.100 0.020 0.000 0.822 181 P CB 0.050 31.762 31.700 0.021 0.000 0.784 182 L N -1.292 119.983 121.223 0.086 0.000 2.591 182 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 182 L C 0.425 177.345 176.870 0.082 0.000 1.133 182 L CA 0.238 55.149 54.840 0.119 0.000 0.880 182 L CB -0.698 41.505 42.059 0.240 0.000 1.033 182 L HN -0.021 nan 8.230 nan 0.000 0.450 183 K N 0.725 121.146 120.400 0.035 0.000 3.125 183 K HA -0.164 4.156 4.320 -0.000 0.000 0.268 183 K C -0.271 176.311 176.600 -0.030 0.000 1.078 183 K CA 0.354 56.638 56.287 -0.006 0.000 0.775 183 K CB -1.788 30.715 32.500 0.005 0.000 1.253 183 K HN 0.319 nan 8.250 nan 0.000 0.486 184 L N 1.465 122.651 121.223 -0.062 0.000 2.422 184 L HA 0.136 4.476 4.340 -0.000 0.000 0.256 184 L C 0.929 177.599 176.870 -0.334 0.000 1.202 184 L CA -0.530 54.211 54.840 -0.165 0.000 1.119 184 L CB 0.104 42.025 42.059 -0.230 0.000 1.383 184 L HN 0.155 nan 8.230 nan 0.000 0.411 185 N N 0.396 118.919 118.700 -0.296 0.000 2.521 185 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 185 N C 0.544 175.611 175.510 -0.738 0.000 1.146 185 N CA 0.643 53.408 53.050 -0.474 0.000 0.893 185 N CB 0.141 38.381 38.487 -0.411 0.000 0.975 185 N HN 0.514 nan 8.380 nan 0.000 0.451 186 H N -0.886 118.053 119.070 -0.218 0.000 2.767 186 H HA 0.251 4.807 4.556 -0.000 0.000 0.235 186 H C -0.393 174.787 175.328 -0.248 0.000 1.256 186 H CA -0.138 55.859 56.048 -0.086 0.000 0.957 186 H CB 0.387 30.144 29.762 -0.008 0.000 2.117 186 H HN -0.128 nan 8.280 nan 0.000 0.602 187 T N 0.875 115.032 114.554 -0.661 0.000 2.812 187 T HA 0.370 4.720 4.350 -0.000 0.000 0.282 187 T C -0.743 173.196 174.700 -1.268 0.000 0.990 187 T CA -0.443 61.106 62.100 -0.920 0.000 0.960 187 T CB 1.443 69.520 68.868 -1.319 0.000 0.948 187 T HN 0.215 nan 8.240 nan 0.000 0.438 188 W N 1.668 122.630 121.300 -0.564 0.000 3.107 188 W HA 0.562 5.222 4.660 0.000 0.000 0.331 188 W C 0.593 176.980 176.519 -0.220 0.000 1.204 188 W CA -0.817 56.337 57.345 -0.319 0.000 1.184 188 W CB 1.092 30.391 29.460 -0.267 0.000 1.421 188 W HN 0.485 nan 8.180 nan 0.000 0.544 189 I N 1.150 121.838 120.570 0.196 0.000 2.494 189 I HA 0.001 4.171 4.170 -0.000 0.000 0.250 189 I C -0.048 176.103 176.117 0.056 0.000 1.112 189 I CA 0.747 62.104 61.300 0.096 0.000 1.438 189 I CB -0.034 38.036 38.000 0.116 0.000 1.111 189 I HN 0.339 nan 8.210 nan 0.000 0.431 190 N N 0.240 119.012 118.700 0.120 0.000 2.479 190 N HA 0.292 5.032 4.740 -0.000 0.000 0.261 190 N C -0.908 174.530 175.510 -0.119 0.000 0.979 190 N CA -0.326 52.723 53.050 -0.003 0.000 0.930 190 N CB 2.344 40.832 38.487 0.003 0.000 1.172 190 N HN -0.199 nan 8.380 nan 0.000 0.499 191 V N 4.324 124.073 119.914 -0.275 0.000 2.485 191 V HA 0.153 4.273 4.120 -0.000 0.000 0.287 191 V C -1.389 174.381 176.094 -0.541 0.000 1.022 191 V CA -0.913 61.073 62.300 -0.523 0.000 1.067 191 V CB -0.065 31.430 31.823 -0.546 0.000 0.967 191 V HN 0.613 nan 8.190 nan 0.000 0.479 192 P HA 0.266 nan 4.420 nan 0.000 0.274 192 P C -2.321 174.757 177.300 -0.370 0.000 1.246 192 P CA -1.761 60.979 63.100 -0.600 0.000 0.795 192 P CB 0.586 31.786 31.700 -0.833 0.000 1.006 193 P HA -0.211 nan 4.420 nan 0.000 0.216 193 P C 1.554 178.776 177.300 -0.131 0.000 1.157 193 P CA 2.412 65.427 63.100 -0.143 0.000 0.880 193 P CB -0.531 31.108 31.700 -0.102 0.000 0.791 194 A N -0.318 122.414 122.820 -0.146 0.000 2.024 194 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 194 A C 2.005 179.533 177.584 -0.094 0.000 1.164 194 A CA 1.558 53.536 52.037 -0.098 0.000 0.643 194 A CB -0.844 18.109 19.000 -0.078 0.000 0.806 194 A HN 0.132 nan 8.150 nan 0.000 0.451 195 E N -0.614 119.483 120.200 -0.172 0.000 2.472 195 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 195 E C 1.453 177.995 176.600 -0.097 0.000 1.033 195 E CA 0.145 56.461 56.400 -0.139 0.000 0.886 195 E CB -0.037 29.509 29.700 -0.256 0.000 0.944 195 E HN 0.752 nan 8.360 nan 0.000 0.492 196 E N 1.338 121.487 120.200 -0.085 0.000 2.097 196 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 196 E C 1.958 178.570 176.600 0.020 0.000 1.000 196 E CA 1.696 58.088 56.400 -0.013 0.000 0.804 196 E CB -0.059 29.632 29.700 -0.016 0.000 0.740 196 E HN 0.246 nan 8.360 nan 0.000 0.454 197 K N 0.122 120.528 120.400 0.010 0.000 2.280 197 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 197 K C 1.070 177.689 176.600 0.032 0.000 1.047 197 K CA 1.777 58.080 56.287 0.026 0.000 0.942 197 K CB -0.138 32.373 32.500 0.018 0.000 0.739 197 K HN 0.048 nan 8.250 nan 0.000 0.457 198 N N -0.410 118.303 118.700 0.023 0.000 2.280 198 N HA -0.002 4.738 4.740 -0.000 0.000 0.192 198 N C -0.815 174.728 175.510 0.055 0.000 1.109 198 N CA -0.346 52.717 53.050 0.022 0.000 0.855 198 N CB 0.249 38.731 38.487 -0.008 0.000 0.974 198 N HN 0.221 nan 8.380 nan 0.000 0.482 199 Y N 2.318 122.544 120.300 -0.124 0.000 2.640 199 Y HA 0.295 4.845 4.550 -0.000 0.000 0.355 199 Y C 0.411 176.216 175.900 -0.158 0.000 1.088 199 Y CA -1.404 56.587 58.100 -0.181 0.000 1.443 199 Y CB 0.031 38.324 38.460 -0.280 0.000 1.224 199 Y HN 0.018 nan 8.280 nan 0.000 0.516 200 A N 5.957 128.866 122.820 0.148 0.000 2.507 200 A HA -0.066 4.254 4.320 -0.000 0.000 0.235 200 A C -0.989 176.627 177.584 0.053 0.000 1.070 200 A CA -0.001 52.077 52.037 0.067 0.000 0.768 200 A CB 0.268 19.234 19.000 -0.056 0.000 1.011 200 A HN 0.931 nan 8.150 nan 0.000 0.502 201 W N 0.442 121.755 121.300 0.021 0.000 2.376 201 W HA 0.499 5.159 4.660 -0.000 0.000 0.322 201 W C 0.833 177.043 176.519 -0.515 0.000 1.160 201 W CA 0.401 57.559 57.345 -0.312 0.000 1.218 201 W CB 1.400 30.536 29.460 -0.539 0.000 1.205 201 W HN 0.949 nan 8.180 nan 0.000 0.559 202 G N 1.553 110.144 108.800 -0.349 0.000 2.476 202 G HA2 0.499 4.459 3.960 -0.000 0.000 0.286 202 G HA3 0.499 4.459 3.960 -0.000 0.000 0.286 202 G C -2.124 172.378 174.900 -0.664 0.000 1.177 202 G CA -0.439 44.164 45.100 -0.828 0.000 0.870 202 G HN 0.429 nan 8.290 nan 0.000 0.528 203 Y N -0.307 119.891 120.300 -0.169 0.000 2.338 203 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 203 Y C 0.422 176.309 175.900 -0.021 0.000 0.968 203 Y CA -0.792 57.272 58.100 -0.059 0.000 1.123 203 Y CB 2.320 40.753 38.460 -0.044 0.000 1.165 203 Y HN 0.507 nan 8.280 nan 0.000 0.452 204 R N 2.739 123.296 120.500 0.096 0.000 2.502 204 R HA 0.311 4.651 4.340 -0.000 0.000 0.300 204 R C -0.694 175.647 176.300 0.069 0.000 0.984 204 R CA -0.378 55.770 56.100 0.080 0.000 0.882 204 R CB 0.804 31.138 30.300 0.058 0.000 1.180 204 R HN 0.898 nan 8.270 nan 0.000 0.444 205 E N 2.726 122.965 120.200 0.065 0.000 2.360 205 E HA -0.261 4.088 4.350 -0.000 0.000 0.238 205 E C 0.498 177.127 176.600 0.049 0.000 1.186 205 E CA 0.731 57.159 56.400 0.046 0.000 0.719 205 E CB -1.255 28.463 29.700 0.031 0.000 1.236 205 E HN 1.192 nan 8.360 nan 0.000 0.386 206 G N 0.007 108.855 108.800 0.079 0.000 2.196 206 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.268 206 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.268 206 G C 0.214 175.194 174.900 0.133 0.000 0.975 206 G CA 1.188 46.341 45.100 0.089 0.000 0.648 206 G HN 0.325 nan 8.290 nan 0.000 0.538 207 K N 0.584 121.040 120.400 0.093 0.000 2.130 207 K HA 0.702 5.022 4.320 -0.000 0.000 0.268 207 K C 0.477 177.021 176.600 -0.092 0.000 0.983 207 K CA -0.080 56.210 56.287 0.005 0.000 0.893 207 K CB 1.766 34.243 32.500 -0.039 0.000 1.066 207 K HN 0.435 nan 8.250 nan 0.000 0.450 208 A N 2.231 124.872 122.820 -0.299 0.000 2.450 208 A HA 0.429 4.749 4.320 -0.000 0.000 0.255 208 A C -0.044 177.321 177.584 -0.364 0.000 1.096 208 A CA -0.369 51.265 52.037 -0.672 0.000 0.778 208 A CB -0.105 18.255 19.000 -1.067 0.000 1.031 208 A HN 0.560 nan 8.150 nan 0.000 0.494 209 V N 0.681 120.525 119.914 -0.118 0.000 3.188 209 V HA 0.731 4.851 4.120 -0.000 0.000 0.305 209 V C -0.745 175.444 176.094 0.159 0.000 1.232 209 V CA -0.861 61.488 62.300 0.081 0.000 1.043 209 V CB 1.341 33.196 31.823 0.053 0.000 1.068 209 V HN 0.994 nan 8.190 nan 0.000 0.439 210 H N -0.301 118.896 119.070 0.212 0.000 2.821 210 H HA 0.697 5.253 4.556 -0.000 0.000 0.373 210 H C -0.759 174.668 175.328 0.165 0.000 1.165 210 H CA -0.898 55.221 56.048 0.118 0.000 1.154 210 H CB 2.324 32.023 29.762 -0.104 0.000 1.765 210 H HN 0.796 nan 8.280 nan 0.000 0.549 211 V N 2.175 122.285 119.914 0.326 0.000 2.763 211 V HA 0.030 4.150 4.120 -0.000 0.000 0.306 211 V C -0.189 176.029 176.094 0.207 0.000 1.059 211 V CA 0.289 62.737 62.300 0.245 0.000 1.138 211 V CB 0.932 32.905 31.823 0.251 0.000 0.940 211 V HN 0.749 nan 8.190 nan 0.000 0.489 212 S N 8.019 123.824 115.700 0.174 0.000 2.586 212 S HA 0.468 4.937 4.470 -0.000 0.000 0.274 212 S C -2.261 172.427 174.600 0.146 0.000 1.281 212 S CA -0.725 57.559 58.200 0.141 0.000 1.035 212 S CB 1.077 64.342 63.200 0.108 0.000 0.962 212 S HN 0.881 nan 8.310 nan 0.000 0.512 213 P HA 0.396 nan 4.420 nan 0.000 0.269 213 P C -0.180 177.173 177.300 0.088 0.000 1.215 213 P CA -0.202 62.947 63.100 0.081 0.000 0.780 213 P CB 0.443 32.172 31.700 0.048 0.000 0.898 214 G N -0.444 108.399 108.800 0.072 0.000 2.673 214 G HA2 0.529 4.489 3.960 -0.000 0.000 0.292 214 G HA3 0.529 4.489 3.960 -0.000 0.000 0.292 214 G C -1.331 173.577 174.900 0.014 0.000 1.450 214 G CA -0.418 44.728 45.100 0.077 0.000 0.837 214 G HN 0.550 nan 8.290 nan 0.000 0.505 215 A N 0.401 123.221 122.820 0.001 0.000 2.520 215 A HA 0.539 4.859 4.320 -0.000 0.000 0.245 215 A C 1.413 178.964 177.584 -0.055 0.000 1.072 215 A CA 0.587 52.607 52.037 -0.029 0.000 0.761 215 A CB -0.414 18.572 19.000 -0.023 0.000 1.004 215 A HN 1.767 nan 8.150 nan 0.000 0.499 216 L N 0.454 121.607 121.223 -0.116 0.000 4.232 216 L HA -0.323 4.017 4.340 -0.000 0.000 0.415 216 L C 1.210 177.878 176.870 -0.338 0.000 1.168 216 L CA 0.696 55.418 54.840 -0.198 0.000 0.966 216 L CB -1.765 40.239 42.059 -0.093 0.000 2.052 216 L HN 1.009 nan 8.230 nan 0.000 0.887 217 D N 0.194 120.360 120.400 -0.391 0.000 2.097 217 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 217 D C 1.973 177.852 176.300 -0.702 0.000 0.984 217 D CA 1.417 54.917 54.000 -0.833 0.000 0.826 217 D CB -0.133 40.355 40.800 -0.520 0.000 0.973 217 D HN 0.423 nan 8.370 nan 0.000 0.460 218 A N 0.742 123.327 122.820 -0.391 0.000 1.908 218 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 218 A C 2.112 179.529 177.584 -0.279 0.000 1.181 218 A CA 1.990 53.886 52.037 -0.234 0.000 0.627 218 A CB -0.723 18.230 19.000 -0.079 0.000 0.818 218 A HN 0.239 nan 8.150 nan 0.000 0.445 219 E N -0.488 119.360 120.200 -0.587 0.000 2.152 219 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 219 E C 1.951 178.415 176.600 -0.226 0.000 0.983 219 E CA 1.211 57.211 56.400 -0.666 0.000 0.818 219 E CB -0.203 28.983 29.700 -0.857 0.000 0.758 219 E HN 0.605 nan 8.360 nan 0.000 0.467 220 A N -0.479 122.202 122.820 -0.233 0.000 2.085 220 A HA 0.114 4.433 4.320 -0.000 0.000 0.208 220 A C 0.697 178.367 177.584 0.144 0.000 1.191 220 A CA 0.499 52.530 52.037 -0.010 0.000 0.799 220 A CB 0.047 19.107 19.000 0.099 0.000 0.877 220 A HN 0.412 nan 8.150 nan 0.000 0.473 221 Y N -4.582 115.743 120.300 0.043 0.000 3.075 221 Y HA 0.426 4.976 4.550 -0.000 0.000 0.270 221 Y C 0.747 176.674 175.900 0.045 0.000 1.071 221 Y CA -0.495 57.644 58.100 0.066 0.000 1.269 221 Y CB -0.456 38.048 38.460 0.074 0.000 1.291 221 Y HN -0.010 nan 8.280 nan 0.000 0.613 222 G N 0.901 109.630 108.800 -0.118 0.000 3.371 222 G HA2 0.408 4.368 3.960 -0.000 0.000 0.248 222 G HA3 0.408 4.368 3.960 -0.000 0.000 0.248 222 G C -0.331 174.546 174.900 -0.037 0.000 1.161 222 G CA 0.023 45.081 45.100 -0.071 0.000 0.796 222 G HN 0.117 nan 8.290 nan 0.000 0.539 223 V N 0.412 120.309 119.914 -0.029 0.000 2.567 223 V HA 0.445 4.565 4.120 -0.000 0.000 0.289 223 V C -0.290 175.712 176.094 -0.153 0.000 1.049 223 V CA -0.499 61.731 62.300 -0.118 0.000 0.969 223 V CB 1.572 33.257 31.823 -0.229 0.000 0.995 223 V HN 0.145 nan 8.190 nan 0.000 0.471 224 K N 2.355 122.618 120.400 -0.227 0.000 2.324 224 K HA 0.789 5.109 4.320 -0.000 0.000 0.253 224 K C -0.543 175.917 176.600 -0.235 0.000 0.932 224 K CA -0.175 55.961 56.287 -0.252 0.000 0.799 224 K CB 2.019 34.258 32.500 -0.436 0.000 1.154 224 K HN 0.717 nan 8.250 nan 0.000 0.425 225 S N 0.230 115.861 115.700 -0.115 0.000 2.656 225 S HA 0.643 5.113 4.470 -0.000 0.000 0.273 225 S C -1.098 173.562 174.600 0.101 0.000 1.168 225 S CA -0.665 57.482 58.200 -0.088 0.000 0.817 225 S CB 0.941 64.049 63.200 -0.153 0.000 1.146 225 S HN 0.675 nan 8.310 nan 0.000 0.475 226 T N 0.009 114.627 114.554 0.107 0.000 2.923 226 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 226 T C 1.193 176.013 174.700 0.200 0.000 0.995 226 T CA -0.532 61.684 62.100 0.193 0.000 0.985 226 T CB 0.756 69.684 68.868 0.100 0.000 1.114 226 T HN 0.424 nan 8.240 nan 0.000 0.548 227 I N 0.713 121.416 120.570 0.222 0.000 2.394 227 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 227 I C 2.337 178.623 176.117 0.280 0.000 1.136 227 I CA 1.382 62.827 61.300 0.242 0.000 1.425 227 I CB -0.607 37.561 38.000 0.279 0.000 1.079 227 I HN 0.796 nan 8.210 nan 0.000 0.425 228 E N -0.051 120.212 120.200 0.105 0.000 2.072 228 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 228 E C 1.678 178.390 176.600 0.187 0.000 0.985 228 E CA 1.379 57.845 56.400 0.110 0.000 0.801 228 E CB -0.199 29.448 29.700 -0.087 0.000 0.750 228 E HN 0.470 nan 8.360 nan 0.000 0.452 229 D N 0.424 120.907 120.400 0.137 0.000 2.117 229 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 229 D C 1.870 178.302 176.300 0.220 0.000 0.987 229 D CA 0.988 55.064 54.000 0.127 0.000 0.829 229 D CB -0.057 40.753 40.800 0.017 0.000 0.961 229 D HN 0.054 nan 8.370 nan 0.000 0.460 230 M N 0.393 120.140 119.600 0.244 0.000 2.159 230 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 230 M C 2.229 178.718 176.300 0.315 0.000 1.063 230 M CA 0.762 56.264 55.300 0.336 0.000 1.110 230 M CB -1.144 31.631 32.600 0.292 0.000 1.374 230 M HN -0.011 nan 8.290 nan 0.000 0.411 231 A N -0.268 122.713 122.820 0.268 0.000 1.902 231 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 231 A C 2.398 180.057 177.584 0.126 0.000 1.181 231 A CA 1.871 54.015 52.037 0.178 0.000 0.623 231 A CB -0.682 18.448 19.000 0.218 0.000 0.818 231 A HN 0.471 nan 8.150 nan 0.000 0.443 232 R N -1.418 119.191 120.500 0.181 0.000 2.075 232 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 232 R C 2.156 178.568 176.300 0.187 0.000 1.126 232 R CA 1.382 57.569 56.100 0.144 0.000 0.963 232 R CB -0.388 30.004 30.300 0.153 0.000 0.858 232 R HN 0.834 nan 8.270 nan 0.000 0.435 233 W N 0.549 121.878 121.300 0.048 0.000 2.342 233 W HA -0.203 4.457 4.660 -0.000 0.000 0.297 233 W C 1.321 177.779 176.519 -0.102 0.000 1.213 233 W CA 1.116 58.481 57.345 0.033 0.000 1.251 233 W CB 0.042 29.580 29.460 0.130 0.000 1.136 233 W HN -0.025 nan 8.180 nan 0.000 0.526 234 V N 1.325 121.164 119.914 -0.125 0.000 2.358 234 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 234 V C 2.355 178.095 176.094 -0.590 0.000 1.047 234 V CA 2.197 64.200 62.300 -0.496 0.000 1.035 234 V CB -0.885 30.773 31.823 -0.274 0.000 0.658 234 V HN 0.239 nan 8.190 nan 0.000 0.452 235 Q N -0.250 119.362 119.800 -0.313 0.000 2.124 235 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 235 Q C 2.457 178.269 176.000 -0.313 0.000 0.977 235 Q CA 1.862 57.499 55.803 -0.276 0.000 0.850 235 Q CB -0.282 28.371 28.738 -0.143 0.000 0.901 235 Q HN 0.583 nan 8.270 nan 0.000 0.429 236 S N 1.008 116.533 115.700 -0.291 0.000 2.368 236 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 236 S C 1.572 175.917 174.600 -0.425 0.000 1.029 236 S CA 0.930 58.970 58.200 -0.267 0.000 0.988 236 S CB -0.167 62.952 63.200 -0.136 0.000 0.838 236 S HN 0.383 nan 8.310 nan 0.000 0.462 237 N N 1.095 119.363 118.700 -0.719 0.000 2.409 237 N HA 0.123 4.862 4.740 -0.000 0.000 0.179 237 N C 1.581 176.621 175.510 -0.784 0.000 1.032 237 N CA 0.458 53.002 53.050 -0.843 0.000 0.898 237 N CB -0.121 37.600 38.487 -1.275 0.000 0.971 237 N HN 0.331 nan 8.380 nan 0.000 0.441 238 L N 0.429 121.162 121.223 -0.816 0.000 2.072 238 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 238 L C 0.693 177.395 176.870 -0.279 0.000 1.079 238 L CA 1.082 55.615 54.840 -0.512 0.000 0.752 238 L CB 0.137 41.922 42.059 -0.457 0.000 0.906 238 L HN -0.087 nan 8.230 nan 0.000 0.436 239 K N -0.424 119.817 120.400 -0.264 0.000 2.679 239 K HA 0.200 4.520 4.320 -0.000 0.000 0.188 239 K C -1.868 174.640 176.600 -0.154 0.000 1.055 239 K CA -1.246 54.936 56.287 -0.175 0.000 1.006 239 K CB 1.343 33.756 32.500 -0.146 0.000 1.317 239 K HN -0.086 nan 8.250 nan 0.000 0.584 240 P HA -0.134 nan 4.420 nan 0.000 0.223 240 P C 1.032 178.288 177.300 -0.074 0.000 1.151 240 P CA 0.809 63.842 63.100 -0.111 0.000 0.787 240 P CB 0.289 31.928 31.700 -0.102 0.000 0.788 241 L N -0.204 120.977 121.223 -0.071 0.000 2.275 241 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 241 L C 1.585 178.427 176.870 -0.048 0.000 1.119 241 L CA 1.226 56.034 54.840 -0.053 0.000 0.790 241 L CB -0.923 41.105 42.059 -0.052 0.000 0.919 241 L HN -0.080 nan 8.230 nan 0.000 0.443 242 D N 0.114 120.480 120.400 -0.056 0.000 2.349 242 D HA 0.136 4.776 4.640 -0.000 0.000 0.224 242 D C 0.722 177.000 176.300 -0.037 0.000 1.029 242 D CA 0.534 54.505 54.000 -0.047 0.000 0.879 242 D CB 0.160 40.926 40.800 -0.056 0.000 0.906 242 D HN 0.248 nan 8.370 nan 0.000 0.528 243 I N 1.609 122.158 120.570 -0.035 0.000 2.352 243 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 243 I C 1.352 177.461 176.117 -0.013 0.000 1.036 243 I CA -0.412 60.876 61.300 -0.020 0.000 1.336 243 I CB 1.034 39.025 38.000 -0.015 0.000 1.407 243 I HN -0.194 nan 8.210 nan 0.000 0.497 244 N N 4.244 122.939 118.700 -0.009 0.000 2.120 244 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 244 N C 0.193 175.700 175.510 -0.006 0.000 1.024 244 N CA 1.080 54.125 53.050 -0.008 0.000 0.852 244 N CB 0.025 38.507 38.487 -0.008 0.000 1.003 244 N HN 0.569 nan 8.380 nan 0.000 0.424 245 E N 1.585 121.785 120.200 -0.001 0.000 2.238 245 E HA 0.028 4.378 4.350 -0.000 0.000 0.264 245 E C 0.807 177.408 176.600 0.001 0.000 1.136 245 E CA 0.152 56.552 56.400 -0.000 0.000 0.929 245 E CB 0.584 30.286 29.700 0.004 0.000 1.010 245 E HN 0.129 nan 8.360 nan 0.000 0.440 246 K N 1.207 121.605 120.400 -0.002 0.000 2.044 246 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 246 K C 1.919 178.521 176.600 0.004 0.000 1.049 246 K CA 2.068 58.355 56.287 -0.001 0.000 0.927 246 K CB -0.165 32.334 32.500 -0.003 0.000 0.713 246 K HN 0.631 nan 8.250 nan 0.000 0.443 247 T N -0.320 114.237 114.554 0.005 0.000 2.951 247 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 247 T C 1.745 176.457 174.700 0.021 0.000 1.073 247 T CA 0.690 62.796 62.100 0.011 0.000 1.134 247 T CB -0.119 68.752 68.868 0.005 0.000 0.884 247 T HN 0.021 nan 8.240 nan 0.000 0.479 248 L N 1.184 122.420 121.223 0.021 0.000 2.072 248 L HA 0.131 4.471 4.340 -0.000 0.000 0.205 248 L C 2.803 179.694 176.870 0.035 0.000 1.079 248 L CA 1.693 56.556 54.840 0.039 0.000 0.752 248 L CB -1.038 41.047 42.059 0.044 0.000 0.906 248 L HN 0.359 nan 8.230 nan 0.000 0.436 249 Q N -0.824 118.985 119.800 0.015 0.000 2.061 249 Q HA -0.304 4.036 4.340 -0.000 0.000 0.204 249 Q C 2.172 178.174 176.000 0.004 0.000 0.984 249 Q CA 2.346 58.148 55.803 -0.002 0.000 0.846 249 Q CB -0.145 28.587 28.738 -0.010 0.000 0.902 249 Q HN 0.637 nan 8.270 nan 0.000 0.421 250 Q N -0.744 119.063 119.800 0.013 0.000 2.167 250 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 250 Q C 1.990 178.016 176.000 0.044 0.000 0.970 250 Q CA 1.232 57.047 55.803 0.021 0.000 0.855 250 Q CB -0.181 28.570 28.738 0.021 0.000 0.911 250 Q HN 0.586 nan 8.270 nan 0.000 0.438 251 G N 0.528 109.361 108.800 0.056 0.000 2.408 251 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 251 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 251 G C 1.368 176.335 174.900 0.111 0.000 1.150 251 G CA 0.462 45.616 45.100 0.089 0.000 0.776 251 G HN 0.236 nan 8.290 nan 0.000 0.542 252 I N 0.120 120.737 120.570 0.078 0.000 2.252 252 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 252 I C 2.995 179.141 176.117 0.049 0.000 1.102 252 I CA 1.062 62.397 61.300 0.057 0.000 1.385 252 I CB -0.180 37.796 38.000 -0.041 0.000 1.064 252 I HN 0.212 nan 8.210 nan 0.000 0.414 253 Q N 0.403 120.217 119.800 0.024 0.000 2.119 253 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 253 Q C 2.358 178.390 176.000 0.054 0.000 0.972 253 Q CA 1.295 57.105 55.803 0.012 0.000 0.847 253 Q CB -0.070 28.663 28.738 -0.008 0.000 0.903 253 Q HN 0.518 nan 8.270 nan 0.000 0.433 254 L N -0.069 121.211 121.223 0.094 0.000 2.131 254 L HA -0.144 4.195 4.340 -0.000 0.000 0.210 254 L C 2.368 179.394 176.870 0.259 0.000 1.092 254 L CA 0.840 55.775 54.840 0.158 0.000 0.759 254 L CB -0.513 41.645 42.059 0.166 0.000 0.903 254 L HN 0.212 nan 8.230 nan 0.000 0.435 255 A N -0.772 122.196 122.820 0.247 0.000 2.066 255 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 255 A C 2.018 179.825 177.584 0.372 0.000 1.157 255 A CA 1.033 53.272 52.037 0.335 0.000 0.670 255 A CB -0.221 19.011 19.000 0.386 0.000 0.804 255 A HN 0.488 nan 8.150 nan 0.000 0.453 256 Q N 0.012 119.945 119.800 0.222 0.000 2.280 256 Q HA 0.198 4.538 4.340 -0.000 0.000 0.201 256 Q C -0.122 175.904 176.000 0.043 0.000 0.890 256 Q CA -0.329 55.548 55.803 0.124 0.000 0.947 256 Q CB 0.426 29.155 28.738 -0.016 0.000 1.081 256 Q HN 0.476 nan 8.270 nan 0.000 0.502 257 S N 0.942 116.655 115.700 0.023 0.000 2.579 257 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 257 S C 0.097 174.526 174.600 -0.286 0.000 1.345 257 S CA -0.152 57.904 58.200 -0.240 0.000 1.031 257 S CB 0.565 63.466 63.200 -0.497 0.000 0.892 257 S HN 0.234 nan 8.310 nan 0.000 0.529 258 R N 1.648 121.948 120.500 -0.332 0.000 2.204 258 R HA 0.227 4.567 4.340 -0.000 0.000 0.341 258 R C -0.303 175.841 176.300 -0.259 0.000 1.035 258 R CA -0.112 55.906 56.100 -0.137 0.000 0.887 258 R CB 0.338 30.539 30.300 -0.165 0.000 1.114 258 R HN 0.691 nan 8.270 nan 0.000 0.473 259 Y N 0.646 120.951 120.300 0.008 0.000 2.436 259 Y HA 0.095 4.645 4.550 -0.000 0.000 0.288 259 Y C 0.205 175.809 175.900 -0.492 0.000 1.112 259 Y CA 0.451 58.398 58.100 -0.254 0.000 1.220 259 Y CB 0.473 38.785 38.460 -0.246 0.000 1.073 259 Y HN 0.450 nan 8.280 nan 0.000 0.552 260 W N -0.332 121.129 121.300 0.269 0.000 3.107 260 W HA 0.553 5.214 4.660 0.000 0.000 0.331 260 W C -0.863 175.753 176.519 0.162 0.000 1.204 260 W CA -1.011 56.447 57.345 0.188 0.000 1.184 260 W CB 1.149 30.702 29.460 0.155 0.000 1.421 260 W HN -0.455 nan 8.180 nan 0.000 0.544 261 Q N 1.302 121.294 119.800 0.320 0.000 2.356 261 Q HA 0.660 5.000 4.340 -0.000 0.000 0.270 261 Q C -1.224 174.787 176.000 0.019 0.000 1.058 261 Q CA -0.502 55.316 55.803 0.025 0.000 0.802 261 Q CB 2.436 31.114 28.738 -0.099 0.000 1.303 261 Q HN 0.449 nan 8.270 nan 0.000 0.444 262 T N 2.374 116.884 114.554 -0.074 0.000 3.031 262 T HA 0.613 4.963 4.350 -0.000 0.000 0.305 262 T C 0.277 174.917 174.700 -0.100 0.000 0.985 262 T CA 0.720 62.789 62.100 -0.052 0.000 1.008 262 T CB 0.654 69.513 68.868 -0.016 0.000 1.005 262 T HN 1.089 nan 8.240 nan 0.000 0.444 263 G N 5.366 114.109 108.800 -0.095 0.000 2.556 263 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.283 263 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.283 263 G C 0.210 175.021 174.900 -0.148 0.000 1.177 263 G CA 0.716 45.758 45.100 -0.096 0.000 0.978 263 G HN 1.091 nan 8.290 nan 0.000 0.554 264 D N -0.022 120.300 120.400 -0.130 0.000 2.388 264 D HA 0.328 4.968 4.640 -0.000 0.000 0.221 264 D C 1.022 177.222 176.300 -0.166 0.000 1.133 264 D CA 0.191 54.108 54.000 -0.138 0.000 0.831 264 D CB 0.116 40.876 40.800 -0.068 0.000 0.962 264 D HN 0.563 nan 8.370 nan 0.000 0.502 265 M N 0.862 120.336 119.600 -0.209 0.000 2.472 265 M HA 0.416 4.896 4.480 -0.000 0.000 0.331 265 M C -1.774 174.378 176.300 -0.247 0.000 1.170 265 M CA -0.590 54.657 55.300 -0.087 0.000 1.009 265 M CB 1.732 34.360 32.600 0.048 0.000 1.672 265 M HN -0.164 nan 8.290 nan 0.000 0.453 266 Y N 1.762 122.169 120.300 0.178 0.000 2.376 266 Y HA 0.384 4.934 4.550 -0.000 0.000 0.340 266 Y C -0.305 175.752 175.900 0.261 0.000 0.965 266 Y CA -0.737 57.481 58.100 0.197 0.000 1.078 266 Y CB 1.538 40.081 38.460 0.139 0.000 1.193 266 Y HN 0.571 nan 8.280 nan 0.000 0.452 267 Q N 2.050 122.118 119.800 0.446 0.000 2.294 267 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 267 Q C 0.011 176.295 176.000 0.474 0.000 0.955 267 Q CA -0.134 55.933 55.803 0.441 0.000 0.936 267 Q CB 1.043 30.052 28.738 0.452 0.000 1.188 267 Q HN 0.908 nan 8.270 nan 0.000 0.420 268 G N 2.810 111.863 108.800 0.422 0.000 2.736 268 G HA2 0.493 4.452 3.960 -0.000 0.000 0.229 268 G HA3 0.493 4.452 3.960 -0.000 0.000 0.229 268 G C -0.935 174.132 174.900 0.279 0.000 1.380 268 G CA -0.832 44.545 45.100 0.462 0.000 1.040 268 G HN 0.590 nan 8.290 nan 0.000 0.568 269 L N 1.211 122.572 121.223 0.229 0.000 2.270 269 L HA 0.443 4.782 4.340 -0.000 0.000 0.286 269 L C 1.393 178.308 176.870 0.075 0.000 1.059 269 L CA 0.496 55.340 54.840 0.008 0.000 0.839 269 L CB 0.450 42.512 42.059 0.005 0.000 1.221 269 L HN 1.051 nan 8.230 nan 0.000 0.431 270 G N 2.285 111.097 108.800 0.020 0.000 4.039 270 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 270 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 270 G C 0.008 174.937 174.900 0.048 0.000 1.391 270 G CA -0.207 44.898 45.100 0.009 0.000 0.920 270 G HN 0.516 nan 8.290 nan 0.000 0.599 271 W N 2.351 123.776 121.300 0.210 0.000 2.158 271 W HA 0.571 5.231 4.660 -0.000 0.000 0.339 271 W C 0.855 177.516 176.519 0.236 0.000 1.294 271 W CA -0.086 57.380 57.345 0.201 0.000 1.231 271 W CB 0.412 29.962 29.460 0.149 0.000 1.143 271 W HN 0.344 nan 8.180 nan 0.000 0.571 272 E N 1.531 122.077 120.200 0.577 0.000 2.256 272 E HA 0.581 4.931 4.350 -0.000 0.000 0.267 272 E C -0.869 176.041 176.600 0.517 0.000 0.892 272 E CA -1.128 55.578 56.400 0.509 0.000 0.775 272 E CB 1.753 31.741 29.700 0.479 0.000 1.207 272 E HN 0.177 nan 8.360 nan 0.000 0.420 273 M N 1.849 121.700 119.600 0.419 0.000 2.531 273 M HA 0.473 4.953 4.480 -0.000 0.000 0.286 273 M C -1.625 174.902 176.300 0.379 0.000 1.232 273 M CA -0.399 55.086 55.300 0.309 0.000 0.877 273 M CB 1.737 34.443 32.600 0.177 0.000 1.726 273 M HN 0.275 nan 8.290 nan 0.000 0.463 274 L N 0.405 121.812 121.223 0.307 0.000 2.393 274 L HA 0.583 4.923 4.340 -0.000 0.000 0.260 274 L C -0.688 176.347 176.870 0.275 0.000 1.002 274 L CA -0.661 54.369 54.840 0.317 0.000 0.818 274 L CB 1.771 43.926 42.059 0.160 0.000 1.369 274 L HN 0.550 nan 8.230 nan 0.000 0.412 275 D N 0.626 121.179 120.400 0.255 0.000 2.399 275 D HA -0.003 4.637 4.640 -0.000 0.000 0.241 275 D C -0.945 175.491 176.300 0.226 0.000 1.133 275 D CA 0.202 54.313 54.000 0.184 0.000 0.890 275 D CB 1.111 41.990 40.800 0.133 0.000 1.201 275 D HN 0.360 nan 8.370 nan 0.000 0.432 276 W N 4.006 125.354 121.300 0.080 0.000 2.551 276 W HA 0.297 4.957 4.660 -0.000 0.000 0.330 276 W C -2.245 174.322 176.519 0.079 0.000 1.063 276 W CA -1.785 55.628 57.345 0.113 0.000 1.222 276 W CB 1.112 30.655 29.460 0.138 0.000 1.349 276 W HN 0.244 nan 8.180 nan 0.000 0.536 277 P HA 0.121 nan 4.420 nan 0.000 0.272 277 P C -1.038 175.891 177.300 -0.619 0.000 1.223 277 P CA -0.105 62.140 63.100 -1.425 0.000 0.784 277 P CB 2.127 33.242 31.700 -0.974 0.000 0.923 278 V N 1.929 121.489 119.914 -0.590 0.000 2.769 278 V HA 0.304 4.424 4.120 -0.000 0.000 0.312 278 V C -0.010 175.775 176.094 -0.515 0.000 1.058 278 V CA -1.034 61.050 62.300 -0.359 0.000 0.952 278 V CB 1.648 33.317 31.823 -0.257 0.000 1.019 278 V HN 0.680 nan 8.190 nan 0.000 0.445 279 N N 5.684 124.122 118.700 -0.437 0.000 2.411 279 N HA 0.291 5.031 4.740 -0.000 0.000 0.259 279 N C -1.933 173.181 175.510 -0.661 0.000 1.103 279 N CA -1.537 51.238 53.050 -0.459 0.000 0.954 279 N CB 1.775 40.084 38.487 -0.297 0.000 1.085 279 N HN 0.371 nan 8.380 nan 0.000 0.485 280 P HA -0.105 nan 4.420 nan 0.000 0.214 280 P C 0.599 177.505 177.300 -0.656 0.000 1.163 280 P CA 1.142 63.498 63.100 -1.240 0.000 0.883 280 P CB 0.342 31.111 31.700 -1.550 0.000 0.788 281 D N -1.034 119.096 120.400 -0.451 0.000 2.221 281 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 281 D C 2.061 178.218 176.300 -0.238 0.000 0.982 281 D CA 1.145 54.977 54.000 -0.279 0.000 0.857 281 D CB -0.452 40.226 40.800 -0.203 0.000 0.934 281 D HN 0.150 nan 8.370 nan 0.000 0.475 282 S N 0.432 115.968 115.700 -0.272 0.000 2.357 282 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 282 S C 2.182 176.677 174.600 -0.175 0.000 1.031 282 S CA 0.790 58.867 58.200 -0.204 0.000 0.982 282 S CB -0.126 62.952 63.200 -0.204 0.000 0.853 282 S HN 0.388 nan 8.310 nan 0.000 0.458 283 I N -0.827 119.596 120.570 -0.246 0.000 2.439 283 I HA 0.022 4.192 4.170 -0.000 0.000 0.251 283 I C 2.079 178.144 176.117 -0.085 0.000 1.139 283 I CA 1.077 62.297 61.300 -0.133 0.000 1.438 283 I CB -0.551 37.295 38.000 -0.256 0.000 1.085 283 I HN 0.234 nan 8.210 nan 0.000 0.427 284 I N 2.213 122.682 120.570 -0.169 0.000 2.163 284 I HA -0.246 3.923 4.170 -0.000 0.000 0.240 284 I C 2.290 178.349 176.117 -0.096 0.000 1.081 284 I CA 2.059 63.283 61.300 -0.126 0.000 1.353 284 I CB -0.679 37.230 38.000 -0.151 0.000 1.054 284 I HN 0.301 nan 8.210 nan 0.000 0.407 285 N N 0.516 119.154 118.700 -0.104 0.000 2.106 285 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 285 N C 1.923 177.394 175.510 -0.065 0.000 1.029 285 N CA 1.072 54.073 53.050 -0.081 0.000 0.848 285 N CB -0.313 38.123 38.487 -0.085 0.000 1.007 285 N HN 0.370 nan 8.380 nan 0.000 0.423 286 G N 0.319 109.083 108.800 -0.061 0.000 2.559 286 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 286 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 286 G C 1.473 176.355 174.900 -0.030 0.000 1.126 286 G CA 0.886 45.963 45.100 -0.038 0.000 0.778 286 G HN 0.409 nan 8.290 nan 0.000 0.543 287 S N -0.470 115.209 115.700 -0.034 0.000 2.528 287 S HA 0.036 4.506 4.470 -0.000 0.000 0.219 287 S C 0.732 175.282 174.600 -0.083 0.000 0.985 287 S CA -0.098 58.070 58.200 -0.052 0.000 0.914 287 S CB 0.080 63.247 63.200 -0.055 0.000 0.776 287 S HN 0.241 nan 8.310 nan 0.000 0.526 288 D N 2.247 122.605 120.400 -0.070 0.000 2.458 288 D HA 0.077 4.717 4.640 -0.000 0.000 0.243 288 D C 0.529 176.788 176.300 -0.069 0.000 1.146 288 D CA 0.062 54.023 54.000 -0.066 0.000 0.877 288 D CB 0.541 41.310 40.800 -0.052 0.000 1.176 288 D HN 0.056 nan 8.370 nan 0.000 0.461 289 N N 3.351 122.010 118.700 -0.068 0.000 2.192 289 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 289 N C 1.610 177.091 175.510 -0.047 0.000 1.013 289 N CA 1.064 54.073 53.050 -0.068 0.000 0.863 289 N CB -0.203 38.253 38.487 -0.051 0.000 0.990 289 N HN 0.659 nan 8.380 nan 0.000 0.430 290 K N 0.258 120.637 120.400 -0.035 0.000 2.281 290 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 290 K C 1.692 178.276 176.600 -0.026 0.000 1.046 290 K CA 1.106 57.380 56.287 -0.022 0.000 0.938 290 K CB -0.034 32.455 32.500 -0.019 0.000 0.737 290 K HN 0.203 nan 8.250 nan 0.000 0.458 291 I N 0.646 121.192 120.570 -0.039 0.000 2.899 291 I HA 0.026 4.196 4.170 -0.000 0.000 0.257 291 I C 2.491 178.577 176.117 -0.051 0.000 1.115 291 I CA 0.489 61.765 61.300 -0.040 0.000 1.451 291 I CB -0.082 37.892 38.000 -0.042 0.000 1.251 291 I HN 0.203 nan 8.210 nan 0.000 0.456 292 A N 1.029 123.802 122.820 -0.078 0.000 1.978 292 A HA -0.128 4.191 4.320 -0.000 0.000 0.220 292 A C 2.069 179.566 177.584 -0.145 0.000 1.170 292 A CA 1.503 53.462 52.037 -0.130 0.000 0.636 292 A CB -0.687 18.197 19.000 -0.193 0.000 0.810 292 A HN 0.442 nan 8.150 nan 0.000 0.448 293 L N -1.138 120.032 121.223 -0.088 0.000 2.607 293 L HA 0.280 4.620 4.340 -0.000 0.000 0.228 293 L C 1.090 177.977 176.870 0.029 0.000 1.123 293 L CA -0.102 54.728 54.840 -0.016 0.000 0.890 293 L CB -0.212 41.849 42.059 0.004 0.000 1.103 293 L HN 0.361 nan 8.230 nan 0.000 0.468 294 A N 0.663 123.488 122.820 0.007 0.000 2.302 294 A HA 0.698 5.018 4.320 -0.000 0.000 0.285 294 A C 0.413 178.000 177.584 0.005 0.000 1.105 294 A CA -0.248 51.801 52.037 0.021 0.000 0.816 294 A CB 0.546 19.547 19.000 0.002 0.000 1.067 294 A HN 0.182 nan 8.150 nan 0.000 0.489 295 A N 2.013 124.837 122.820 0.006 0.000 2.477 295 A HA 0.558 4.878 4.320 -0.000 0.000 0.246 295 A C 0.410 177.892 177.584 -0.169 0.000 1.078 295 A CA -0.005 51.962 52.037 -0.118 0.000 0.770 295 A CB 0.117 18.975 19.000 -0.236 0.000 1.011 295 A HN 0.749 nan 8.150 nan 0.000 0.494 296 R N 2.151 122.525 120.500 -0.209 0.000 2.673 296 R HA 0.453 4.793 4.340 -0.000 0.000 0.281 296 R C -3.118 173.048 176.300 -0.223 0.000 0.991 296 R CA -1.905 54.092 56.100 -0.172 0.000 0.896 296 R CB 2.276 32.520 30.300 -0.093 0.000 1.201 296 R HN 0.553 nan 8.270 nan 0.000 0.457 297 P HA 0.099 nan 4.420 nan 0.000 0.275 297 P C -0.255 176.984 177.300 -0.101 0.000 1.227 297 P CA -0.245 62.747 63.100 -0.181 0.000 0.781 297 P CB 1.003 32.622 31.700 -0.135 0.000 0.906 298 V N 0.179 120.041 119.914 -0.086 0.000 2.715 298 V HA 0.591 4.710 4.120 -0.000 0.000 0.310 298 V C -0.204 176.007 176.094 0.194 0.000 1.054 298 V CA -1.036 61.292 62.300 0.047 0.000 0.928 298 V CB 2.163 33.964 31.823 -0.038 0.000 1.007 298 V HN 0.309 nan 8.190 nan 0.000 0.437 299 K N 2.408 122.972 120.400 0.274 0.000 2.206 299 K HA 0.764 5.084 4.320 -0.000 0.000 0.264 299 K C -0.028 176.798 176.600 0.376 0.000 0.967 299 K CA -0.405 56.040 56.287 0.264 0.000 0.844 299 K CB 2.110 34.694 32.500 0.141 0.000 1.099 299 K HN 1.068 nan 8.250 nan 0.000 0.441 300 A N 3.649 126.652 122.820 0.304 0.000 2.462 300 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 300 A C -0.022 177.507 177.584 -0.093 0.000 1.076 300 A CA -0.146 51.842 52.037 -0.081 0.000 0.773 300 A CB -0.119 18.800 19.000 -0.135 0.000 1.010 300 A HN 0.732 nan 8.150 nan 0.000 0.493 301 I N 2.337 122.775 120.570 -0.221 0.000 2.337 301 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 301 I C -0.246 175.772 176.117 -0.165 0.000 1.041 301 I CA 0.140 61.371 61.300 -0.115 0.000 1.199 301 I CB 1.370 39.327 38.000 -0.072 0.000 1.370 301 I HN 0.543 nan 8.210 nan 0.000 0.470 302 T N 6.379 120.870 114.554 -0.105 0.000 2.821 302 T HA 0.434 4.784 4.350 -0.000 0.000 0.307 302 T C -1.700 172.962 174.700 -0.064 0.000 1.034 302 T CA -0.990 61.055 62.100 -0.091 0.000 0.953 302 T CB 0.679 69.512 68.868 -0.058 0.000 0.968 302 T HN 0.423 nan 8.240 nan 0.000 0.462 303 P HA 0.516 nan 4.420 nan 0.000 0.281 303 P C -3.039 174.174 177.300 -0.146 0.000 1.281 303 P CA -2.104 60.938 63.100 -0.098 0.000 0.811 303 P CB 0.024 31.681 31.700 -0.072 0.000 1.154 304 P HA 0.069 nan 4.420 nan 0.000 0.266 304 P C -0.311 176.827 177.300 -0.269 0.000 1.195 304 P CA 0.469 63.369 63.100 -0.334 0.000 0.768 304 P CB 0.002 31.343 31.700 -0.599 0.000 0.838 305 T N 5.374 119.773 114.554 -0.258 0.000 2.832 305 T HA 0.262 4.612 4.350 -0.000 0.000 0.296 305 T C -2.133 172.433 174.700 -0.224 0.000 0.968 305 T CA -1.050 60.926 62.100 -0.206 0.000 1.107 305 T CB 0.025 68.770 68.868 -0.206 0.000 0.916 305 T HN 0.260 nan 8.240 nan 0.000 0.517 306 P HA 0.222 nan 4.420 nan 0.000 0.269 306 P C -0.566 176.654 177.300 -0.135 0.000 1.215 306 P CA -0.467 62.548 63.100 -0.141 0.000 0.780 306 P CB 0.320 31.960 31.700 -0.099 0.000 0.898 307 A N 2.461 125.215 122.820 -0.111 0.000 2.592 307 A HA 0.005 4.325 4.320 -0.000 0.000 0.250 307 A C 0.167 177.688 177.584 -0.105 0.000 1.017 307 A CA 0.391 52.368 52.037 -0.100 0.000 0.794 307 A CB -0.850 18.105 19.000 -0.075 0.000 0.917 307 A HN 0.368 nan 8.150 nan 0.000 0.515 308 V N 6.116 125.959 119.914 -0.119 0.000 2.406 308 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 308 V C 1.539 177.582 176.094 -0.085 0.000 1.043 308 V CA -0.353 61.884 62.300 -0.105 0.000 0.915 308 V CB 0.952 32.698 31.823 -0.128 0.000 0.988 308 V HN 1.060 nan 8.190 nan 0.000 0.466 309 R N 3.623 124.082 120.500 -0.068 0.000 2.091 309 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 309 R C 1.264 177.533 176.300 -0.052 0.000 1.136 309 R CA 1.493 57.553 56.100 -0.065 0.000 0.959 309 R CB -0.108 30.158 30.300 -0.057 0.000 0.856 309 R HN 0.731 nan 8.270 nan 0.000 0.437 310 A N 1.744 124.562 122.820 -0.003 0.000 3.037 310 A HA 0.279 4.598 4.320 -0.000 0.000 0.272 310 A C -0.596 177.066 177.584 0.131 0.000 1.723 310 A CA 0.042 52.129 52.037 0.083 0.000 1.413 310 A CB 0.107 19.191 19.000 0.140 0.000 1.112 310 A HN 0.082 nan 8.150 nan 0.000 0.606 311 S N 0.798 116.536 115.700 0.064 0.000 2.564 311 S HA 0.531 5.001 4.470 -0.000 0.000 0.274 311 S C -1.092 173.549 174.600 0.068 0.000 1.124 311 S CA -0.591 57.663 58.200 0.090 0.000 0.869 311 S CB 1.241 64.411 63.200 -0.051 0.000 1.105 311 S HN 0.703 nan 8.310 nan 0.000 0.472 312 W N 3.881 125.185 121.300 0.006 0.000 2.308 312 W HA 0.582 5.242 4.660 -0.000 0.000 0.311 312 W C -1.847 174.520 176.519 -0.254 0.000 1.088 312 W CA -0.520 56.782 57.345 -0.071 0.000 1.309 312 W CB 0.589 30.124 29.460 0.126 0.000 1.229 312 W HN 0.360 nan 8.180 nan 0.000 0.427 313 V N 7.578 127.050 119.914 -0.737 0.000 2.435 313 V HA 0.464 4.584 4.120 -0.000 0.000 0.290 313 V C -0.052 175.691 176.094 -0.585 0.000 1.030 313 V CA -0.341 61.520 62.300 -0.732 0.000 0.881 313 V CB 1.368 32.232 31.823 -1.598 0.000 0.983 313 V HN 0.687 nan 8.190 nan 0.000 0.445 314 H N 2.356 121.406 119.070 -0.033 0.000 2.932 314 H HA 0.887 5.443 4.556 -0.000 0.000 0.307 314 H C -1.337 174.262 175.328 0.452 0.000 1.391 314 H CA -1.292 54.852 56.048 0.160 0.000 1.130 314 H CB 2.122 32.028 29.762 0.239 0.000 1.836 314 H HN 0.441 nan 8.280 nan 0.000 0.522 315 K N 1.175 121.710 120.400 0.225 0.000 2.579 315 K HA 0.253 4.572 4.320 -0.000 0.000 0.257 315 K C -1.423 175.303 176.600 0.210 0.000 0.950 315 K CA -0.005 56.351 56.287 0.115 0.000 0.862 315 K CB 1.990 34.525 32.500 0.058 0.000 1.317 315 K HN 0.921 nan 8.250 nan 0.000 0.436 316 T N 0.013 114.691 114.554 0.207 0.000 2.918 316 T HA 0.882 5.232 4.350 -0.000 0.000 0.283 316 T C 0.326 175.127 174.700 0.167 0.000 1.001 316 T CA -0.457 61.800 62.100 0.261 0.000 1.041 316 T CB 1.655 70.575 68.868 0.086 0.000 1.028 316 T HN 0.667 nan 8.240 nan 0.000 0.511 317 G N -0.722 108.181 108.800 0.171 0.000 2.742 317 G HA2 0.741 4.701 3.960 -0.000 0.000 0.296 317 G HA3 0.741 4.701 3.960 -0.000 0.000 0.296 317 G C -1.590 173.404 174.900 0.158 0.000 1.436 317 G CA -0.523 44.679 45.100 0.170 0.000 0.928 317 G HN 1.159 nan 8.290 nan 0.000 0.520 318 A N 0.319 123.231 122.820 0.152 0.000 2.604 318 A HA 0.972 5.292 4.320 -0.000 0.000 0.295 318 A C -0.054 177.623 177.584 0.154 0.000 1.067 318 A CA 0.162 52.298 52.037 0.165 0.000 0.683 318 A CB 1.518 20.581 19.000 0.104 0.000 1.281 318 A HN 1.955 nan 8.150 nan 0.000 0.407 319 T N -1.923 112.763 114.554 0.220 0.000 2.724 319 T HA 0.652 5.002 4.350 -0.000 0.000 0.274 319 T C 1.330 176.149 174.700 0.199 0.000 0.984 319 T CA 0.173 62.383 62.100 0.184 0.000 1.024 319 T CB 0.996 70.024 68.868 0.266 0.000 1.320 319 T HN 1.592 nan 8.240 nan 0.000 0.555 320 G N -0.332 108.571 108.800 0.172 0.000 2.422 320 G HA2 0.160 4.120 3.960 -0.000 0.000 0.218 320 G HA3 0.160 4.120 3.960 -0.000 0.000 0.218 320 G C 1.189 176.190 174.900 0.169 0.000 1.146 320 G CA 0.567 45.752 45.100 0.142 0.000 0.769 320 G HN 1.127 nan 8.290 nan 0.000 0.547 321 G N -1.200 107.750 108.800 0.249 0.000 3.277 321 G HA2 0.475 4.434 3.960 -0.000 0.000 0.243 321 G HA3 0.475 4.434 3.960 -0.000 0.000 0.243 321 G C -0.419 174.453 174.900 -0.046 0.000 1.107 321 G CA -0.457 44.696 45.100 0.088 0.000 0.771 321 G HN 0.195 nan 8.290 nan 0.000 0.544 322 F N -0.676 119.412 119.950 0.229 0.000 2.599 322 F HA 0.700 5.227 4.527 -0.000 0.000 0.311 322 F C 0.289 176.235 175.800 0.243 0.000 1.076 322 F CA -1.169 57.004 58.000 0.288 0.000 0.937 322 F CB 2.373 41.568 39.000 0.325 0.000 1.282 322 F HN 0.007 nan 8.300 nan 0.000 0.460 323 G N 0.668 109.758 108.800 0.484 0.000 2.723 323 G HA2 0.574 4.534 3.960 -0.000 0.000 0.295 323 G HA3 0.574 4.534 3.960 -0.000 0.000 0.295 323 G C -1.518 173.564 174.900 0.303 0.000 1.464 323 G CA -0.711 44.557 45.100 0.279 0.000 1.012 323 G HN 0.775 nan 8.290 nan 0.000 0.522 324 S N 0.899 116.740 115.700 0.235 0.000 2.632 324 S HA 0.868 5.338 4.470 -0.000 0.000 0.289 324 S C -1.522 173.267 174.600 0.316 0.000 1.115 324 S CA -0.985 57.374 58.200 0.265 0.000 0.889 324 S CB 2.507 65.857 63.200 0.250 0.000 1.116 324 S HN 1.181 nan 8.310 nan 0.000 0.486 325 Y N -0.156 120.248 120.300 0.174 0.000 2.521 325 Y HA 0.640 5.190 4.550 -0.000 0.000 0.332 325 Y C -2.039 174.012 175.900 0.251 0.000 1.121 325 Y CA -0.863 57.355 58.100 0.197 0.000 1.037 325 Y CB 1.594 40.169 38.460 0.191 0.000 1.330 325 Y HN 0.802 nan 8.280 nan 0.000 0.452 326 V N 3.934 123.640 119.914 -0.346 0.000 2.808 326 V HA 0.970 5.090 4.120 -0.000 0.000 0.308 326 V C -1.017 174.824 176.094 -0.423 0.000 1.099 326 V CA -0.271 61.930 62.300 -0.165 0.000 0.920 326 V CB 1.580 33.566 31.823 0.273 0.000 1.014 326 V HN 1.055 nan 8.190 nan 0.000 0.425 327 A N 4.558 127.176 122.820 -0.338 0.000 2.547 327 A HA 1.024 5.344 4.320 -0.000 0.000 0.297 327 A C -1.321 176.000 177.584 -0.438 0.000 1.056 327 A CA -0.510 51.213 52.037 -0.523 0.000 0.688 327 A CB 1.739 20.338 19.000 -0.669 0.000 1.282 327 A HN 1.491 nan 8.150 nan 0.000 0.400 328 F N -0.537 118.959 119.950 -0.756 0.000 2.686 328 F HA 0.843 5.369 4.527 -0.000 0.000 0.311 328 F C -1.280 174.138 175.800 -0.637 0.000 1.128 328 F CA -1.245 56.378 58.000 -0.630 0.000 0.946 328 F CB 1.439 40.138 39.000 -0.502 0.000 1.336 328 F HN 0.325 nan 8.300 nan 0.000 0.457 329 I N 1.920 122.273 120.570 -0.361 0.000 2.495 329 I HA 0.297 4.467 4.170 -0.000 0.000 0.277 329 I C -2.240 173.740 176.117 -0.229 0.000 1.045 329 I CA -1.880 59.171 61.300 -0.415 0.000 1.135 329 I CB 1.700 39.308 38.000 -0.654 0.000 1.241 329 I HN 0.366 nan 8.210 nan 0.000 0.469 330 P HA -0.224 nan 4.420 nan 0.000 0.216 330 P C 1.419 178.640 177.300 -0.132 0.000 1.153 330 P CA 1.302 64.352 63.100 -0.084 0.000 0.858 330 P CB 0.331 31.994 31.700 -0.062 0.000 0.789 331 E N -0.328 119.785 120.200 -0.146 0.000 2.204 331 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 331 E C 1.137 177.644 176.600 -0.154 0.000 0.990 331 E CA 0.957 57.282 56.400 -0.124 0.000 0.821 331 E CB -0.047 29.602 29.700 -0.085 0.000 0.750 331 E HN 0.081 nan 8.360 nan 0.000 0.477 332 K N 0.342 120.607 120.400 -0.226 0.000 2.358 332 K HA 0.026 4.346 4.320 -0.000 0.000 0.197 332 K C -0.168 176.293 176.600 -0.230 0.000 1.025 332 K CA 0.144 56.290 56.287 -0.235 0.000 1.104 332 K CB 0.749 33.060 32.500 -0.315 0.000 0.855 332 K HN 0.061 nan 8.250 nan 0.000 0.531 333 E N 0.509 120.589 120.200 -0.201 0.000 2.360 333 E HA -0.238 4.112 4.350 -0.000 0.000 0.238 333 E C -0.469 176.011 176.600 -0.200 0.000 1.186 333 E CA 0.494 56.779 56.400 -0.192 0.000 0.719 333 E CB -1.971 27.616 29.700 -0.189 0.000 1.236 333 E HN 0.124 nan 8.360 nan 0.000 0.386 334 L N -0.519 120.588 121.223 -0.193 0.000 2.386 334 L HA 0.779 5.119 4.340 -0.000 0.000 0.271 334 L C 0.278 177.071 176.870 -0.129 0.000 0.993 334 L CA 0.204 54.953 54.840 -0.152 0.000 0.819 334 L CB 2.064 44.014 42.059 -0.183 0.000 1.294 334 L HN 0.123 nan 8.230 nan 0.000 0.414 335 G N 4.278 113.035 108.800 -0.071 0.000 2.692 335 G HA2 0.652 4.612 3.960 -0.000 0.000 0.291 335 G HA3 0.652 4.612 3.960 -0.000 0.000 0.291 335 G C -2.162 172.735 174.900 -0.006 0.000 1.423 335 G CA -0.472 44.591 45.100 -0.063 0.000 0.843 335 G HN 0.746 nan 8.290 nan 0.000 0.486 336 I N -0.034 120.539 120.570 0.004 0.000 2.752 336 I HA 0.633 4.803 4.170 -0.000 0.000 0.295 336 I C -1.367 174.810 176.117 0.100 0.000 1.219 336 I CA -0.998 60.350 61.300 0.079 0.000 1.030 336 I CB 2.349 40.422 38.000 0.122 0.000 1.259 336 I HN 0.352 nan 8.210 nan 0.000 0.423 337 V N 7.312 127.321 119.914 0.158 0.000 2.531 337 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 337 V C -0.498 175.727 176.094 0.219 0.000 1.034 337 V CA -0.425 61.986 62.300 0.186 0.000 0.865 337 V CB 1.792 33.736 31.823 0.201 0.000 0.995 337 V HN 0.634 nan 8.190 nan 0.000 0.424 338 M N 6.409 126.151 119.600 0.237 0.000 2.085 338 M HA 0.612 5.092 4.480 -0.000 0.000 0.309 338 M C -1.319 175.084 176.300 0.173 0.000 0.947 338 M CA -0.164 55.280 55.300 0.240 0.000 0.918 338 M CB 1.785 34.579 32.600 0.324 0.000 1.504 338 M HN 0.394 nan 8.290 nan 0.000 0.420 339 L N 2.984 124.206 121.223 -0.002 0.000 2.349 339 L HA 0.970 5.310 4.340 -0.000 0.000 0.278 339 L C -0.433 176.309 176.870 -0.214 0.000 0.996 339 L CA -0.720 53.963 54.840 -0.262 0.000 0.825 339 L CB 1.773 43.283 42.059 -0.916 0.000 1.243 339 L HN 0.777 nan 8.230 nan 0.000 0.412 340 A N 1.975 124.943 122.820 0.246 0.000 2.414 340 A HA 0.576 4.895 4.320 -0.000 0.000 0.306 340 A C -0.346 177.630 177.584 0.655 0.000 1.054 340 A CA -0.766 51.547 52.037 0.461 0.000 0.724 340 A CB 1.188 20.419 19.000 0.385 0.000 1.267 340 A HN 0.757 nan 8.150 nan 0.000 0.418 341 N N 1.608 120.630 118.700 0.537 0.000 2.802 341 N HA 0.156 4.896 4.740 -0.000 0.000 0.288 341 N C -0.442 175.036 175.510 -0.054 0.000 1.268 341 N CA -0.026 53.003 53.050 -0.034 0.000 1.035 341 N CB 0.144 38.585 38.487 -0.076 0.000 1.353 341 N HN 0.597 nan 8.380 nan 0.000 0.522 342 K N 0.268 120.747 120.400 0.131 0.000 2.561 342 K HA 0.158 4.477 4.320 -0.000 0.000 0.254 342 K C -1.710 175.074 176.600 0.306 0.000 0.942 342 K CA -0.641 55.749 56.287 0.171 0.000 0.818 342 K CB 1.199 33.793 32.500 0.157 0.000 1.306 342 K HN 0.015 nan 8.250 nan 0.000 0.435 343 N N 4.239 123.085 118.700 0.244 0.000 2.402 343 N HA 0.085 4.825 4.740 -0.000 0.000 0.252 343 N C -1.345 174.315 175.510 0.250 0.000 1.118 343 N CA 0.124 53.314 53.050 0.234 0.000 0.945 343 N CB -0.012 38.571 38.487 0.161 0.000 1.147 343 N HN 0.433 nan 8.380 nan 0.000 0.495 344 Y N 1.829 122.178 120.300 0.081 0.000 2.528 344 Y HA 0.727 5.277 4.550 -0.000 0.000 0.335 344 Y C -2.551 173.372 175.900 0.038 0.000 1.093 344 Y CA -3.458 54.671 58.100 0.049 0.000 1.134 344 Y CB -0.678 37.805 38.460 0.038 0.000 1.253 344 Y HN 0.314 nan 8.280 nan 0.000 0.478 345 P HA -0.036 nan 4.420 nan 0.000 0.261 345 P C 0.244 177.429 177.300 -0.192 0.000 1.165 345 P CA 0.465 63.525 63.100 -0.066 0.000 0.759 345 P CB 0.716 32.421 31.700 0.009 0.000 0.772 346 N N 4.665 123.259 118.700 -0.178 0.000 2.061 346 N HA -0.146 4.594 4.740 -0.000 0.000 0.193 346 N C -0.849 174.548 175.510 -0.189 0.000 1.030 346 N CA 1.904 54.828 53.050 -0.210 0.000 0.856 346 N CB -1.900 36.496 38.487 -0.152 0.000 1.023 346 N HN 0.450 nan 8.380 nan 0.000 0.424 347 P HA -0.091 nan 4.420 nan 0.000 0.216 347 P C 1.064 178.334 177.300 -0.049 0.000 1.150 347 P CA 1.632 64.682 63.100 -0.083 0.000 0.843 347 P CB -0.078 31.589 31.700 -0.054 0.000 0.787 348 A N -0.219 122.596 122.820 -0.008 0.000 1.930 348 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 348 A C 2.194 179.846 177.584 0.113 0.000 1.175 348 A CA 1.361 53.452 52.037 0.089 0.000 0.627 348 A CB -0.879 18.254 19.000 0.221 0.000 0.815 348 A HN 0.116 nan 8.150 nan 0.000 0.443 349 R N -0.600 119.897 120.500 -0.005 0.000 2.062 349 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 349 R C 2.016 178.232 176.300 -0.140 0.000 1.136 349 R CA 1.486 57.565 56.100 -0.036 0.000 0.948 349 R CB -0.802 29.338 30.300 -0.267 0.000 0.845 349 R HN 0.349 nan 8.270 nan 0.000 0.430 350 V N 1.968 121.680 119.914 -0.336 0.000 2.343 350 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 350 V C 2.010 178.163 176.094 0.098 0.000 1.051 350 V CA 2.242 64.397 62.300 -0.242 0.000 1.036 350 V CB -0.669 31.042 31.823 -0.187 0.000 0.654 350 V HN 0.370 nan 8.190 nan 0.000 0.451 351 D N 0.465 120.905 120.400 0.066 0.000 2.097 351 D HA -0.171 4.468 4.640 -0.000 0.000 0.195 351 D C 2.094 178.534 176.300 0.233 0.000 0.989 351 D CA 1.631 55.718 54.000 0.146 0.000 0.827 351 D CB -0.173 40.675 40.800 0.080 0.000 0.966 351 D HN 0.370 nan 8.370 nan 0.000 0.456 352 A N 0.492 123.420 122.820 0.179 0.000 1.877 352 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 352 A C 2.425 180.153 177.584 0.240 0.000 1.186 352 A CA 2.179 54.319 52.037 0.171 0.000 0.620 352 A CB -1.219 17.862 19.000 0.134 0.000 0.822 352 A HN 0.362 nan 8.150 nan 0.000 0.443 353 A N -1.018 122.009 122.820 0.345 0.000 1.902 353 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 353 A C 2.120 180.031 177.584 0.545 0.000 1.181 353 A CA 1.482 53.809 52.037 0.483 0.000 0.623 353 A CB -0.959 18.521 19.000 0.801 0.000 0.818 353 A HN 0.918 nan 8.150 nan 0.000 0.443 354 W N 0.542 122.080 121.300 0.397 0.000 2.358 354 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 354 W C 1.735 178.398 176.519 0.240 0.000 1.208 354 W CA 1.912 59.453 57.345 0.326 0.000 1.274 354 W CB -0.315 29.181 29.460 0.059 0.000 1.138 354 W HN 0.371 nan 8.180 nan 0.000 0.515 355 Q N 0.902 120.727 119.800 0.042 0.000 2.096 355 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 355 Q C 2.305 178.241 176.000 -0.108 0.000 0.982 355 Q CA 2.133 57.886 55.803 -0.084 0.000 0.850 355 Q CB -0.869 27.908 28.738 0.065 0.000 0.901 355 Q HN 0.491 nan 8.270 nan 0.000 0.422 356 I N 0.237 120.808 120.570 0.001 0.000 2.133 356 I HA -0.268 3.901 4.170 -0.000 0.000 0.238 356 I C 2.309 178.420 176.117 -0.010 0.000 1.074 356 I CA 0.903 62.207 61.300 0.005 0.000 1.342 356 I CB -0.337 37.695 38.000 0.052 0.000 1.053 356 I HN 0.113 nan 8.210 nan 0.000 0.404 357 L N 0.401 121.650 121.223 0.043 0.000 2.131 357 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 357 L C 2.258 179.092 176.870 -0.060 0.000 1.092 357 L CA 1.348 56.209 54.840 0.034 0.000 0.759 357 L CB -0.809 41.325 42.059 0.125 0.000 0.903 357 L HN 0.354 nan 8.230 nan 0.000 0.435 358 N N 0.520 119.047 118.700 -0.287 0.000 2.188 358 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 358 N C 1.769 177.179 175.510 -0.167 0.000 1.018 358 N CA 1.329 54.138 53.050 -0.402 0.000 0.858 358 N CB 0.019 37.829 38.487 -1.128 0.000 0.989 358 N HN 0.266 nan 8.380 nan 0.000 0.426 359 A N -0.128 122.606 122.820 -0.143 0.000 2.015 359 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 359 A C 2.022 179.602 177.584 -0.006 0.000 1.163 359 A CA 0.849 52.850 52.037 -0.061 0.000 0.646 359 A CB -0.385 18.581 19.000 -0.056 0.000 0.806 359 A HN 0.365 nan 8.150 nan 0.000 0.448 360 L N -1.460 119.774 121.223 0.018 0.000 2.463 360 L HA 0.125 4.465 4.340 -0.000 0.000 0.219 360 L C 2.120 179.062 176.870 0.120 0.000 1.088 360 L CA 0.297 55.200 54.840 0.105 0.000 0.849 360 L CB -0.889 41.266 42.059 0.160 0.000 1.012 360 L HN 0.575 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.834 119.800 0.057 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.831 55.803 0.046 0.000 1.022 361 Q CB 0.000 28.821 28.738 0.138 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481