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 1ejy_1_I DATA FIRST_RESID 72 DATA SEQUENCE GTVNWSVEDI VKGINSNNLE SQLQATQAAR KLLSREKQPP IDNIIRAGLI DATA SEQUENCE PKFVSFLGKT DCSPIQFESA WALTNIASGT SEQTKAVVDG GAIPAFISLL DATA SEQUENCE ASPHAHISEQ AVWALGNIAG DGSAFRDLVI KHGAIDPLLA LLAVPDLSTL DATA SEQUENCE ACGYLRNLTW TLSNLCRNKN PAPPLDAVEQ ILPTLVRLLH HNDPEVLADS DATA SEQUENCE CWAISYLTDG PNERIEMVVK KGVVPQLVKL LGATELPIVT PALRAIGNIV DATA SEQUENCE TGTDEQTQKV IDAGALAVFP SLLTNPKTNI QKEATWTMSN ITAGRQDQIQ DATA SEQUENCE QVVNHGLVPF LVGVLSKADF KTQKEAAWAI TNYTSGGTVE QIVYLVHCGI DATA SEQUENCE IEPLMNLLSA KDTKIIQVIL DAISNIFQAA EKLGETEKLS IMIEECGGLD DATA SEQUENCE KIEALQRHEN ESVYKASLNL IEKYFS 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 72 G HA2 0.000 nan 3.960 nan 0.000 0.244 72 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 72 G C 0.000 175.102 174.900 0.336 0.000 0.946 72 G CA 0.000 45.197 45.100 0.163 0.000 0.502 73 T N 0.277 114.954 114.554 0.205 0.000 3.308 73 T HA 0.604 4.954 4.350 0.000 0.000 0.270 73 T C -0.388 174.323 174.700 0.018 0.000 0.992 73 T CA -0.246 61.894 62.100 0.068 0.000 0.931 73 T CB 0.644 69.361 68.868 -0.252 0.000 1.142 73 T HN 0.422 nan 8.240 nan 0.000 0.525 74 V N 2.236 122.270 119.914 0.199 0.000 2.417 74 V HA 0.474 4.594 4.120 0.000 0.000 0.291 74 V C 0.355 176.573 176.094 0.206 0.000 1.024 74 V CA -1.033 61.342 62.300 0.124 0.000 0.861 74 V CB 0.820 32.685 31.823 0.069 0.000 0.985 74 V HN 0.674 nan 8.190 nan 0.000 0.436 75 N N 1.093 119.883 118.700 0.150 0.000 2.850 75 N HA -0.160 4.580 4.740 0.000 0.000 0.249 75 N C -0.299 175.346 175.510 0.224 0.000 1.060 75 N CA 0.628 53.764 53.050 0.142 0.000 0.825 75 N CB -0.730 37.810 38.487 0.089 0.000 1.132 75 N HN 0.697 nan 8.380 nan 0.000 0.564 76 W N 2.601 123.888 121.300 -0.021 0.000 2.187 76 W HA 0.117 4.777 4.660 0.000 0.000 0.348 76 W C 1.443 177.957 176.519 -0.009 0.000 1.282 76 W CA 0.078 57.415 57.345 -0.013 0.000 1.271 76 W CB 0.133 29.587 29.460 -0.011 0.000 1.170 76 W HN 0.104 nan 8.180 nan 0.000 0.583 77 S N 0.426 116.240 115.700 0.190 0.000 2.586 77 S HA 0.272 4.742 4.470 0.000 0.000 0.274 77 S C 0.555 175.243 174.600 0.147 0.000 1.281 77 S CA -0.871 57.397 58.200 0.114 0.000 1.035 77 S CB 1.465 64.690 63.200 0.041 0.000 0.962 77 S HN 0.312 nan 8.310 nan 0.000 0.512 78 V N 1.908 121.883 119.914 0.103 0.000 2.453 78 V HA -0.204 3.917 4.120 0.000 0.000 0.252 78 V C 2.714 178.862 176.094 0.091 0.000 1.068 78 V CA 2.398 64.754 62.300 0.094 0.000 1.070 78 V CB -1.258 30.599 31.823 0.055 0.000 0.664 78 V HN 1.066 nan 8.190 nan 0.000 0.461 79 E N 0.089 120.329 120.200 0.068 0.000 2.038 79 E HA -0.271 4.079 4.350 0.000 0.000 0.195 79 E C 1.923 178.567 176.600 0.072 0.000 1.000 79 E CA 1.771 58.200 56.400 0.048 0.000 0.803 79 E CB -0.088 29.625 29.700 0.021 0.000 0.750 79 E HN 0.641 nan 8.360 nan 0.000 0.448 80 D N 0.545 121.000 120.400 0.091 0.000 2.078 80 D HA -0.173 4.468 4.640 0.000 0.000 0.193 80 D C 2.181 178.682 176.300 0.334 0.000 0.990 80 D CA 1.079 55.147 54.000 0.114 0.000 0.827 80 D CB -0.413 40.362 40.800 -0.040 0.000 0.975 80 D HN 0.290 nan 8.370 nan 0.000 0.451 81 I N 1.005 121.844 120.570 0.449 0.000 2.229 81 I HA -0.291 3.879 4.170 0.000 0.000 0.250 81 I C 2.428 178.672 176.117 0.212 0.000 1.096 81 I CA 0.821 62.333 61.300 0.353 0.000 1.358 81 I CB -0.114 38.011 38.000 0.208 0.000 1.047 81 I HN -0.092 nan 8.210 nan 0.000 0.422 82 V N 0.108 120.108 119.914 0.143 0.000 2.270 82 V HA -0.243 3.877 4.120 0.000 0.000 0.245 82 V C 2.531 178.680 176.094 0.092 0.000 1.043 82 V CA 1.506 63.851 62.300 0.076 0.000 1.014 82 V CB -0.719 31.125 31.823 0.035 0.000 0.645 82 V HN 0.317 nan 8.190 nan 0.000 0.447 83 K N 0.911 121.373 120.400 0.102 0.000 2.059 83 K HA -0.215 4.105 4.320 0.000 0.000 0.212 83 K C 2.158 178.830 176.600 0.119 0.000 1.050 83 K CA 2.101 58.441 56.287 0.087 0.000 0.927 83 K CB -1.182 31.358 32.500 0.067 0.000 0.714 83 K HN 0.532 nan 8.250 nan 0.000 0.447 84 G N 0.683 109.602 108.800 0.199 0.000 2.404 84 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 84 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 84 G C 1.776 176.774 174.900 0.163 0.000 1.174 84 G CA 0.620 45.847 45.100 0.211 0.000 0.780 84 G HN 0.314 nan 8.290 nan 0.000 0.537 85 I N 0.762 121.437 120.570 0.174 0.000 2.567 85 I HA -0.150 4.021 4.170 0.000 0.000 0.257 85 I C 2.165 178.381 176.117 0.165 0.000 1.184 85 I CA 0.913 62.344 61.300 0.217 0.000 1.451 85 I CB -0.162 37.948 38.000 0.183 0.000 1.089 85 I HN 0.255 nan 8.210 nan 0.000 0.441 86 N N -0.131 118.629 118.700 0.100 0.000 2.373 86 N HA -0.016 4.724 4.740 0.000 0.000 0.181 86 N C 0.814 176.364 175.510 0.067 0.000 1.082 86 N CA -0.024 53.064 53.050 0.064 0.000 0.885 86 N CB 0.327 38.834 38.487 0.033 0.000 0.977 86 N HN 0.254 nan 8.380 nan 0.000 0.462 87 S N 0.324 116.071 115.700 0.079 0.000 2.587 87 S HA 0.071 4.541 4.470 0.000 0.000 0.260 87 S C 0.394 175.031 174.600 0.062 0.000 1.353 87 S CA -0.237 58.001 58.200 0.063 0.000 0.995 87 S CB 0.557 63.797 63.200 0.067 0.000 0.912 87 S HN 0.187 nan 8.310 nan 0.000 0.568 88 N N 0.824 119.551 118.700 0.046 0.000 2.320 88 N HA 0.113 4.853 4.740 0.000 0.000 0.237 88 N C -0.636 174.894 175.510 0.033 0.000 1.129 88 N CA -0.131 52.944 53.050 0.042 0.000 0.854 88 N CB 0.035 38.541 38.487 0.032 0.000 1.083 88 N HN 0.491 nan 8.380 nan 0.000 0.504 89 N N 1.991 120.710 118.700 0.033 0.000 2.476 89 N HA 0.081 4.821 4.740 0.000 0.000 0.257 89 N C 0.750 176.259 175.510 -0.002 0.000 0.970 89 N CA -0.335 52.726 53.050 0.018 0.000 0.938 89 N CB 1.651 40.153 38.487 0.024 0.000 1.144 89 N HN 0.072 nan 8.380 nan 0.000 0.500 90 L N 4.128 125.338 121.223 -0.021 0.000 2.021 90 L HA -0.155 4.185 4.340 0.000 0.000 0.215 90 L C 1.949 178.764 176.870 -0.092 0.000 1.074 90 L CA 1.941 56.738 54.840 -0.071 0.000 0.760 90 L CB -0.156 41.865 42.059 -0.062 0.000 0.889 90 L HN 0.577 nan 8.230 nan 0.000 0.433 91 E N -0.502 119.669 120.200 -0.049 0.000 2.051 91 E HA -0.165 4.185 4.350 0.000 0.000 0.192 91 E C 2.275 178.860 176.600 -0.024 0.000 0.991 91 E CA 1.443 57.819 56.400 -0.040 0.000 0.799 91 E CB -0.380 29.312 29.700 -0.013 0.000 0.748 91 E HN 0.556 nan 8.360 nan 0.000 0.449 92 S N 1.377 117.084 115.700 0.012 0.000 2.372 92 S HA -0.239 4.231 4.470 0.000 0.000 0.227 92 S C 1.977 176.599 174.600 0.037 0.000 1.044 92 S CA 1.473 59.710 58.200 0.061 0.000 1.050 92 S CB -0.267 62.979 63.200 0.076 0.000 0.901 92 S HN 0.331 nan 8.310 nan 0.000 0.447 93 Q N 0.088 119.880 119.800 -0.014 0.000 2.061 93 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 93 Q C 2.354 178.255 176.000 -0.165 0.000 0.984 93 Q CA 1.352 57.120 55.803 -0.058 0.000 0.846 93 Q CB -0.433 28.216 28.738 -0.150 0.000 0.902 93 Q HN 0.418 nan 8.270 nan 0.000 0.421 94 L N 0.985 122.077 121.223 -0.219 0.000 2.012 94 L HA -0.238 4.103 4.340 0.000 0.000 0.210 94 L C 2.191 178.954 176.870 -0.179 0.000 1.073 94 L CA 1.921 56.633 54.840 -0.214 0.000 0.748 94 L CB -0.557 41.403 42.059 -0.165 0.000 0.891 94 L HN 0.116 nan 8.230 nan 0.000 0.431 95 Q N -0.390 119.327 119.800 -0.138 0.000 2.061 95 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 95 Q C 2.266 177.994 176.000 -0.454 0.000 0.984 95 Q CA 2.384 58.078 55.803 -0.181 0.000 0.846 95 Q CB -0.475 28.260 28.738 -0.005 0.000 0.902 95 Q HN 0.708 nan 8.270 nan 0.000 0.421 96 A N -0.700 121.897 122.820 -0.373 0.000 1.933 96 A HA -0.170 4.150 4.320 0.000 0.000 0.218 96 A C 2.188 179.568 177.584 -0.339 0.000 1.175 96 A CA 1.853 53.585 52.037 -0.509 0.000 0.628 96 A CB -0.747 18.235 19.000 -0.031 0.000 0.814 96 A HN 0.394 nan 8.150 nan 0.000 0.444 97 T N -0.672 113.783 114.554 -0.165 0.000 2.857 97 T HA -0.137 4.213 4.350 0.000 0.000 0.266 97 T C 2.049 176.571 174.700 -0.298 0.000 1.048 97 T CA 1.440 63.483 62.100 -0.095 0.000 1.139 97 T CB -0.180 68.680 68.868 -0.014 0.000 0.874 97 T HN 0.646 nan 8.240 nan 0.000 0.455 98 Q N 0.570 120.168 119.800 -0.336 0.000 2.124 98 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 98 Q C 2.469 178.194 176.000 -0.458 0.000 0.977 98 Q CA 1.361 56.941 55.803 -0.371 0.000 0.850 98 Q CB -0.251 28.317 28.738 -0.285 0.000 0.901 98 Q HN 0.545 nan 8.270 nan 0.000 0.429 99 A N 0.687 123.146 122.820 -0.602 0.000 1.902 99 A HA -0.124 4.197 4.320 0.000 0.000 0.217 99 A C 2.260 179.597 177.584 -0.412 0.000 1.181 99 A CA 1.663 53.275 52.037 -0.709 0.000 0.623 99 A CB -0.935 17.143 19.000 -1.536 0.000 0.818 99 A HN 0.542 nan 8.150 nan 0.000 0.443 100 A N -0.342 122.288 122.820 -0.316 0.000 1.933 100 A HA -0.155 4.165 4.320 0.000 0.000 0.218 100 A C 2.262 179.683 177.584 -0.273 0.000 1.175 100 A CA 1.650 53.594 52.037 -0.155 0.000 0.628 100 A CB -0.532 18.506 19.000 0.063 0.000 0.814 100 A HN 0.560 nan 8.150 nan 0.000 0.444 101 R N 0.214 120.452 120.500 -0.437 0.000 2.083 101 R HA -0.183 4.158 4.340 0.000 0.000 0.237 101 R C 2.002 177.939 176.300 -0.605 0.000 1.137 101 R CA 2.009 57.728 56.100 -0.636 0.000 0.951 101 R CB -0.333 29.451 30.300 -0.861 0.000 0.851 101 R HN 0.533 nan 8.270 nan 0.000 0.434 102 K N 0.494 120.596 120.400 -0.498 0.000 2.063 102 K HA -0.141 4.179 4.320 0.000 0.000 0.208 102 K C 2.267 178.730 176.600 -0.228 0.000 1.048 102 K CA 1.438 57.505 56.287 -0.366 0.000 0.928 102 K CB -0.226 32.111 32.500 -0.273 0.000 0.713 102 K HN 0.232 nan 8.250 nan 0.000 0.442 103 L N 0.891 122.006 121.223 -0.179 0.000 2.012 103 L HA -0.213 4.127 4.340 0.000 0.000 0.210 103 L C 2.159 178.974 176.870 -0.091 0.000 1.073 103 L CA 1.308 56.092 54.840 -0.093 0.000 0.748 103 L CB -0.290 41.739 42.059 -0.049 0.000 0.891 103 L HN 0.210 nan 8.230 nan 0.000 0.431 104 L N -1.427 119.718 121.223 -0.131 0.000 2.551 104 L HA -0.081 4.259 4.340 0.000 0.000 0.228 104 L C 1.558 178.375 176.870 -0.090 0.000 1.153 104 L CA 0.239 55.019 54.840 -0.099 0.000 0.851 104 L CB -0.165 41.825 42.059 -0.115 0.000 0.959 104 L HN 0.069 nan 8.230 nan 0.000 0.451 105 S N -0.268 115.355 115.700 -0.129 0.000 2.573 105 S HA 0.164 4.634 4.470 0.000 0.000 0.244 105 S C 0.396 174.992 174.600 -0.006 0.000 0.984 105 S CA -0.499 57.672 58.200 -0.048 0.000 1.001 105 S CB -0.188 62.947 63.200 -0.108 0.000 0.788 105 S HN 0.394 nan 8.310 nan 0.000 0.456 106 R N 0.178 120.670 120.500 -0.012 0.000 2.732 106 R HA 0.537 4.878 4.340 0.000 0.000 0.278 106 R C -0.135 176.174 176.300 0.016 0.000 0.976 106 R CA -0.645 55.457 56.100 0.004 0.000 0.963 106 R CB 0.877 31.174 30.300 -0.004 0.000 1.150 106 R HN -0.081 nan 8.270 nan 0.000 0.478 107 E N 0.746 120.959 120.200 0.021 0.000 2.230 107 E HA -0.069 4.281 4.350 0.000 0.000 0.192 107 E C -0.003 176.608 176.600 0.018 0.000 0.987 107 E CA 0.598 57.012 56.400 0.023 0.000 0.841 107 E CB 0.176 29.891 29.700 0.025 0.000 0.783 107 E HN 0.465 nan 8.360 nan 0.000 0.481 108 K N 2.296 122.705 120.400 0.015 0.000 1.948 108 K HA -0.083 4.237 4.320 0.000 0.000 0.231 108 K C -0.829 175.779 176.600 0.013 0.000 1.136 108 K CA -0.059 56.236 56.287 0.014 0.000 1.185 108 K CB -0.348 32.159 32.500 0.012 0.000 1.090 108 K HN -0.026 nan 8.250 nan 0.000 0.302 109 Q N 2.253 122.062 119.800 0.015 0.000 2.313 109 Q HA -0.186 4.154 4.340 0.000 0.000 0.316 109 Q C -2.165 173.843 176.000 0.014 0.000 1.180 109 Q CA 0.366 56.178 55.803 0.015 0.000 1.040 109 Q CB -0.989 27.758 28.738 0.015 0.000 1.164 109 Q HN 0.482 nan 8.270 nan 0.000 0.294 110 P HA 0.004 nan 4.420 nan 0.000 0.267 110 P C -2.047 175.261 177.300 0.013 0.000 1.205 110 P CA -1.244 61.861 63.100 0.008 0.000 0.765 110 P CB 0.539 32.240 31.700 0.003 0.000 0.828 111 P HA -0.000 nan 4.420 nan 0.000 0.272 111 P C 1.257 178.572 177.300 0.026 0.000 1.542 111 P CA 0.202 63.314 63.100 0.020 0.000 0.846 111 P CB -0.566 31.148 31.700 0.023 0.000 1.782 112 I N 0.013 120.599 120.570 0.027 0.000 2.163 112 I HA -0.247 3.923 4.170 0.000 0.000 0.243 112 I C 1.957 178.095 176.117 0.035 0.000 1.085 112 I CA 1.548 62.870 61.300 0.036 0.000 1.347 112 I CB -0.477 37.546 38.000 0.037 0.000 1.044 112 I HN 0.040 nan 8.210 nan 0.000 0.408 113 D N 0.772 121.189 120.400 0.028 0.000 2.117 113 D HA -0.143 4.497 4.640 0.000 0.000 0.197 113 D C 1.935 178.246 176.300 0.017 0.000 0.987 113 D CA 1.064 55.077 54.000 0.022 0.000 0.829 113 D CB -0.445 40.367 40.800 0.019 0.000 0.961 113 D HN 0.399 nan 8.370 nan 0.000 0.460 114 N N 0.725 119.437 118.700 0.019 0.000 2.120 114 N HA -0.117 4.623 4.740 0.000 0.000 0.188 114 N C 1.937 177.455 175.510 0.013 0.000 1.024 114 N CA 0.664 53.723 53.050 0.015 0.000 0.852 114 N CB 0.054 38.552 38.487 0.020 0.000 1.003 114 N HN 0.202 nan 8.380 nan 0.000 0.424 115 I N 1.934 122.519 120.570 0.026 0.000 2.226 115 I HA -0.159 4.011 4.170 0.000 0.000 0.245 115 I C 2.387 178.503 176.117 -0.001 0.000 1.100 115 I CA 0.876 62.194 61.300 0.030 0.000 1.374 115 I CB -0.864 37.187 38.000 0.085 0.000 1.057 115 I HN 0.075 nan 8.210 nan 0.000 0.413 116 I N 0.249 120.827 120.570 0.012 0.000 2.286 116 I HA -0.267 3.904 4.170 0.000 0.000 0.248 116 I C 2.748 178.852 176.117 -0.022 0.000 1.115 116 I CA 1.096 62.394 61.300 -0.003 0.000 1.392 116 I CB -0.383 37.627 38.000 0.016 0.000 1.065 116 I HN 0.182 nan 8.210 nan 0.000 0.418 117 R N 0.645 121.137 120.500 -0.013 0.000 2.115 117 R HA -0.078 4.262 4.340 0.000 0.000 0.230 117 R C 2.325 178.607 176.300 -0.030 0.000 1.111 117 R CA 1.236 57.326 56.100 -0.017 0.000 0.976 117 R CB -0.247 30.050 30.300 -0.006 0.000 0.870 117 R HN 0.330 nan 8.270 nan 0.000 0.445 118 A N 0.122 122.920 122.820 -0.037 0.000 2.172 118 A HA 0.034 4.354 4.320 0.000 0.000 0.216 118 A C 1.290 178.823 177.584 -0.084 0.000 1.154 118 A CA 1.097 53.104 52.037 -0.051 0.000 0.701 118 A CB -0.375 18.596 19.000 -0.048 0.000 0.789 118 A HN 0.477 nan 8.150 nan 0.000 0.465 119 G N -1.296 107.446 108.800 -0.098 0.000 2.248 119 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 119 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 119 G C 0.446 175.218 174.900 -0.213 0.000 1.082 119 G CA 0.376 45.402 45.100 -0.124 0.000 0.863 119 G HN 0.475 nan 8.290 nan 0.000 0.495 120 L N -0.655 120.391 121.223 -0.294 0.000 2.477 120 L HA 0.286 4.626 4.340 0.000 0.000 0.220 120 L C 2.846 179.261 176.870 -0.759 0.000 1.106 120 L CA 0.068 54.550 54.840 -0.597 0.000 0.851 120 L CB -0.216 41.396 42.059 -0.744 0.000 0.994 120 L HN 0.409 nan 8.230 nan 0.000 0.462 121 I N 1.363 121.717 120.570 -0.360 0.000 2.163 121 I HA -0.196 3.974 4.170 0.000 0.000 0.243 121 I C -0.143 175.866 176.117 -0.180 0.000 1.085 121 I CA 1.508 62.711 61.300 -0.163 0.000 1.347 121 I CB -1.429 36.552 38.000 -0.032 0.000 1.044 121 I HN 0.228 nan 8.210 nan 0.000 0.408 122 P HA -0.167 nan 4.420 nan 0.000 0.220 122 P C 1.335 178.469 177.300 -0.277 0.000 1.148 122 P CA 1.385 64.374 63.100 -0.184 0.000 0.803 122 P CB -0.059 31.551 31.700 -0.150 0.000 0.782 123 K N -0.600 119.548 120.400 -0.421 0.000 2.007 123 K HA -0.029 4.291 4.320 0.000 0.000 0.206 123 K C 2.134 178.253 176.600 -0.802 0.000 1.047 123 K CA 1.054 56.956 56.287 -0.640 0.000 0.937 123 K CB -1.063 31.029 32.500 -0.680 0.000 0.718 123 K HN 0.105 nan 8.250 nan 0.000 0.438 124 F N 1.463 121.104 119.950 -0.514 0.000 2.046 124 F HA -0.179 4.348 4.527 0.000 0.000 0.297 124 F C 2.545 178.175 175.800 -0.284 0.000 1.123 124 F CA 0.565 58.357 58.000 -0.347 0.000 1.199 124 F CB -1.491 37.427 39.000 -0.138 0.000 0.972 124 F HN -0.265 nan 8.300 nan 0.000 0.474 125 V N -0.403 119.488 119.914 -0.038 0.000 2.370 125 V HA -0.356 3.764 4.120 0.000 0.000 0.252 125 V C 2.623 178.642 176.094 -0.125 0.000 1.068 125 V CA 2.151 64.380 62.300 -0.118 0.000 1.061 125 V CB -1.209 30.549 31.823 -0.109 0.000 0.656 125 V HN 0.489 nan 8.190 nan 0.000 0.455 126 S N -0.432 115.165 115.700 -0.172 0.000 2.368 126 S HA -0.146 4.324 4.470 0.000 0.000 0.224 126 S C 1.804 176.433 174.600 0.047 0.000 1.029 126 S CA 1.340 59.471 58.200 -0.115 0.000 0.988 126 S CB -0.377 62.706 63.200 -0.196 0.000 0.838 126 S HN 0.490 nan 8.310 nan 0.000 0.462 127 F N 2.030 121.988 119.950 0.014 0.000 2.408 127 F HA 0.135 4.662 4.527 0.000 0.000 0.300 127 F C 1.925 177.712 175.800 -0.022 0.000 1.090 127 F CA -0.152 57.856 58.000 0.014 0.000 1.427 127 F CB -0.992 38.039 39.000 0.052 0.000 1.070 127 F HN 0.231 nan 8.300 nan 0.000 0.549 128 L N -0.681 120.600 121.223 0.097 0.000 2.083 128 L HA -0.148 4.192 4.340 0.000 0.000 0.209 128 L C 2.613 179.491 176.870 0.013 0.000 1.083 128 L CA 1.497 56.323 54.840 -0.023 0.000 0.752 128 L CB -1.264 40.670 42.059 -0.208 0.000 0.899 128 L HN 0.217 nan 8.230 nan 0.000 0.433 129 G N -0.829 107.988 108.800 0.029 0.000 2.598 129 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 129 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 129 G C 0.933 175.868 174.900 0.058 0.000 1.131 129 G CA -0.131 44.990 45.100 0.035 0.000 0.785 129 G HN 0.052 nan 8.290 nan 0.000 0.539 130 K N 1.761 122.211 120.400 0.084 0.000 2.620 130 K HA 0.048 4.368 4.320 0.000 0.000 0.234 130 K C 1.538 178.171 176.600 0.054 0.000 1.194 130 K CA 0.056 56.384 56.287 0.069 0.000 1.186 130 K CB -0.739 31.796 32.500 0.059 0.000 1.270 130 K HN 0.067 nan 8.250 nan 0.000 0.235 131 T N 1.411 115.997 114.554 0.053 0.000 2.721 131 T HA -0.218 4.132 4.350 0.000 0.000 0.268 131 T C 1.078 175.814 174.700 0.060 0.000 1.038 131 T CA 2.252 64.387 62.100 0.058 0.000 1.145 131 T CB -0.123 68.772 68.868 0.046 0.000 0.858 131 T HN 0.632 nan 8.240 nan 0.000 0.459 132 D N -0.711 119.716 120.400 0.045 0.000 2.310 132 D HA -0.025 4.615 4.640 0.000 0.000 0.212 132 D C 0.893 177.212 176.300 0.032 0.000 0.965 132 D CA 0.311 54.334 54.000 0.038 0.000 0.879 132 D CB -0.261 40.555 40.800 0.026 0.000 0.921 132 D HN 0.365 nan 8.370 nan 0.000 0.510 133 C N 1.459 120.774 119.300 0.026 0.000 3.002 133 C HA 0.437 4.898 4.460 0.000 0.000 0.248 133 C C 1.917 176.916 174.990 0.014 0.000 1.153 133 C CA -0.144 58.877 59.018 0.004 0.000 1.502 133 C CB -1.085 26.635 27.740 -0.034 0.000 1.805 133 C HN 0.381 nan 8.230 nan 0.000 0.450 134 S N 3.859 119.576 115.700 0.028 0.000 2.374 134 S HA -0.123 4.347 4.470 0.000 0.000 0.227 134 S C -0.742 173.872 174.600 0.023 0.000 1.037 134 S CA 1.985 60.194 58.200 0.016 0.000 1.024 134 S CB -1.430 61.694 63.200 -0.127 0.000 0.861 134 S HN 0.625 nan 8.310 nan 0.000 0.456 135 P HA -0.052 nan 4.420 nan 0.000 0.216 135 P C 1.652 179.011 177.300 0.099 0.000 1.153 135 P CA 1.058 64.212 63.100 0.089 0.000 0.858 135 P CB -0.142 31.574 31.700 0.028 0.000 0.789 136 I N -1.206 119.361 120.570 -0.004 0.000 2.493 136 I HA -0.246 3.924 4.170 0.000 0.000 0.254 136 I C 2.185 178.315 176.117 0.021 0.000 1.160 136 I CA 1.294 62.551 61.300 -0.071 0.000 1.445 136 I CB -0.164 37.687 38.000 -0.249 0.000 1.086 136 I HN -0.042 nan 8.210 nan 0.000 0.433 137 Q N -0.226 119.615 119.800 0.067 0.000 2.016 137 Q HA -0.238 4.102 4.340 0.000 0.000 0.200 137 Q C 2.176 178.251 176.000 0.125 0.000 0.978 137 Q CA 1.980 57.838 55.803 0.091 0.000 0.833 137 Q CB -0.372 28.422 28.738 0.093 0.000 0.895 137 Q HN 0.494 nan 8.270 nan 0.000 0.427 138 F N 2.292 122.240 119.950 -0.003 0.000 2.046 138 F HA -0.244 4.283 4.527 0.000 0.000 0.297 138 F C 2.137 177.990 175.800 0.089 0.000 1.123 138 F CA 1.594 59.612 58.000 0.031 0.000 1.199 138 F CB -0.203 38.825 39.000 0.047 0.000 0.972 138 F HN -0.009 nan 8.300 nan 0.000 0.474 139 E N 0.429 120.579 120.200 -0.084 0.000 2.070 139 E HA -0.223 4.127 4.350 0.000 0.000 0.197 139 E C 2.496 178.904 176.600 -0.320 0.000 1.004 139 E CA 1.840 58.070 56.400 -0.282 0.000 0.805 139 E CB -0.959 28.628 29.700 -0.188 0.000 0.744 139 E HN 0.572 nan 8.360 nan 0.000 0.451 140 S N 0.671 116.252 115.700 -0.197 0.000 2.402 140 S HA 0.005 4.476 4.470 0.000 0.000 0.229 140 S C 2.230 176.727 174.600 -0.172 0.000 1.021 140 S CA 1.065 59.099 58.200 -0.277 0.000 0.974 140 S CB -0.142 63.079 63.200 0.035 0.000 0.800 140 S HN 0.263 nan 8.310 nan 0.000 0.484 141 A N 1.514 124.315 122.820 -0.032 0.000 1.877 141 A HA -0.063 4.257 4.320 0.000 0.000 0.216 141 A C 1.950 179.627 177.584 0.156 0.000 1.186 141 A CA 1.426 53.581 52.037 0.197 0.000 0.620 141 A CB -1.355 17.801 19.000 0.261 0.000 0.822 141 A HN 0.773 nan 8.150 nan 0.000 0.443 142 W N 0.814 121.916 121.300 -0.331 0.000 2.388 142 W HA -0.057 4.604 4.660 0.000 0.000 0.294 142 W C 2.428 178.725 176.519 -0.370 0.000 1.212 142 W CA 1.408 58.486 57.345 -0.446 0.000 1.271 142 W CB -0.731 28.320 29.460 -0.681 0.000 1.126 142 W HN 0.406 nan 8.180 nan 0.000 0.535 143 A N 0.690 123.375 122.820 -0.225 0.000 1.845 143 A HA -0.197 4.123 4.320 0.000 0.000 0.215 143 A C 2.295 179.797 177.584 -0.137 0.000 1.195 143 A CA 1.934 53.757 52.037 -0.356 0.000 0.616 143 A CB -1.246 17.254 19.000 -0.833 0.000 0.832 143 A HN 0.263 nan 8.150 nan 0.000 0.443 144 L N -0.456 120.735 121.223 -0.054 0.000 2.081 144 L HA -0.212 4.129 4.340 0.000 0.000 0.212 144 L C 2.789 179.732 176.870 0.123 0.000 1.080 144 L CA 1.800 56.732 54.840 0.153 0.000 0.754 144 L CB -0.814 41.459 42.059 0.357 0.000 0.893 144 L HN 0.410 nan 8.230 nan 0.000 0.433 145 T N -0.654 113.931 114.554 0.052 0.000 2.708 145 T HA -0.157 4.193 4.350 0.000 0.000 0.266 145 T C 1.623 176.284 174.700 -0.065 0.000 1.037 145 T CA 1.609 63.649 62.100 -0.099 0.000 1.146 145 T CB -0.228 68.458 68.868 -0.302 0.000 0.865 145 T HN 0.301 nan 8.240 nan 0.000 0.435 146 N N 0.718 119.401 118.700 -0.029 0.000 2.331 146 N HA 0.139 4.879 4.740 0.000 0.000 0.180 146 N C 1.717 177.244 175.510 0.028 0.000 1.019 146 N CA 0.526 53.575 53.050 -0.002 0.000 0.881 146 N CB -0.299 38.191 38.487 0.006 0.000 0.972 146 N HN 0.387 nan 8.380 nan 0.000 0.435 147 I N 0.230 120.823 120.570 0.039 0.000 2.353 147 I HA -0.138 4.033 4.170 0.000 0.000 0.248 147 I C 1.942 178.100 176.117 0.067 0.000 1.119 147 I CA 0.684 62.021 61.300 0.061 0.000 1.417 147 I CB -0.159 37.895 38.000 0.089 0.000 1.078 147 I HN 0.067 nan 8.210 nan 0.000 0.421 148 A N 0.269 123.128 122.820 0.065 0.000 2.119 148 A HA -0.142 4.178 4.320 0.000 0.000 0.217 148 A C 2.319 179.957 177.584 0.090 0.000 1.153 148 A CA 1.538 53.616 52.037 0.067 0.000 0.692 148 A CB -0.553 18.468 19.000 0.035 0.000 0.799 148 A HN 0.504 nan 8.150 nan 0.000 0.458 149 S N -0.774 114.981 115.700 0.091 0.000 2.603 149 S HA 0.296 4.766 4.470 0.000 0.000 0.220 149 S C 1.273 175.932 174.600 0.098 0.000 0.967 149 S CA 0.516 58.789 58.200 0.123 0.000 0.920 149 S CB -0.427 62.846 63.200 0.122 0.000 0.773 149 S HN 0.565 nan 8.310 nan 0.000 0.529 150 G N 1.850 110.698 108.800 0.079 0.000 2.873 150 G HA2 0.389 4.349 3.960 0.000 0.000 0.170 150 G HA3 0.389 4.349 3.960 0.000 0.000 0.170 150 G C 0.316 175.254 174.900 0.065 0.000 1.608 150 G CA 0.198 45.337 45.100 0.066 0.000 1.084 150 G HN 0.581 nan 8.290 nan 0.000 0.563 151 T N -2.441 112.146 114.554 0.055 0.000 2.788 151 T HA 0.291 4.641 4.350 0.000 0.000 0.287 151 T C 1.504 176.242 174.700 0.063 0.000 1.007 151 T CA 0.438 62.567 62.100 0.048 0.000 1.005 151 T CB 1.200 70.090 68.868 0.037 0.000 1.012 151 T HN 0.185 nan 8.240 nan 0.000 0.530 152 S N -0.186 115.543 115.700 0.048 0.000 2.383 152 S HA -0.136 4.334 4.470 0.000 0.000 0.229 152 S C 1.888 176.544 174.600 0.094 0.000 1.030 152 S CA 1.418 59.653 58.200 0.059 0.000 1.002 152 S CB -0.480 62.717 63.200 -0.005 0.000 0.829 152 S HN 0.851 nan 8.310 nan 0.000 0.467 153 E N 0.795 121.034 120.200 0.065 0.000 2.072 153 E HA -0.157 4.193 4.350 0.000 0.000 0.191 153 E C 2.197 178.847 176.600 0.083 0.000 0.985 153 E CA 0.838 57.280 56.400 0.070 0.000 0.801 153 E CB -0.030 29.697 29.700 0.044 0.000 0.750 153 E HN 0.576 nan 8.360 nan 0.000 0.452 154 Q N -0.425 119.420 119.800 0.074 0.000 2.084 154 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 154 Q C 2.183 178.235 176.000 0.087 0.000 0.978 154 Q CA 1.875 57.721 55.803 0.071 0.000 0.844 154 Q CB -0.047 28.729 28.738 0.062 0.000 0.898 154 Q HN 0.216 nan 8.270 nan 0.000 0.426 155 T N 1.134 115.757 114.554 0.115 0.000 2.788 155 T HA -0.153 4.197 4.350 0.000 0.000 0.268 155 T C 1.668 176.455 174.700 0.145 0.000 1.044 155 T CA 1.229 63.408 62.100 0.133 0.000 1.139 155 T CB -0.095 68.892 68.868 0.199 0.000 0.867 155 T HN 0.235 nan 8.240 nan 0.000 0.454 156 K N 1.131 121.677 120.400 0.243 0.000 2.057 156 K HA -0.071 4.249 4.320 0.000 0.000 0.207 156 K C 2.539 179.196 176.600 0.095 0.000 1.049 156 K CA 1.221 57.675 56.287 0.278 0.000 0.931 156 K CB -0.348 32.312 32.500 0.267 0.000 0.714 156 K HN 0.272 nan 8.250 nan 0.000 0.440 157 A N 0.806 123.670 122.820 0.075 0.000 1.873 157 A HA -0.174 4.146 4.320 0.000 0.000 0.218 157 A C 2.261 179.854 177.584 0.015 0.000 1.193 157 A CA 2.045 54.106 52.037 0.039 0.000 0.629 157 A CB -0.899 18.125 19.000 0.040 0.000 0.826 157 A HN 0.186 nan 8.150 nan 0.000 0.447 158 V N -0.433 119.494 119.914 0.020 0.000 2.233 158 V HA -0.275 3.845 4.120 0.000 0.000 0.247 158 V C 2.584 178.650 176.094 -0.046 0.000 1.050 158 V CA 2.133 64.445 62.300 0.021 0.000 1.010 158 V CB -1.031 30.826 31.823 0.055 0.000 0.637 158 V HN 0.383 nan 8.190 nan 0.000 0.444 159 V N 0.454 120.273 119.914 -0.158 0.000 2.282 159 V HA -0.320 3.801 4.120 0.000 0.000 0.249 159 V C 2.260 178.269 176.094 -0.143 0.000 1.057 159 V CA 2.401 64.533 62.300 -0.280 0.000 1.032 159 V CB -0.857 30.536 31.823 -0.717 0.000 0.645 159 V HN 0.582 nan 8.190 nan 0.000 0.447 160 D N 0.602 120.958 120.400 -0.073 0.000 2.265 160 D HA -0.106 4.534 4.640 0.000 0.000 0.208 160 D C 2.080 178.363 176.300 -0.027 0.000 0.977 160 D CA 1.439 55.426 54.000 -0.022 0.000 0.871 160 D CB -0.495 40.311 40.800 0.010 0.000 0.925 160 D HN 0.530 nan 8.370 nan 0.000 0.485 161 G N -0.574 108.205 108.800 -0.036 0.000 2.679 161 G HA2 0.173 4.133 3.960 0.000 0.000 0.212 161 G HA3 0.173 4.133 3.960 0.000 0.000 0.212 161 G C 1.232 176.104 174.900 -0.047 0.000 1.137 161 G CA 0.565 45.641 45.100 -0.041 0.000 0.787 161 G HN 0.459 nan 8.290 nan 0.000 0.534 162 G N -1.120 107.653 108.800 -0.045 0.000 2.141 162 G HA2 0.008 3.968 3.960 0.000 0.000 0.231 162 G HA3 0.008 3.968 3.960 0.000 0.000 0.231 162 G C 1.204 176.072 174.900 -0.054 0.000 0.984 162 G CA 0.923 46.000 45.100 -0.038 0.000 0.660 162 G HN 1.085 nan 8.290 nan 0.000 0.525 163 A N 0.026 122.813 122.820 -0.055 0.000 1.930 163 A HA 0.263 4.583 4.320 0.000 0.000 0.217 163 A C 2.365 179.966 177.584 0.029 0.000 1.175 163 A CA 1.719 53.732 52.037 -0.040 0.000 0.627 163 A CB -0.305 18.746 19.000 0.085 0.000 0.815 163 A HN 0.772 nan 8.150 nan 0.000 0.443 164 I N 0.604 121.139 120.570 -0.058 0.000 2.087 164 I HA -0.234 3.936 4.170 0.000 0.000 0.240 164 I C -0.186 175.874 176.117 -0.095 0.000 1.054 164 I CA 2.142 63.349 61.300 -0.155 0.000 1.311 164 I CB -1.270 36.408 38.000 -0.535 0.000 1.024 164 I HN 0.290 nan 8.210 nan 0.000 0.402 165 P HA -0.159 nan 4.420 nan 0.000 0.218 165 P C 1.388 178.720 177.300 0.053 0.000 1.149 165 P CA 2.056 65.210 63.100 0.089 0.000 0.817 165 P CB -0.013 31.800 31.700 0.187 0.000 0.785 166 A N -0.238 122.579 122.820 -0.006 0.000 1.858 166 A HA -0.170 4.150 4.320 0.000 0.000 0.216 166 A C 2.097 179.650 177.584 -0.052 0.000 1.190 166 A CA 1.418 53.413 52.037 -0.071 0.000 0.617 166 A CB -1.817 17.069 19.000 -0.190 0.000 0.827 166 A HN 0.031 nan 8.150 nan 0.000 0.443 167 F N 0.071 120.022 119.950 0.003 0.000 2.216 167 F HA -0.077 4.450 4.527 0.000 0.000 0.300 167 F C 2.099 177.913 175.800 0.023 0.000 1.085 167 F CA 0.914 58.922 58.000 0.015 0.000 1.326 167 F CB -0.358 38.642 39.000 -0.001 0.000 1.027 167 F HN 0.132 nan 8.300 nan 0.000 0.497 168 I N -1.393 119.293 120.570 0.195 0.000 2.394 168 I HA -0.272 3.898 4.170 0.000 0.000 0.251 168 I C 2.303 178.485 176.117 0.109 0.000 1.136 168 I CA 1.016 62.394 61.300 0.131 0.000 1.425 168 I CB -0.547 37.517 38.000 0.106 0.000 1.079 168 I HN -0.022 nan 8.210 nan 0.000 0.425 169 S N 0.843 116.598 115.700 0.091 0.000 2.383 169 S HA -0.041 4.429 4.470 0.000 0.000 0.227 169 S C 1.909 176.557 174.600 0.080 0.000 1.026 169 S CA 1.029 59.271 58.200 0.069 0.000 0.981 169 S CB -0.221 63.006 63.200 0.044 0.000 0.818 169 S HN 0.369 nan 8.310 nan 0.000 0.472 170 L N 1.247 122.532 121.223 0.104 0.000 2.456 170 L HA 0.019 4.360 4.340 0.000 0.000 0.224 170 L C 1.787 178.741 176.870 0.140 0.000 1.148 170 L CA 0.362 55.277 54.840 0.124 0.000 0.825 170 L CB -0.513 41.642 42.059 0.160 0.000 0.937 170 L HN 0.304 nan 8.230 nan 0.000 0.450 171 L N -0.166 121.139 121.223 0.136 0.000 2.131 171 L HA -0.183 4.157 4.340 0.000 0.000 0.210 171 L C 2.568 179.506 176.870 0.114 0.000 1.092 171 L CA 1.152 56.071 54.840 0.131 0.000 0.759 171 L CB -0.504 41.618 42.059 0.106 0.000 0.903 171 L HN 0.267 nan 8.230 nan 0.000 0.435 172 A N -1.249 121.623 122.820 0.086 0.000 2.251 172 A HA 0.008 4.328 4.320 0.000 0.000 0.209 172 A C 1.305 178.915 177.584 0.043 0.000 1.187 172 A CA 0.059 52.132 52.037 0.061 0.000 0.823 172 A CB -0.227 18.801 19.000 0.046 0.000 0.846 172 A HN 0.254 nan 8.150 nan 0.000 0.486 173 S N 0.688 116.422 115.700 0.057 0.000 2.593 173 S HA 0.118 4.588 4.470 0.000 0.000 0.300 173 S C -1.331 173.251 174.600 -0.030 0.000 1.267 173 S CA -0.676 57.543 58.200 0.031 0.000 1.065 173 S CB 0.538 63.785 63.200 0.080 0.000 0.807 173 S HN 0.231 nan 8.310 nan 0.000 0.499 174 P HA -0.025 nan 4.420 nan 0.000 0.228 174 P C -0.397 176.713 177.300 -0.318 0.000 1.151 174 P CA 0.958 63.910 63.100 -0.247 0.000 0.770 174 P CB 0.007 31.501 31.700 -0.344 0.000 0.786 175 H N -0.750 118.327 119.070 0.011 0.000 2.685 175 H HA 0.352 4.908 4.556 0.000 0.000 0.286 175 H C 1.330 176.661 175.328 0.004 0.000 1.102 175 H CA -0.550 55.517 56.048 0.032 0.000 1.254 175 H CB 0.956 30.715 29.762 -0.005 0.000 1.397 175 H HN -0.037 nan 8.280 nan 0.000 0.473 176 A N 3.602 126.475 122.820 0.089 0.000 1.997 176 A HA -0.257 4.063 4.320 0.000 0.000 0.221 176 A C 2.050 179.689 177.584 0.091 0.000 1.172 176 A CA 1.891 53.902 52.037 -0.044 0.000 0.645 176 A CB -0.695 18.164 19.000 -0.235 0.000 0.813 176 A HN 0.849 nan 8.150 nan 0.000 0.454 177 H N -1.255 117.822 119.070 0.012 0.000 2.524 177 H HA 0.128 4.684 4.556 0.000 0.000 0.282 177 H C 1.744 177.169 175.328 0.162 0.000 1.016 177 H CA 1.236 57.296 56.048 0.020 0.000 1.270 177 H CB -0.480 29.156 29.762 -0.211 0.000 1.394 177 H HN 0.523 nan 8.280 nan 0.000 0.568 178 I N 1.229 121.610 120.570 -0.314 0.000 2.494 178 I HA -0.167 4.003 4.170 0.000 0.000 0.250 178 I C 2.698 178.907 176.117 0.153 0.000 1.112 178 I CA 1.018 62.284 61.300 -0.057 0.000 1.438 178 I CB -0.149 37.803 38.000 -0.080 0.000 1.111 178 I HN 0.297 nan 8.210 nan 0.000 0.431 179 S N 0.333 116.135 115.700 0.170 0.000 2.402 179 S HA -0.228 4.243 4.470 0.000 0.000 0.229 179 S C 1.891 176.666 174.600 0.292 0.000 1.021 179 S CA 1.304 59.643 58.200 0.231 0.000 0.974 179 S CB -0.349 62.992 63.200 0.236 0.000 0.800 179 S HN 0.470 nan 8.310 nan 0.000 0.484 180 E N 0.245 120.680 120.200 0.391 0.000 2.110 180 E HA -0.174 4.177 4.350 0.000 0.000 0.193 180 E C 2.214 178.988 176.600 0.290 0.000 0.988 180 E CA 1.067 57.697 56.400 0.385 0.000 0.804 180 E CB -0.110 29.893 29.700 0.505 0.000 0.745 180 E HN 0.498 nan 8.360 nan 0.000 0.458 181 Q N -0.296 119.666 119.800 0.270 0.000 2.167 181 Q HA -0.076 4.265 4.340 0.000 0.000 0.202 181 Q C 2.006 178.097 176.000 0.151 0.000 0.970 181 Q CA 1.186 57.104 55.803 0.193 0.000 0.855 181 Q CB -0.097 28.751 28.738 0.184 0.000 0.911 181 Q HN 0.345 nan 8.270 nan 0.000 0.438 182 A N -0.003 122.951 122.820 0.223 0.000 1.930 182 A HA -0.092 4.228 4.320 0.000 0.000 0.217 182 A C 2.357 179.962 177.584 0.035 0.000 1.175 182 A CA 1.223 53.387 52.037 0.211 0.000 0.627 182 A CB -0.416 18.778 19.000 0.324 0.000 0.815 182 A HN 0.202 nan 8.150 nan 0.000 0.443 183 V N -1.765 118.207 119.914 0.097 0.000 2.358 183 V HA -0.203 3.917 4.120 0.000 0.000 0.246 183 V C 2.248 178.425 176.094 0.138 0.000 1.047 183 V CA 1.575 63.910 62.300 0.059 0.000 1.035 183 V CB -0.807 31.015 31.823 -0.001 0.000 0.658 183 V HN 0.863 nan 8.190 nan 0.000 0.452 184 W N 1.132 122.428 121.300 -0.007 0.000 2.381 184 W HA -0.124 4.536 4.660 0.000 0.000 0.301 184 W C 2.473 178.996 176.519 0.007 0.000 1.205 184 W CA 1.924 59.324 57.345 0.091 0.000 1.285 184 W CB -0.556 28.887 29.460 -0.028 0.000 1.133 184 W HN 0.275 nan 8.180 nan 0.000 0.521 185 A N 0.424 123.242 122.820 -0.003 0.000 1.873 185 A HA -0.150 4.170 4.320 0.000 0.000 0.215 185 A C 2.218 179.611 177.584 -0.317 0.000 1.186 185 A CA 1.647 53.440 52.037 -0.407 0.000 0.616 185 A CB -1.119 16.992 19.000 -1.482 0.000 0.823 185 A HN 0.259 nan 8.150 nan 0.000 0.442 186 L N -0.512 120.538 121.223 -0.289 0.000 2.275 186 L HA -0.083 4.257 4.340 0.000 0.000 0.215 186 L C 2.671 179.450 176.870 -0.152 0.000 1.119 186 L CA 0.681 55.414 54.840 -0.179 0.000 0.790 186 L CB -0.612 41.381 42.059 -0.110 0.000 0.919 186 L HN 0.507 nan 8.230 nan 0.000 0.443 187 G N -0.111 108.616 108.800 -0.121 0.000 2.414 187 G HA2 -0.241 3.720 3.960 0.000 0.000 0.215 187 G HA3 -0.241 3.720 3.960 0.000 0.000 0.215 187 G C 1.400 176.119 174.900 -0.301 0.000 1.188 187 G CA 0.415 45.277 45.100 -0.397 0.000 0.783 187 G HN 0.269 nan 8.290 nan 0.000 0.537 188 N N 0.646 119.408 118.700 0.103 0.000 2.166 188 N HA -0.043 4.697 4.740 0.000 0.000 0.186 188 N C 2.249 177.789 175.510 0.050 0.000 1.019 188 N CA 0.740 53.898 53.050 0.179 0.000 0.856 188 N CB -0.198 38.436 38.487 0.246 0.000 0.993 188 N HN 0.366 nan 8.380 nan 0.000 0.426 189 I N 0.805 121.366 120.570 -0.015 0.000 2.133 189 I HA -0.221 3.949 4.170 0.000 0.000 0.238 189 I C 2.290 178.435 176.117 0.047 0.000 1.074 189 I CA 1.087 62.383 61.300 -0.007 0.000 1.342 189 I CB -0.395 37.535 38.000 -0.117 0.000 1.053 189 I HN 0.046 nan 8.210 nan 0.000 0.404 190 A N 0.963 123.757 122.820 -0.042 0.000 1.978 190 A HA -0.142 4.178 4.320 0.000 0.000 0.220 190 A C 2.367 179.906 177.584 -0.076 0.000 1.170 190 A CA 1.834 53.843 52.037 -0.046 0.000 0.636 190 A CB -1.432 17.495 19.000 -0.122 0.000 0.810 190 A HN 0.507 nan 8.150 nan 0.000 0.448 191 G N -0.489 108.234 108.800 -0.129 0.000 2.498 191 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 191 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 191 G C 1.137 176.006 174.900 -0.053 0.000 1.119 191 G CA 1.266 46.286 45.100 -0.132 0.000 0.766 191 G HN 0.585 nan 8.290 nan 0.000 0.552 192 D N -0.210 120.203 120.400 0.022 0.000 2.178 192 D HA 0.247 4.887 4.640 0.000 0.000 0.201 192 D C 1.301 177.564 176.300 -0.061 0.000 0.980 192 D CA 1.555 55.572 54.000 0.028 0.000 0.842 192 D CB -0.015 40.883 40.800 0.164 0.000 0.948 192 D HN 0.458 nan 8.370 nan 0.000 0.472 193 G N -2.743 106.015 108.800 -0.071 0.000 2.341 193 G HA2 0.091 4.051 3.960 0.000 0.000 0.293 193 G HA3 0.091 4.051 3.960 0.000 0.000 0.293 193 G C 0.565 175.409 174.900 -0.095 0.000 1.298 193 G CA 0.070 45.102 45.100 -0.114 0.000 0.868 193 G HN -0.085 nan 8.290 nan 0.000 0.540 194 S N -0.061 115.580 115.700 -0.099 0.000 2.369 194 S HA -0.187 4.283 4.470 0.000 0.000 0.225 194 S C 2.915 177.490 174.600 -0.041 0.000 1.043 194 S CA 3.144 61.303 58.200 -0.069 0.000 1.074 194 S CB -0.813 62.346 63.200 -0.067 0.000 0.962 194 S HN 1.638 nan 8.310 nan 0.000 0.433 195 A N 1.571 124.342 122.820 -0.082 0.000 1.869 195 A HA -0.135 4.185 4.320 0.000 0.000 0.218 195 A C 1.919 179.576 177.584 0.122 0.000 1.203 195 A CA 1.937 53.947 52.037 -0.045 0.000 0.638 195 A CB -1.059 17.831 19.000 -0.184 0.000 0.831 195 A HN 0.458 nan 8.150 nan 0.000 0.450 196 F N -0.260 119.677 119.950 -0.022 0.000 2.293 196 F HA -0.022 4.505 4.527 0.000 0.000 0.300 196 F C 2.361 178.139 175.800 -0.036 0.000 1.086 196 F CA 0.869 58.854 58.000 -0.026 0.000 1.375 196 F CB -0.801 38.179 39.000 -0.034 0.000 1.045 196 F HN 0.305 nan 8.300 nan 0.000 0.516 197 R N 0.694 121.272 120.500 0.131 0.000 2.073 197 R HA -0.155 4.185 4.340 0.000 0.000 0.234 197 R C 1.521 177.849 176.300 0.046 0.000 1.134 197 R CA 2.002 58.125 56.100 0.039 0.000 0.952 197 R CB -0.339 29.951 30.300 -0.018 0.000 0.850 197 R HN 0.122 nan 8.270 nan 0.000 0.433 198 D N 0.523 120.959 120.400 0.059 0.000 2.277 198 D HA -0.112 4.528 4.640 0.000 0.000 0.208 198 D C 1.783 178.143 176.300 0.100 0.000 0.962 198 D CA 0.462 54.497 54.000 0.060 0.000 0.865 198 D CB 0.057 40.883 40.800 0.043 0.000 0.939 198 D HN 0.193 nan 8.370 nan 0.000 0.510 199 L N 0.540 121.850 121.223 0.144 0.000 2.095 199 L HA -0.076 4.264 4.340 0.000 0.000 0.204 199 L C 2.224 179.224 176.870 0.216 0.000 1.080 199 L CA 1.048 56.010 54.840 0.203 0.000 0.759 199 L CB -0.343 41.845 42.059 0.215 0.000 0.914 199 L HN -0.184 nan 8.230 nan 0.000 0.439 200 V N -0.089 119.873 119.914 0.080 0.000 2.287 200 V HA -0.326 3.794 4.120 0.000 0.000 0.248 200 V C 2.492 178.639 176.094 0.088 0.000 1.053 200 V CA 2.215 64.529 62.300 0.022 0.000 1.027 200 V CB -0.496 31.314 31.823 -0.021 0.000 0.646 200 V HN 0.389 nan 8.190 nan 0.000 0.447 201 I N -0.545 120.070 120.570 0.075 0.000 2.226 201 I HA -0.261 3.909 4.170 0.000 0.000 0.245 201 I C 2.545 178.712 176.117 0.083 0.000 1.100 201 I CA 1.618 62.956 61.300 0.063 0.000 1.374 201 I CB -0.426 37.597 38.000 0.038 0.000 1.057 201 I HN 0.283 nan 8.210 nan 0.000 0.413 202 K N -0.138 120.329 120.400 0.110 0.000 2.148 202 K HA -0.167 4.153 4.320 0.000 0.000 0.204 202 K C 1.729 178.350 176.600 0.035 0.000 1.050 202 K CA 1.168 57.493 56.287 0.063 0.000 0.942 202 K CB -0.172 32.353 32.500 0.042 0.000 0.724 202 K HN 0.380 nan 8.250 nan 0.000 0.446 203 H N -0.510 118.569 119.070 0.016 0.000 2.556 203 H HA 0.095 4.651 4.556 0.000 0.000 0.268 203 H C 0.518 175.857 175.328 0.018 0.000 0.996 203 H CA 0.691 56.749 56.048 0.017 0.000 1.157 203 H CB 0.117 29.890 29.762 0.018 0.000 1.355 203 H HN 0.354 nan 8.280 nan 0.000 0.597 204 G N 0.515 109.383 108.800 0.112 0.000 2.385 204 G HA2 -0.184 3.776 3.960 0.000 0.000 0.294 204 G HA3 -0.184 3.776 3.960 0.000 0.000 0.294 204 G C 0.865 175.807 174.900 0.069 0.000 1.070 204 G CA 0.391 45.533 45.100 0.069 0.000 1.172 204 G HN 0.610 nan 8.290 nan 0.000 0.516 205 A N 0.025 122.882 122.820 0.062 0.000 2.115 205 A HA 0.467 4.788 4.320 0.000 0.000 0.211 205 A C 2.307 179.907 177.584 0.027 0.000 1.169 205 A CA 1.163 53.227 52.037 0.046 0.000 0.787 205 A CB -0.031 18.988 19.000 0.032 0.000 0.858 205 A HN 0.709 nan 8.150 nan 0.000 0.474 206 I N 0.328 120.911 120.570 0.021 0.000 2.163 206 I HA -0.276 3.894 4.170 0.000 0.000 0.243 206 I C 1.829 177.955 176.117 0.015 0.000 1.085 206 I CA 1.584 62.891 61.300 0.012 0.000 1.347 206 I CB -0.473 37.533 38.000 0.011 0.000 1.044 206 I HN 0.309 nan 8.210 nan 0.000 0.408 207 D N 0.934 121.347 120.400 0.022 0.000 2.084 207 D HA -0.133 4.507 4.640 0.000 0.000 0.194 207 D C -0.306 176.010 176.300 0.027 0.000 0.990 207 D CA 1.599 55.612 54.000 0.022 0.000 0.826 207 D CB -1.650 39.164 40.800 0.023 0.000 0.971 207 D HN 0.278 nan 8.370 nan 0.000 0.453 208 P HA -0.090 nan 4.420 nan 0.000 0.215 208 P C 1.917 179.241 177.300 0.039 0.000 1.153 208 P CA 0.762 63.887 63.100 0.042 0.000 0.853 208 P CB -0.011 31.720 31.700 0.051 0.000 0.788 209 L N -1.303 119.935 121.223 0.026 0.000 1.961 209 L HA -0.182 4.159 4.340 0.000 0.000 0.210 209 L C 2.505 179.380 176.870 0.007 0.000 1.072 209 L CA 1.532 56.377 54.840 0.008 0.000 0.749 209 L CB -1.249 40.803 42.059 -0.011 0.000 0.889 209 L HN -0.080 nan 8.230 nan 0.000 0.432 210 L N -0.297 120.930 121.223 0.007 0.000 2.137 210 L HA -0.272 4.069 4.340 0.000 0.000 0.213 210 L C 2.804 179.685 176.870 0.018 0.000 1.085 210 L CA 1.167 56.011 54.840 0.008 0.000 0.760 210 L CB -0.839 41.225 42.059 0.009 0.000 0.893 210 L HN 0.336 nan 8.230 nan 0.000 0.434 211 A N 0.115 122.951 122.820 0.026 0.000 1.972 211 A HA -0.146 4.174 4.320 0.000 0.000 0.219 211 A C 2.183 179.796 177.584 0.048 0.000 1.169 211 A CA 1.264 53.322 52.037 0.034 0.000 0.635 211 A CB -0.593 18.428 19.000 0.037 0.000 0.810 211 A HN 0.415 nan 8.150 nan 0.000 0.446 212 L N -0.961 120.299 121.223 0.061 0.000 2.456 212 L HA -0.023 4.317 4.340 0.000 0.000 0.224 212 L C 1.425 178.353 176.870 0.098 0.000 1.148 212 L CA 0.507 55.411 54.840 0.107 0.000 0.825 212 L CB -0.236 41.900 42.059 0.127 0.000 0.937 212 L HN 0.350 nan 8.230 nan 0.000 0.450 213 L N -0.531 120.721 121.223 0.048 0.000 2.728 213 L HA 0.266 4.606 4.340 0.000 0.000 0.238 213 L C 1.246 178.133 176.870 0.027 0.000 1.143 213 L CA -0.372 54.486 54.840 0.030 0.000 0.937 213 L CB 0.127 42.186 42.059 -0.001 0.000 1.225 213 L HN 0.030 nan 8.230 nan 0.000 0.507 214 A N 1.535 124.374 122.820 0.033 0.000 3.077 214 A HA 0.452 4.772 4.320 0.000 0.000 0.255 214 A C 0.210 177.810 177.584 0.026 0.000 1.728 214 A CA -0.143 51.909 52.037 0.026 0.000 1.383 214 A CB -0.904 18.110 19.000 0.025 0.000 1.097 214 A HN 0.122 nan 8.150 nan 0.000 0.634 215 V N -2.106 117.823 119.914 0.026 0.000 3.074 215 V HA 0.577 4.697 4.120 0.000 0.000 0.314 215 V C -1.893 174.214 176.094 0.022 0.000 1.117 215 V CA -1.692 60.623 62.300 0.025 0.000 1.014 215 V CB 0.916 32.757 31.823 0.031 0.000 1.057 215 V HN 0.299 nan 8.190 nan 0.000 0.438 216 P HA 0.051 nan 4.420 nan 0.000 0.216 216 P C -0.182 177.133 177.300 0.026 0.000 1.153 216 P CA 1.240 64.351 63.100 0.019 0.000 0.844 216 P CB 0.219 31.929 31.700 0.016 0.000 0.787 217 D N -1.140 119.280 120.400 0.033 0.000 2.593 217 D HA 0.142 4.782 4.640 0.000 0.000 0.251 217 D C 0.940 177.276 176.300 0.060 0.000 1.140 217 D CA -0.390 53.639 54.000 0.049 0.000 0.855 217 D CB 1.429 42.257 40.800 0.047 0.000 1.267 217 D HN -0.171 nan 8.370 nan 0.000 0.532 218 L N 2.085 123.352 121.223 0.073 0.000 2.191 218 L HA -0.137 4.203 4.340 0.000 0.000 0.212 218 L C 2.190 179.120 176.870 0.100 0.000 1.103 218 L CA 0.675 55.536 54.840 0.035 0.000 0.769 218 L CB -0.196 41.818 42.059 -0.076 0.000 0.908 218 L HN 0.321 nan 8.230 nan 0.000 0.438 219 S N -0.665 115.154 115.700 0.198 0.000 2.440 219 S HA -0.181 4.289 4.470 0.000 0.000 0.238 219 S C 2.025 176.692 174.600 0.112 0.000 1.010 219 S CA 1.753 60.074 58.200 0.203 0.000 0.972 219 S CB -0.434 62.845 63.200 0.133 0.000 0.774 219 S HN 0.673 nan 8.310 nan 0.000 0.501 220 T N -0.111 114.489 114.554 0.077 0.000 3.055 220 T HA 0.180 4.530 4.350 0.000 0.000 0.265 220 T C 0.619 175.347 174.700 0.046 0.000 1.111 220 T CA 0.195 62.325 62.100 0.050 0.000 1.118 220 T CB -0.415 68.475 68.868 0.036 0.000 0.909 220 T HN 0.182 nan 8.240 nan 0.000 0.501 221 L N 1.474 122.735 121.223 0.063 0.000 2.439 221 L HA 0.572 4.912 4.340 0.000 0.000 0.261 221 L C 0.914 177.836 176.870 0.087 0.000 1.153 221 L CA -1.109 53.778 54.840 0.078 0.000 0.808 221 L CB 0.379 42.511 42.059 0.122 0.000 1.126 221 L HN 0.199 nan 8.230 nan 0.000 0.460 222 A N 0.757 123.632 122.820 0.092 0.000 2.524 222 A HA -0.011 4.309 4.320 0.000 0.000 0.250 222 A C 1.149 178.810 177.584 0.128 0.000 1.078 222 A CA -0.169 51.924 52.037 0.094 0.000 0.761 222 A CB 0.168 19.215 19.000 0.079 0.000 1.012 222 A HN 1.069 nan 8.150 nan 0.000 0.500 223 C N 2.744 122.101 119.300 0.096 0.000 2.385 223 C HA -0.154 4.307 4.460 0.000 0.000 0.275 223 C C 2.594 177.628 174.990 0.073 0.000 1.207 223 C CA 2.100 61.172 59.018 0.091 0.000 1.760 223 C CB -1.476 26.307 27.740 0.071 0.000 2.051 223 C HN 0.948 nan 8.230 nan 0.000 0.467 224 G N -2.601 106.244 108.800 0.074 0.000 2.430 224 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 224 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 224 G C 1.396 176.338 174.900 0.069 0.000 1.146 224 G CA 0.826 45.953 45.100 0.045 0.000 0.793 224 G HN 0.660 nan 8.290 nan 0.000 0.537 225 Y N 0.667 120.968 120.300 0.001 0.000 2.181 225 Y HA -0.047 4.503 4.550 0.000 0.000 0.288 225 Y C 2.399 178.295 175.900 -0.005 0.000 1.146 225 Y CA 1.207 59.315 58.100 0.013 0.000 1.164 225 Y CB -0.173 38.302 38.460 0.026 0.000 0.982 225 Y HN 0.142 nan 8.280 nan 0.000 0.515 226 L N 0.543 121.788 121.223 0.036 0.000 2.141 226 L HA -0.088 4.252 4.340 0.000 0.000 0.209 226 L C 2.188 179.002 176.870 -0.092 0.000 1.094 226 L CA 1.548 56.349 54.840 -0.066 0.000 0.763 226 L CB -0.628 41.395 42.059 -0.059 0.000 0.908 226 L HN 0.105 nan 8.230 nan 0.000 0.437 227 R N -0.862 119.597 120.500 -0.067 0.000 2.090 227 R HA -0.053 4.287 4.340 0.000 0.000 0.228 227 R C 2.008 178.250 176.300 -0.096 0.000 1.110 227 R CA 1.116 57.173 56.100 -0.071 0.000 0.973 227 R CB -0.370 29.877 30.300 -0.087 0.000 0.869 227 R HN 0.437 nan 8.270 nan 0.000 0.440 228 N N 0.839 119.440 118.700 -0.164 0.000 2.188 228 N HA -0.106 4.634 4.740 0.000 0.000 0.184 228 N C 1.872 177.362 175.510 -0.033 0.000 1.018 228 N CA 1.064 54.022 53.050 -0.152 0.000 0.858 228 N CB -0.006 38.354 38.487 -0.212 0.000 0.989 228 N HN 0.166 nan 8.380 nan 0.000 0.426 229 L N 0.678 121.811 121.223 -0.150 0.000 2.017 229 L HA -0.140 4.201 4.340 0.000 0.000 0.208 229 L C 2.334 179.170 176.870 -0.056 0.000 1.073 229 L CA 1.137 55.893 54.840 -0.139 0.000 0.745 229 L CB -0.777 41.151 42.059 -0.218 0.000 0.894 229 L HN 0.108 nan 8.230 nan 0.000 0.432 230 T N -1.366 113.168 114.554 -0.033 0.000 2.720 230 T HA -0.276 4.074 4.350 0.000 0.000 0.268 230 T C 1.311 176.055 174.700 0.074 0.000 1.037 230 T CA 1.792 63.898 62.100 0.011 0.000 1.144 230 T CB -0.404 68.474 68.868 0.017 0.000 0.864 230 T HN 0.527 nan 8.240 nan 0.000 0.444 231 W N 1.661 122.895 121.300 -0.110 0.000 2.379 231 W HA -0.126 4.535 4.660 0.000 0.000 0.307 231 W C 2.316 178.784 176.519 -0.084 0.000 1.200 231 W CA 1.381 58.665 57.345 -0.102 0.000 1.297 231 W CB -0.833 28.512 29.460 -0.191 0.000 1.140 231 W HN 0.061 nan 8.180 nan 0.000 0.507 232 T N 1.717 116.164 114.554 -0.178 0.000 2.746 232 T HA -0.211 4.139 4.350 0.000 0.000 0.267 232 T C 1.931 176.459 174.700 -0.287 0.000 1.039 232 T CA 1.940 63.786 62.100 -0.423 0.000 1.142 232 T CB -0.550 68.198 68.868 -0.200 0.000 0.866 232 T HN 0.140 nan 8.240 nan 0.000 0.444 233 L N 0.957 122.094 121.223 -0.143 0.000 2.083 233 L HA -0.124 4.216 4.340 0.000 0.000 0.209 233 L C 2.863 179.692 176.870 -0.069 0.000 1.083 233 L CA 1.251 56.039 54.840 -0.086 0.000 0.752 233 L CB -0.724 41.311 42.059 -0.039 0.000 0.899 233 L HN 0.321 nan 8.230 nan 0.000 0.433 234 S N 0.528 116.193 115.700 -0.058 0.000 2.374 234 S HA -0.236 4.234 4.470 0.000 0.000 0.227 234 S C 1.823 176.432 174.600 0.015 0.000 1.037 234 S CA 1.950 60.180 58.200 0.050 0.000 1.024 234 S CB -0.274 62.977 63.200 0.086 0.000 0.861 234 S HN 0.456 nan 8.310 nan 0.000 0.456 235 N N 1.023 119.577 118.700 -0.245 0.000 2.396 235 N HA 0.112 4.852 4.740 0.000 0.000 0.180 235 N C 1.510 176.900 175.510 -0.201 0.000 1.028 235 N CA 0.676 53.546 53.050 -0.299 0.000 0.893 235 N CB -0.438 37.752 38.487 -0.495 0.000 0.967 235 N HN 0.457 nan 8.380 nan 0.000 0.440 236 L N -0.498 120.638 121.223 -0.145 0.000 2.478 236 L HA -0.014 4.327 4.340 0.000 0.000 0.223 236 L C 1.438 178.281 176.870 -0.046 0.000 1.140 236 L CA 0.303 55.090 54.840 -0.089 0.000 0.842 236 L CB 0.074 42.092 42.059 -0.069 0.000 0.953 236 L HN 0.185 nan 8.230 nan 0.000 0.452 237 C N -1.800 117.492 119.300 -0.013 0.000 2.700 237 C HA 0.106 4.566 4.460 0.000 0.000 0.297 237 C C 1.699 176.686 174.990 -0.004 0.000 1.293 237 C CA -0.602 58.449 59.018 0.054 0.000 1.756 237 C CB -0.293 27.547 27.740 0.168 0.000 2.210 237 C HN 0.325 nan 8.230 nan 0.000 0.553 238 R N 2.089 122.478 120.500 -0.186 0.000 2.784 238 R HA 0.148 4.488 4.340 0.000 0.000 0.266 238 R C -0.378 175.711 176.300 -0.352 0.000 1.044 238 R CA 0.879 56.608 56.100 -0.619 0.000 1.151 238 R CB 0.012 29.838 30.300 -0.790 0.000 1.037 238 R HN 0.689 nan 8.270 nan 0.000 0.478 239 N N -0.067 118.412 118.700 -0.369 0.000 5.180 239 N HA -0.199 4.541 4.740 0.000 0.000 0.366 239 N C -1.665 173.779 175.510 -0.110 0.000 1.572 239 N CA 1.211 54.141 53.050 -0.199 0.000 2.673 239 N CB -0.087 38.300 38.487 -0.166 0.000 0.511 239 N HN 0.738 nan 8.380 nan 0.000 0.723 240 K N 0.157 120.512 120.400 -0.076 0.000 2.466 240 K HA 0.568 4.888 4.320 0.000 0.000 0.277 240 K C -1.003 175.573 176.600 -0.040 0.000 1.039 240 K CA -0.941 55.321 56.287 -0.041 0.000 0.904 240 K CB 0.902 33.392 32.500 -0.017 0.000 1.506 240 K HN 0.611 nan 8.250 nan 0.000 0.441 241 N N 1.275 119.959 118.700 -0.027 0.000 2.681 241 N HA -0.086 4.655 4.740 0.000 0.000 0.259 241 N C -2.479 173.010 175.510 -0.034 0.000 1.066 241 N CA 0.654 53.688 53.050 -0.027 0.000 0.717 241 N CB -1.283 37.187 38.487 -0.029 0.000 0.885 241 N HN 0.652 nan 8.380 nan 0.000 0.547 242 P HA 0.541 nan 4.420 nan 0.000 0.283 242 P C -0.480 176.807 177.300 -0.021 0.000 1.278 242 P CA -0.561 62.527 63.100 -0.020 0.000 0.834 242 P CB 0.983 32.675 31.700 -0.014 0.000 1.150 243 A N 1.771 124.584 122.820 -0.011 0.000 2.332 243 A HA 0.522 4.842 4.320 0.000 0.000 0.258 243 A C -2.124 175.456 177.584 -0.007 0.000 1.087 243 A CA -1.374 50.658 52.037 -0.008 0.000 0.802 243 A CB -1.434 17.570 19.000 0.006 0.000 1.042 243 A HN 0.416 nan 8.150 nan 0.000 0.489 244 P HA 0.110 nan 4.420 nan 0.000 0.267 244 P C -2.450 174.852 177.300 0.003 0.000 1.195 244 P CA -0.311 62.786 63.100 -0.004 0.000 0.773 244 P CB -0.403 31.297 31.700 0.000 0.000 0.837 245 P HA 0.072 nan 4.420 nan 0.000 0.267 245 P C 1.004 178.309 177.300 0.009 0.000 1.205 245 P CA 0.201 63.305 63.100 0.007 0.000 0.765 245 P CB 0.271 31.976 31.700 0.009 0.000 0.828 246 L N 2.612 123.841 121.223 0.009 0.000 2.021 246 L HA -0.245 4.095 4.340 0.000 0.000 0.215 246 L C 1.886 178.762 176.870 0.010 0.000 1.074 246 L CA 1.957 56.803 54.840 0.010 0.000 0.760 246 L CB -0.712 41.352 42.059 0.009 0.000 0.889 246 L HN 0.532 nan 8.230 nan 0.000 0.433 247 D N -0.177 120.228 120.400 0.009 0.000 2.310 247 D HA -0.144 4.496 4.640 0.000 0.000 0.212 247 D C 1.934 178.240 176.300 0.010 0.000 0.965 247 D CA 1.167 55.172 54.000 0.009 0.000 0.879 247 D CB 0.052 40.857 40.800 0.008 0.000 0.921 247 D HN 0.364 nan 8.370 nan 0.000 0.510 248 A N 1.118 123.944 122.820 0.010 0.000 1.930 248 A HA 0.019 4.339 4.320 0.000 0.000 0.215 248 A C 2.557 180.147 177.584 0.011 0.000 1.176 248 A CA 0.715 52.758 52.037 0.010 0.000 0.632 248 A CB -0.590 18.416 19.000 0.010 0.000 0.819 248 A HN 0.159 nan 8.150 nan 0.000 0.445 249 V N 0.285 120.207 119.914 0.013 0.000 2.358 249 V HA -0.188 3.932 4.120 0.000 0.000 0.246 249 V C 2.511 178.614 176.094 0.016 0.000 1.047 249 V CA 1.988 64.299 62.300 0.017 0.000 1.035 249 V CB -0.669 31.167 31.823 0.021 0.000 0.658 249 V HN 0.496 nan 8.190 nan 0.000 0.452 250 E N -0.167 120.041 120.200 0.013 0.000 2.110 250 E HA -0.254 4.096 4.350 0.000 0.000 0.193 250 E C 2.218 178.825 176.600 0.011 0.000 0.988 250 E CA 1.268 57.675 56.400 0.012 0.000 0.804 250 E CB -0.146 29.560 29.700 0.010 0.000 0.745 250 E HN 0.671 nan 8.360 nan 0.000 0.458 251 Q N 0.192 119.998 119.800 0.011 0.000 2.079 251 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 251 Q C 2.252 178.258 176.000 0.010 0.000 0.974 251 Q CA 0.965 56.774 55.803 0.010 0.000 0.840 251 Q CB 0.066 28.810 28.738 0.010 0.000 0.898 251 Q HN 0.267 nan 8.270 nan 0.000 0.430 252 I N 0.282 120.858 120.570 0.011 0.000 2.406 252 I HA -0.236 3.934 4.170 0.000 0.000 0.249 252 I C 2.201 178.326 176.117 0.014 0.000 1.122 252 I CA 0.380 61.686 61.300 0.010 0.000 1.431 252 I CB -0.197 37.809 38.000 0.009 0.000 1.087 252 I HN 0.243 nan 8.210 nan 0.000 0.424 253 L N 1.036 122.268 121.223 0.016 0.000 2.034 253 L HA -0.227 4.113 4.340 0.000 0.000 0.217 253 L C -0.172 176.710 176.870 0.020 0.000 1.077 253 L CA 2.189 57.040 54.840 0.019 0.000 0.769 253 L CB -1.975 40.094 42.059 0.018 0.000 0.890 253 L HN 0.185 nan 8.230 nan 0.000 0.435 254 P HA -0.171 nan 4.420 nan 0.000 0.215 254 P C 1.570 178.884 177.300 0.023 0.000 1.157 254 P CA 1.792 64.903 63.100 0.019 0.000 0.874 254 P CB -0.075 31.634 31.700 0.014 0.000 0.790 255 T N -0.695 113.870 114.554 0.018 0.000 2.777 255 T HA -0.101 4.250 4.350 0.000 0.000 0.266 255 T C 1.702 176.414 174.700 0.021 0.000 1.040 255 T CA 0.753 62.863 62.100 0.016 0.000 1.141 255 T CB -0.896 67.977 68.868 0.008 0.000 0.868 255 T HN -0.043 nan 8.240 nan 0.000 0.444 256 L N 1.306 122.541 121.223 0.020 0.000 2.012 256 L HA -0.055 4.286 4.340 0.000 0.000 0.210 256 L C 2.521 179.413 176.870 0.036 0.000 1.073 256 L CA 1.392 56.245 54.840 0.021 0.000 0.748 256 L CB -0.742 41.328 42.059 0.018 0.000 0.891 256 L HN 0.079 nan 8.230 nan 0.000 0.431 257 V N -0.410 119.534 119.914 0.050 0.000 2.392 257 V HA -0.327 3.793 4.120 0.000 0.000 0.249 257 V C 2.702 178.897 176.094 0.168 0.000 1.059 257 V CA 2.091 64.447 62.300 0.094 0.000 1.051 257 V CB -0.721 31.155 31.823 0.089 0.000 0.658 257 V HN 0.501 nan 8.190 nan 0.000 0.455 258 R N -0.443 120.123 120.500 0.110 0.000 2.189 258 R HA -0.059 4.282 4.340 0.000 0.000 0.223 258 R C 2.088 178.466 176.300 0.130 0.000 1.092 258 R CA 1.174 57.344 56.100 0.116 0.000 0.989 258 R CB -0.137 30.195 30.300 0.054 0.000 0.876 258 R HN 0.468 nan 8.270 nan 0.000 0.457 259 L N -0.043 121.229 121.223 0.082 0.000 2.270 259 L HA -0.046 4.294 4.340 0.000 0.000 0.210 259 L C 1.685 178.597 176.870 0.069 0.000 1.104 259 L CA 0.089 54.965 54.840 0.060 0.000 0.804 259 L CB -0.082 41.985 42.059 0.014 0.000 0.937 259 L HN 0.207 nan 8.230 nan 0.000 0.450 260 L N -0.906 120.332 121.223 0.025 0.000 2.622 260 L HA -0.086 4.254 4.340 0.000 0.000 0.233 260 L C 1.663 178.392 176.870 -0.235 0.000 1.156 260 L CA 1.366 56.149 54.840 -0.096 0.000 0.866 260 L CB -0.742 41.232 42.059 -0.142 0.000 0.980 260 L HN 0.259 nan 8.230 nan 0.000 0.448 261 H N -3.140 115.958 119.070 0.046 0.000 2.893 261 H HA 0.182 4.738 4.556 0.000 0.000 0.270 261 H C -0.107 175.267 175.328 0.076 0.000 1.095 261 H CA -0.260 55.813 56.048 0.042 0.000 1.186 261 H CB 0.319 30.101 29.762 0.032 0.000 1.562 261 H HN 0.294 nan 8.280 nan 0.000 0.536 262 H N 1.877 120.988 119.070 0.067 0.000 2.615 262 H HA -0.011 4.546 4.556 0.000 0.000 0.363 262 H C 1.324 176.665 175.328 0.021 0.000 1.148 262 H CA 0.141 56.215 56.048 0.044 0.000 1.401 262 H CB 0.925 30.707 29.762 0.033 0.000 1.461 262 H HN 0.245 nan 8.280 nan 0.000 0.588 263 N N 1.092 119.451 118.700 -0.568 0.000 2.457 263 N HA -0.097 4.643 4.740 0.000 0.000 0.180 263 N C -0.328 175.031 175.510 -0.253 0.000 1.050 263 N CA 0.371 53.212 53.050 -0.349 0.000 0.906 263 N CB 0.023 38.322 38.487 -0.314 0.000 0.968 263 N HN 0.540 nan 8.380 nan 0.000 0.445 264 D N 1.331 121.579 120.400 -0.253 0.000 2.371 264 D HA 0.086 4.726 4.640 0.000 0.000 0.256 264 D C -1.271 175.047 176.300 0.029 0.000 1.193 264 D CA -2.056 51.942 54.000 -0.002 0.000 0.881 264 D CB 1.100 42.013 40.800 0.188 0.000 1.143 264 D HN 0.067 nan 8.370 nan 0.000 0.473 265 P HA -0.178 nan 4.420 nan 0.000 0.219 265 P C 0.928 178.241 177.300 0.021 0.000 1.146 265 P CA 1.022 64.123 63.100 0.002 0.000 0.808 265 P CB 0.376 32.072 31.700 -0.008 0.000 0.779 266 E N -0.337 119.884 120.200 0.035 0.000 2.112 266 E HA -0.056 4.294 4.350 0.000 0.000 0.190 266 E C 2.022 178.657 176.600 0.058 0.000 0.979 266 E CA 0.385 56.808 56.400 0.039 0.000 0.814 266 E CB -0.126 29.583 29.700 0.016 0.000 0.762 266 E HN -0.053 nan 8.360 nan 0.000 0.460 267 V N 1.242 121.204 119.914 0.080 0.000 2.358 267 V HA -0.249 3.871 4.120 0.000 0.000 0.246 267 V C 2.311 178.444 176.094 0.065 0.000 1.047 267 V CA 1.285 63.635 62.300 0.083 0.000 1.035 267 V CB -0.339 31.568 31.823 0.141 0.000 0.658 267 V HN 0.337 nan 8.190 nan 0.000 0.452 268 L N -0.084 121.170 121.223 0.052 0.000 2.046 268 L HA -0.185 4.155 4.340 0.000 0.000 0.208 268 L C 2.736 179.590 176.870 -0.027 0.000 1.077 268 L CA 1.665 56.505 54.840 -0.000 0.000 0.747 268 L CB -0.791 41.254 42.059 -0.023 0.000 0.896 268 L HN 0.376 nan 8.230 nan 0.000 0.432 269 A N -0.117 122.705 122.820 0.004 0.000 1.858 269 A HA -0.239 4.081 4.320 0.000 0.000 0.216 269 A C 1.945 179.592 177.584 0.105 0.000 1.190 269 A CA 2.011 54.054 52.037 0.010 0.000 0.617 269 A CB -0.615 18.446 19.000 0.101 0.000 0.827 269 A HN 0.353 nan 8.150 nan 0.000 0.443 270 D N -0.269 120.250 120.400 0.198 0.000 2.218 270 D HA -0.066 4.574 4.640 0.000 0.000 0.204 270 D C 2.208 178.593 176.300 0.142 0.000 0.976 270 D CA 1.336 55.498 54.000 0.270 0.000 0.853 270 D CB -0.235 40.698 40.800 0.221 0.000 0.939 270 D HN 0.361 nan 8.370 nan 0.000 0.481 271 S N -0.384 115.345 115.700 0.048 0.000 2.368 271 S HA -0.127 4.343 4.470 0.000 0.000 0.224 271 S C 2.225 176.782 174.600 -0.072 0.000 1.029 271 S CA 0.587 58.784 58.200 -0.005 0.000 0.988 271 S CB -0.185 63.004 63.200 -0.019 0.000 0.838 271 S HN 0.383 nan 8.310 nan 0.000 0.462 272 C N -0.017 119.193 119.300 -0.150 0.000 2.440 272 C HA -0.059 4.401 4.460 0.000 0.000 0.278 272 C C 2.197 176.962 174.990 -0.375 0.000 1.295 272 C CA 0.073 58.922 59.018 -0.281 0.000 1.738 272 C CB -1.575 25.932 27.740 -0.389 0.000 1.987 272 C HN 0.747 nan 8.230 nan 0.000 0.492 273 W N 0.991 122.128 121.300 -0.272 0.000 2.338 273 W HA -0.137 4.523 4.660 0.000 0.000 0.304 273 W C 2.660 178.632 176.519 -0.912 0.000 1.212 273 W CA 1.185 58.182 57.345 -0.580 0.000 1.264 273 W CB -0.508 28.706 29.460 -0.410 0.000 1.142 273 W HN 0.288 nan 8.180 nan 0.000 0.512 274 A N 0.239 122.949 122.820 -0.184 0.000 1.865 274 A HA -0.223 4.098 4.320 0.000 0.000 0.217 274 A C 1.863 179.422 177.584 -0.043 0.000 1.191 274 A CA 1.835 53.858 52.037 -0.024 0.000 0.623 274 A CB -0.903 18.126 19.000 0.049 0.000 0.826 274 A HN 0.178 nan 8.150 nan 0.000 0.444 275 I N 1.003 121.521 120.570 -0.087 0.000 2.315 275 I HA -0.187 3.983 4.170 0.000 0.000 0.248 275 I C 2.863 178.942 176.117 -0.063 0.000 1.117 275 I CA 1.950 63.215 61.300 -0.058 0.000 1.404 275 I CB -1.357 36.596 38.000 -0.078 0.000 1.071 275 I HN 0.569 nan 8.210 nan 0.000 0.419 276 S N 0.839 116.444 115.700 -0.158 0.000 2.368 276 S HA -0.209 4.261 4.470 0.000 0.000 0.225 276 S C 2.149 176.788 174.600 0.065 0.000 1.030 276 S CA 0.891 59.033 58.200 -0.096 0.000 0.999 276 S CB -0.754 62.330 63.200 -0.194 0.000 0.844 276 S HN 0.303 nan 8.310 nan 0.000 0.459 277 Y N 2.394 122.766 120.300 0.121 0.000 2.036 277 Y HA 0.025 4.575 4.550 0.000 0.000 0.273 277 Y C 2.540 178.475 175.900 0.058 0.000 1.135 277 Y CA 0.511 58.669 58.100 0.096 0.000 1.106 277 Y CB -1.367 37.142 38.460 0.081 0.000 0.976 277 Y HN 0.174 nan 8.280 nan 0.000 0.483 278 L N -0.226 121.125 121.223 0.214 0.000 2.151 278 L HA -0.279 4.061 4.340 0.000 0.000 0.215 278 L C 2.098 179.019 176.870 0.085 0.000 1.084 278 L CA 2.169 57.079 54.840 0.117 0.000 0.764 278 L CB -1.286 40.820 42.059 0.078 0.000 0.891 278 L HN 0.426 nan 8.230 nan 0.000 0.435 279 T N -4.889 109.713 114.554 0.079 0.000 3.129 279 T HA -0.040 4.310 4.350 0.000 0.000 0.251 279 T C 0.656 175.406 174.700 0.083 0.000 1.117 279 T CA -0.032 62.105 62.100 0.060 0.000 1.034 279 T CB -0.249 68.641 68.868 0.037 0.000 0.968 279 T HN 0.081 nan 8.240 nan 0.000 0.526 280 D N 1.411 121.879 120.400 0.113 0.000 2.522 280 D HA 0.538 5.178 4.640 0.000 0.000 0.218 280 D C 0.458 176.808 176.300 0.084 0.000 1.149 280 D CA 0.114 54.185 54.000 0.119 0.000 0.981 280 D CB -0.249 40.644 40.800 0.156 0.000 1.041 280 D HN 0.543 nan 8.370 nan 0.000 0.518 281 G N 2.219 111.059 108.800 0.066 0.000 2.335 281 G HA2 0.240 4.200 3.960 0.000 0.000 0.291 281 G HA3 0.240 4.200 3.960 0.000 0.000 0.291 281 G C -2.768 172.152 174.900 0.033 0.000 1.261 281 G CA -0.940 44.187 45.100 0.045 0.000 0.871 281 G HN 0.203 nan 8.290 nan 0.000 0.491 282 P HA 0.122 nan 4.420 nan 0.000 0.267 282 P C 0.838 178.146 177.300 0.013 0.000 1.195 282 P CA 0.117 63.227 63.100 0.015 0.000 0.773 282 P CB 0.337 32.044 31.700 0.012 0.000 0.837 283 N N 1.002 119.706 118.700 0.007 0.000 2.272 283 N HA -0.212 4.528 4.740 0.000 0.000 0.185 283 N C 1.015 176.527 175.510 0.003 0.000 1.014 283 N CA 0.826 53.877 53.050 0.002 0.000 0.870 283 N CB -0.097 38.387 38.487 -0.004 0.000 0.975 283 N HN 0.534 nan 8.380 nan 0.000 0.433 284 E N 0.725 120.928 120.200 0.005 0.000 2.150 284 E HA -0.068 4.282 4.350 0.000 0.000 0.193 284 E C 1.910 178.515 176.600 0.008 0.000 0.985 284 E CA 0.700 57.103 56.400 0.005 0.000 0.814 284 E CB 0.111 29.814 29.700 0.005 0.000 0.752 284 E HN 0.218 nan 8.360 nan 0.000 0.466 285 R N 0.306 120.813 120.500 0.012 0.000 2.062 285 R HA -0.001 4.340 4.340 0.000 0.000 0.231 285 R C 2.432 178.742 176.300 0.017 0.000 1.136 285 R CA 1.043 57.154 56.100 0.018 0.000 0.948 285 R CB -0.821 29.495 30.300 0.025 0.000 0.845 285 R HN 0.282 nan 8.270 nan 0.000 0.430 286 I N 1.035 121.614 120.570 0.015 0.000 2.248 286 I HA -0.278 3.892 4.170 0.000 0.000 0.248 286 I C 2.435 178.554 176.117 0.003 0.000 1.107 286 I CA 1.342 62.648 61.300 0.010 0.000 1.373 286 I CB -0.297 37.705 38.000 0.003 0.000 1.055 286 I HN 0.139 nan 8.210 nan 0.000 0.418 287 E N 1.772 121.973 120.200 0.002 0.000 2.047 287 E HA -0.227 4.123 4.350 0.000 0.000 0.191 287 E C 2.259 178.861 176.600 0.002 0.000 0.987 287 E CA 1.694 58.094 56.400 -0.001 0.000 0.799 287 E CB -0.326 29.373 29.700 -0.001 0.000 0.752 287 E HN 0.525 nan 8.360 nan 0.000 0.449 288 M N -1.230 118.373 119.600 0.006 0.000 2.358 288 M HA -0.071 4.409 4.480 0.000 0.000 0.264 288 M C 1.752 178.057 176.300 0.009 0.000 1.064 288 M CA 1.186 56.491 55.300 0.008 0.000 1.093 288 M CB -0.231 32.375 32.600 0.010 0.000 1.401 288 M HN -0.043 nan 8.290 nan 0.000 0.440 289 V N 0.417 120.337 119.914 0.008 0.000 2.331 289 V HA -0.110 4.010 4.120 0.000 0.000 0.242 289 V C 2.566 178.662 176.094 0.002 0.000 1.034 289 V CA 1.127 63.431 62.300 0.007 0.000 1.027 289 V CB -0.154 31.673 31.823 0.007 0.000 0.667 289 V HN 0.330 nan 8.190 nan 0.000 0.457 290 V N 0.023 119.936 119.914 -0.002 0.000 2.469 290 V HA -0.275 3.846 4.120 0.000 0.000 0.251 290 V C 2.405 178.497 176.094 -0.002 0.000 1.064 290 V CA 2.054 64.350 62.300 -0.006 0.000 1.066 290 V CB -0.666 31.150 31.823 -0.011 0.000 0.667 290 V HN 0.470 nan 8.190 nan 0.000 0.461 291 K N 0.022 120.422 120.400 0.000 0.000 2.360 291 K HA -0.119 4.201 4.320 0.000 0.000 0.201 291 K C 1.788 178.391 176.600 0.005 0.000 1.046 291 K CA 0.872 57.160 56.287 0.002 0.000 0.945 291 K CB 0.011 32.512 32.500 0.002 0.000 0.750 291 K HN 0.218 nan 8.250 nan 0.000 0.464 292 K N -0.759 119.647 120.400 0.009 0.000 2.444 292 K HA 0.123 4.444 4.320 0.000 0.000 0.193 292 K C 0.560 177.173 176.600 0.021 0.000 1.024 292 K CA 0.746 57.042 56.287 0.015 0.000 1.077 292 K CB 0.365 32.876 32.500 0.019 0.000 0.833 292 K HN 0.305 nan 8.250 nan 0.000 0.517 293 G N 1.987 110.797 108.800 0.015 0.000 2.273 293 G HA2 -0.273 3.687 3.960 0.000 0.000 0.280 293 G HA3 -0.273 3.687 3.960 0.000 0.000 0.280 293 G C 0.797 175.716 174.900 0.032 0.000 1.047 293 G CA 0.575 45.686 45.100 0.019 0.000 0.869 293 G HN 0.256 nan 8.290 nan 0.000 0.502 294 V N -3.162 116.765 119.914 0.023 0.000 2.951 294 V HA 0.053 4.173 4.120 0.000 0.000 0.255 294 V C 2.463 178.550 176.094 -0.011 0.000 1.088 294 V CA 1.571 63.881 62.300 0.017 0.000 1.109 294 V CB -0.291 31.531 31.823 -0.001 0.000 0.724 294 V HN 0.383 nan 8.190 nan 0.000 0.471 295 V N 1.817 121.723 119.914 -0.013 0.000 2.233 295 V HA -0.249 3.871 4.120 0.000 0.000 0.252 295 V C 0.873 176.954 176.094 -0.023 0.000 1.063 295 V CA 3.240 65.526 62.300 -0.023 0.000 1.032 295 V CB -2.287 29.524 31.823 -0.021 0.000 0.645 295 V HN 0.536 nan 8.190 nan 0.000 0.446 296 P HA -0.248 nan 4.420 nan 0.000 0.215 296 P C 1.657 178.947 177.300 -0.016 0.000 1.157 296 P CA 2.143 65.240 63.100 -0.004 0.000 0.874 296 P CB -0.113 31.596 31.700 0.014 0.000 0.790 297 Q N 0.096 119.885 119.800 -0.018 0.000 2.197 297 Q HA -0.134 4.206 4.340 0.000 0.000 0.207 297 Q C 2.274 178.207 176.000 -0.111 0.000 0.984 297 Q CA 1.505 57.259 55.803 -0.082 0.000 0.869 297 Q CB -1.257 27.377 28.738 -0.173 0.000 0.906 297 Q HN 0.248 nan 8.270 nan 0.000 0.426 298 L N -1.338 119.832 121.223 -0.089 0.000 2.044 298 L HA -0.114 4.226 4.340 0.000 0.000 0.205 298 L C 2.246 179.067 176.870 -0.080 0.000 1.075 298 L CA 0.869 55.651 54.840 -0.097 0.000 0.747 298 L CB -0.564 41.444 42.059 -0.085 0.000 0.903 298 L HN 0.075 nan 8.230 nan 0.000 0.435 299 V N 0.473 120.356 119.914 -0.053 0.000 2.380 299 V HA -0.352 3.768 4.120 0.000 0.000 0.251 299 V C 2.565 178.632 176.094 -0.044 0.000 1.063 299 V CA 2.119 64.398 62.300 -0.036 0.000 1.055 299 V CB -0.667 31.147 31.823 -0.015 0.000 0.657 299 V HN 0.472 nan 8.190 nan 0.000 0.455 300 K N 0.191 120.562 120.400 -0.048 0.000 1.984 300 K HA -0.136 4.184 4.320 0.000 0.000 0.209 300 K C 2.122 178.681 176.600 -0.067 0.000 1.046 300 K CA 1.600 57.858 56.287 -0.048 0.000 0.934 300 K CB -0.301 32.174 32.500 -0.042 0.000 0.717 300 K HN 0.385 nan 8.250 nan 0.000 0.438 301 L N 1.287 122.457 121.223 -0.090 0.000 2.261 301 L HA -0.166 4.174 4.340 0.000 0.000 0.216 301 L C 2.325 179.131 176.870 -0.107 0.000 1.114 301 L CA 0.227 55.005 54.840 -0.104 0.000 0.777 301 L CB -0.312 41.669 42.059 -0.130 0.000 0.910 301 L HN 0.284 nan 8.230 nan 0.000 0.440 302 L N -0.259 120.902 121.223 -0.104 0.000 2.362 302 L HA -0.017 4.323 4.340 0.000 0.000 0.219 302 L C 2.005 178.806 176.870 -0.115 0.000 1.134 302 L CA 1.441 56.209 54.840 -0.119 0.000 0.807 302 L CB -0.487 41.507 42.059 -0.109 0.000 0.927 302 L HN 0.095 nan 8.230 nan 0.000 0.447 303 G N -1.328 107.420 108.800 -0.087 0.000 3.088 303 G HA2 0.320 4.280 3.960 0.000 0.000 0.217 303 G HA3 0.320 4.280 3.960 0.000 0.000 0.217 303 G C 0.740 175.599 174.900 -0.068 0.000 1.159 303 G CA 0.277 45.332 45.100 -0.075 0.000 0.760 303 G HN 0.540 nan 8.290 nan 0.000 0.550 304 A N -0.069 122.707 122.820 -0.073 0.000 2.521 304 A HA 0.414 4.734 4.320 0.000 0.000 0.237 304 A C 1.665 179.216 177.584 -0.056 0.000 1.087 304 A CA 0.979 52.978 52.037 -0.063 0.000 0.777 304 A CB 0.267 19.225 19.000 -0.070 0.000 1.035 304 A HN 0.173 nan 8.150 nan 0.000 0.510 305 T N 0.529 115.057 114.554 -0.043 0.000 2.901 305 T HA 0.040 4.390 4.350 0.000 0.000 0.252 305 T C 0.326 175.006 174.700 -0.033 0.000 1.035 305 T CA 1.251 63.330 62.100 -0.035 0.000 1.142 305 T CB -0.313 68.539 68.868 -0.026 0.000 0.869 305 T HN 0.741 nan 8.240 nan 0.000 0.442 306 E N 2.264 122.446 120.200 -0.031 0.000 2.383 306 E HA 0.128 4.478 4.350 0.000 0.000 0.257 306 E C 0.838 177.421 176.600 -0.027 0.000 1.079 306 E CA -0.204 56.182 56.400 -0.023 0.000 0.934 306 E CB 0.394 30.083 29.700 -0.019 0.000 0.978 306 E HN 0.061 nan 8.360 nan 0.000 0.462 307 L N 6.859 128.071 121.223 -0.018 0.000 2.081 307 L HA -0.124 4.216 4.340 0.000 0.000 0.212 307 L C -1.004 175.862 176.870 -0.006 0.000 1.080 307 L CA 1.970 56.800 54.840 -0.017 0.000 0.754 307 L CB -0.776 41.282 42.059 -0.001 0.000 0.893 307 L HN 0.497 nan 8.230 nan 0.000 0.433 308 P HA -0.137 nan 4.420 nan 0.000 0.223 308 P C 1.725 179.032 177.300 0.012 0.000 1.144 308 P CA 1.502 64.639 63.100 0.062 0.000 0.783 308 P CB 0.046 31.787 31.700 0.067 0.000 0.771 309 I N -2.302 118.239 120.570 -0.049 0.000 2.729 309 I HA -0.086 4.084 4.170 0.000 0.000 0.256 309 I C 2.013 178.029 176.117 -0.170 0.000 1.115 309 I CA 0.574 61.807 61.300 -0.112 0.000 1.446 309 I CB -0.406 37.543 38.000 -0.086 0.000 1.176 309 I HN -0.256 nan 8.210 nan 0.000 0.446 310 V N 0.850 120.687 119.914 -0.128 0.000 2.407 310 V HA -0.269 3.852 4.120 0.000 0.000 0.248 310 V C 2.500 178.489 176.094 -0.175 0.000 1.055 310 V CA 2.316 64.529 62.300 -0.144 0.000 1.049 310 V CB -0.922 30.834 31.823 -0.111 0.000 0.662 310 V HN 0.444 nan 8.190 nan 0.000 0.455 311 T N 0.964 115.427 114.554 -0.152 0.000 2.622 311 T HA -0.111 4.239 4.350 0.000 0.000 0.266 311 T C 0.125 174.599 174.700 -0.376 0.000 1.047 311 T CA 2.233 64.239 62.100 -0.157 0.000 1.159 311 T CB -1.267 67.594 68.868 -0.013 0.000 0.863 311 T HN 0.506 nan 8.240 nan 0.000 0.422 312 P HA 0.034 nan 4.420 nan 0.000 0.220 312 P C 1.267 178.172 177.300 -0.658 0.000 1.148 312 P CA 1.224 63.569 63.100 -1.259 0.000 0.803 312 P CB -0.114 30.372 31.700 -2.022 0.000 0.782 313 A N 0.159 122.722 122.820 -0.428 0.000 1.930 313 A HA -0.124 4.196 4.320 0.000 0.000 0.217 313 A C 2.191 179.658 177.584 -0.196 0.000 1.175 313 A CA 1.301 53.174 52.037 -0.274 0.000 0.627 313 A CB -1.550 17.322 19.000 -0.213 0.000 0.815 313 A HN 0.202 nan 8.150 nan 0.000 0.443 314 L N -0.672 120.441 121.223 -0.183 0.000 2.156 314 L HA -0.010 4.331 4.340 0.000 0.000 0.208 314 L C 2.257 179.113 176.870 -0.023 0.000 1.095 314 L CA 1.986 56.762 54.840 -0.107 0.000 0.770 314 L CB -0.495 41.495 42.059 -0.115 0.000 0.914 314 L HN 0.308 nan 8.230 nan 0.000 0.439 315 R N 0.376 120.833 120.500 -0.072 0.000 2.075 315 R HA 0.022 4.362 4.340 0.000 0.000 0.232 315 R C 2.131 178.461 176.300 0.050 0.000 1.126 315 R CA 1.690 57.812 56.100 0.037 0.000 0.963 315 R CB -1.035 29.210 30.300 -0.091 0.000 0.858 315 R HN 0.464 nan 8.270 nan 0.000 0.435 316 A N 0.935 123.711 122.820 -0.073 0.000 1.877 316 A HA -0.082 4.238 4.320 0.000 0.000 0.216 316 A C 2.119 179.686 177.584 -0.028 0.000 1.186 316 A CA 1.502 53.507 52.037 -0.054 0.000 0.620 316 A CB -0.537 18.395 19.000 -0.114 0.000 0.822 316 A HN 0.273 nan 8.150 nan 0.000 0.443 317 I N 0.179 120.724 120.570 -0.042 0.000 2.208 317 I HA -0.217 3.953 4.170 0.000 0.000 0.245 317 I C 2.695 178.774 176.117 -0.064 0.000 1.097 317 I CA 1.632 62.910 61.300 -0.038 0.000 1.363 317 I CB -1.988 36.005 38.000 -0.012 0.000 1.051 317 I HN 0.372 nan 8.210 nan 0.000 0.413 318 G N 1.199 109.972 108.800 -0.045 0.000 2.442 318 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 318 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 318 G C 1.506 176.217 174.900 -0.316 0.000 1.141 318 G CA 0.693 45.634 45.100 -0.265 0.000 0.763 318 G HN 0.349 nan 8.290 nan 0.000 0.554 319 N N 0.766 119.476 118.700 0.018 0.000 2.080 319 N HA -0.021 4.719 4.740 0.000 0.000 0.189 319 N C 2.272 177.766 175.510 -0.027 0.000 1.036 319 N CA 0.744 53.838 53.050 0.073 0.000 0.846 319 N CB -0.420 38.144 38.487 0.128 0.000 1.015 319 N HN 0.326 nan 8.380 nan 0.000 0.423 320 I N 1.227 121.773 120.570 -0.039 0.000 2.236 320 I HA -0.222 3.948 4.170 0.000 0.000 0.249 320 I C 1.757 177.823 176.117 -0.085 0.000 1.102 320 I CA 1.087 62.357 61.300 -0.051 0.000 1.365 320 I CB -0.342 37.629 38.000 -0.049 0.000 1.051 320 I HN 0.028 nan 8.210 nan 0.000 0.420 321 V N -2.031 117.799 119.914 -0.141 0.000 3.630 321 V HA 0.017 4.138 4.120 0.000 0.000 0.273 321 V C 1.775 177.760 176.094 -0.181 0.000 1.248 321 V CA 1.184 63.382 62.300 -0.170 0.000 1.170 321 V CB -1.353 30.335 31.823 -0.225 0.000 0.899 321 V HN 0.534 nan 8.190 nan 0.000 0.457 322 T N -3.118 111.349 114.554 -0.145 0.000 3.086 322 T HA 0.443 4.793 4.350 0.000 0.000 0.250 322 T C 1.012 175.677 174.700 -0.058 0.000 1.074 322 T CA 0.503 62.540 62.100 -0.105 0.000 0.988 322 T CB 0.228 69.073 68.868 -0.037 0.000 0.988 322 T HN 0.650 nan 8.240 nan 0.000 0.530 323 G N 1.760 110.526 108.800 -0.057 0.000 2.695 323 G HA2 0.490 4.450 3.960 0.000 0.000 0.213 323 G HA3 0.490 4.450 3.960 0.000 0.000 0.213 323 G C 0.148 175.022 174.900 -0.042 0.000 1.406 323 G CA -0.106 44.971 45.100 -0.038 0.000 1.049 323 G HN 0.525 nan 8.290 nan 0.000 0.573 324 T N -1.578 112.956 114.554 -0.034 0.000 2.856 324 T HA 0.123 4.473 4.350 0.000 0.000 0.306 324 T C 0.648 175.323 174.700 -0.043 0.000 1.062 324 T CA 0.290 62.370 62.100 -0.033 0.000 1.083 324 T CB 0.894 69.746 68.868 -0.026 0.000 0.984 324 T HN 0.282 nan 8.240 nan 0.000 0.542 325 D N 0.990 121.365 120.400 -0.042 0.000 2.263 325 D HA -0.064 4.576 4.640 0.000 0.000 0.208 325 D C 1.812 178.084 176.300 -0.046 0.000 0.971 325 D CA 1.044 55.015 54.000 -0.049 0.000 0.867 325 D CB -0.005 40.768 40.800 -0.045 0.000 0.929 325 D HN 0.682 nan 8.370 nan 0.000 0.492 326 E N 0.652 120.830 120.200 -0.037 0.000 2.107 326 E HA -0.094 4.256 4.350 0.000 0.000 0.191 326 E C 2.163 178.741 176.600 -0.036 0.000 0.982 326 E CA 0.707 57.087 56.400 -0.033 0.000 0.809 326 E CB -0.147 29.538 29.700 -0.025 0.000 0.756 326 E HN 0.384 nan 8.360 nan 0.000 0.459 327 Q N -0.201 119.577 119.800 -0.037 0.000 2.046 327 Q HA -0.085 4.256 4.340 0.000 0.000 0.200 327 Q C 2.177 178.146 176.000 -0.052 0.000 0.975 327 Q CA 1.703 57.483 55.803 -0.039 0.000 0.836 327 Q CB -0.258 28.459 28.738 -0.036 0.000 0.896 327 Q HN 0.213 nan 8.270 nan 0.000 0.428 328 T N 1.097 115.613 114.554 -0.065 0.000 2.635 328 T HA -0.261 4.089 4.350 0.000 0.000 0.267 328 T C 1.784 176.436 174.700 -0.081 0.000 1.040 328 T CA 1.754 63.803 62.100 -0.085 0.000 1.156 328 T CB -0.330 68.480 68.868 -0.097 0.000 0.863 328 T HN 0.198 nan 8.240 nan 0.000 0.430 329 Q N 1.140 120.900 119.800 -0.067 0.000 2.217 329 Q HA -0.165 4.176 4.340 0.000 0.000 0.209 329 Q C 2.108 178.077 176.000 -0.053 0.000 0.988 329 Q CA 1.564 57.331 55.803 -0.060 0.000 0.878 329 Q CB -0.222 28.488 28.738 -0.046 0.000 0.909 329 Q HN 0.250 nan 8.270 nan 0.000 0.424 330 K N -0.395 119.977 120.400 -0.047 0.000 2.044 330 K HA -0.131 4.189 4.320 0.000 0.000 0.210 330 K C 2.071 178.646 176.600 -0.041 0.000 1.049 330 K CA 1.688 57.952 56.287 -0.038 0.000 0.927 330 K CB -1.079 31.401 32.500 -0.032 0.000 0.713 330 K HN 0.435 nan 8.250 nan 0.000 0.443 331 V N -1.107 118.774 119.914 -0.055 0.000 2.453 331 V HA -0.133 3.987 4.120 0.000 0.000 0.247 331 V C 2.260 178.312 176.094 -0.071 0.000 1.048 331 V CA 1.157 63.423 62.300 -0.057 0.000 1.049 331 V CB -0.695 31.089 31.823 -0.066 0.000 0.672 331 V HN 0.101 nan 8.190 nan 0.000 0.457 332 I N 0.880 121.395 120.570 -0.092 0.000 2.179 332 I HA -0.181 3.989 4.170 0.000 0.000 0.242 332 I C 2.498 178.581 176.117 -0.057 0.000 1.088 332 I CA 2.093 63.329 61.300 -0.107 0.000 1.357 332 I CB -0.638 37.300 38.000 -0.104 0.000 1.051 332 I HN 0.299 nan 8.210 nan 0.000 0.409 333 D N 1.183 121.560 120.400 -0.038 0.000 2.144 333 D HA -0.104 4.536 4.640 0.000 0.000 0.200 333 D C 2.269 178.563 176.300 -0.010 0.000 0.978 333 D CA 1.427 55.417 54.000 -0.017 0.000 0.833 333 D CB -0.124 40.666 40.800 -0.016 0.000 0.961 333 D HN 0.323 nan 8.370 nan 0.000 0.470 334 A N 0.088 122.898 122.820 -0.018 0.000 2.024 334 A HA 0.077 4.397 4.320 0.000 0.000 0.220 334 A C 1.964 179.546 177.584 -0.002 0.000 1.164 334 A CA 2.316 54.346 52.037 -0.010 0.000 0.643 334 A CB -0.329 18.662 19.000 -0.016 0.000 0.806 334 A HN 0.371 nan 8.150 nan 0.000 0.451 335 G N -3.196 105.600 108.800 -0.006 0.000 2.205 335 G HA2 0.112 4.073 3.960 0.000 0.000 0.180 335 G HA3 0.112 4.073 3.960 0.000 0.000 0.180 335 G C 1.234 176.135 174.900 0.002 0.000 1.004 335 G CA 1.018 46.125 45.100 0.012 0.000 0.670 335 G HN 1.360 nan 8.290 nan 0.000 0.496 336 A N 1.103 123.918 122.820 -0.008 0.000 1.879 336 A HA -0.149 4.171 4.320 0.000 0.000 0.222 336 A C 2.451 180.078 177.584 0.071 0.000 1.368 336 A CA 2.321 54.391 52.037 0.054 0.000 0.707 336 A CB -0.939 18.078 19.000 0.028 0.000 0.846 336 A HN 1.107 nan 8.150 nan 0.000 0.468 337 L N -1.296 119.801 121.223 -0.209 0.000 2.198 337 L HA -0.354 3.986 4.340 0.000 0.000 0.218 337 L C 2.868 179.636 176.870 -0.171 0.000 1.084 337 L CA 1.390 55.965 54.840 -0.443 0.000 0.779 337 L CB -0.638 40.848 42.059 -0.955 0.000 0.890 337 L HN 0.581 nan 8.230 nan 0.000 0.439 338 A N -1.107 121.699 122.820 -0.024 0.000 2.119 338 A HA -0.017 4.303 4.320 0.000 0.000 0.217 338 A C 2.049 179.692 177.584 0.099 0.000 1.153 338 A CA 0.998 53.120 52.037 0.142 0.000 0.692 338 A CB -0.238 18.856 19.000 0.157 0.000 0.799 338 A HN 0.268 nan 8.150 nan 0.000 0.458 339 V N -1.543 118.441 119.914 0.117 0.000 3.608 339 V HA 0.006 4.126 4.120 0.000 0.000 0.269 339 V C 1.665 177.706 176.094 -0.089 0.000 1.245 339 V CA 0.556 62.860 62.300 0.007 0.000 1.138 339 V CB -0.873 30.921 31.823 -0.048 0.000 0.841 339 V HN 0.532 nan 8.190 nan 0.000 0.451 340 F N 0.616 120.461 119.950 -0.176 0.000 2.325 340 F HA 0.060 4.587 4.527 0.000 0.000 0.299 340 F C -0.110 175.438 175.800 -0.419 0.000 1.090 340 F CA 0.521 58.383 58.000 -0.228 0.000 1.392 340 F CB -1.770 37.116 39.000 -0.190 0.000 1.053 340 F HN 0.294 nan 8.300 nan 0.000 0.521 341 P HA -0.163 nan 4.420 nan 0.000 0.218 341 P C 1.934 178.871 177.300 -0.605 0.000 1.148 341 P CA 1.785 64.199 63.100 -1.143 0.000 0.822 341 P CB 0.050 31.377 31.700 -0.621 0.000 0.784 342 S N -1.427 114.097 115.700 -0.294 0.000 2.362 342 S HA -0.002 4.468 4.470 0.000 0.000 0.221 342 S C 1.725 176.220 174.600 -0.175 0.000 1.032 342 S CA 0.676 58.776 58.200 -0.167 0.000 0.973 342 S CB -0.927 62.200 63.200 -0.122 0.000 0.849 342 S HN -0.032 nan 8.310 nan 0.000 0.465 343 L N 1.144 122.212 121.223 -0.260 0.000 2.083 343 L HA -0.022 4.318 4.340 0.000 0.000 0.209 343 L C 1.950 178.713 176.870 -0.179 0.000 1.083 343 L CA 0.966 55.634 54.840 -0.286 0.000 0.752 343 L CB -0.420 41.293 42.059 -0.576 0.000 0.899 343 L HN 0.312 nan 8.230 nan 0.000 0.433 344 L N -0.632 120.501 121.223 -0.151 0.000 2.599 344 L HA -0.024 4.317 4.340 0.000 0.000 0.230 344 L C 1.437 178.344 176.870 0.062 0.000 1.141 344 L CA 0.772 55.606 54.840 -0.010 0.000 0.877 344 L CB -0.410 41.677 42.059 0.047 0.000 1.009 344 L HN 0.381 nan 8.230 nan 0.000 0.447 345 T N -5.820 108.750 114.554 0.026 0.000 3.170 345 T HA 0.116 4.466 4.350 0.000 0.000 0.288 345 T C 0.413 175.132 174.700 0.032 0.000 0.992 345 T CA -0.505 61.644 62.100 0.082 0.000 0.909 345 T CB -0.353 68.603 68.868 0.147 0.000 1.133 345 T HN 0.023 nan 8.240 nan 0.000 0.530 346 N N 2.879 121.575 118.700 -0.007 0.000 2.412 346 N HA 0.161 4.901 4.740 0.000 0.000 0.254 346 N C -1.665 173.846 175.510 0.003 0.000 1.232 346 N CA -1.264 51.776 53.050 -0.018 0.000 0.880 346 N CB 0.996 39.455 38.487 -0.046 0.000 1.076 346 N HN -0.071 nan 8.380 nan 0.000 0.458 347 P HA -0.127 nan 4.420 nan 0.000 0.218 347 P C -0.610 176.697 177.300 0.012 0.000 1.149 347 P CA 1.173 64.280 63.100 0.011 0.000 0.817 347 P CB 0.205 31.910 31.700 0.008 0.000 0.785 348 K N 0.470 120.873 120.400 0.006 0.000 2.310 348 K HA 0.092 4.412 4.320 0.000 0.000 0.290 348 K C 1.247 177.855 176.600 0.013 0.000 1.077 348 K CA 0.132 56.425 56.287 0.010 0.000 0.922 348 K CB -0.250 32.253 32.500 0.005 0.000 1.057 348 K HN -0.008 nan 8.250 nan 0.000 0.479 349 T N 1.893 116.460 114.554 0.022 0.000 2.685 349 T HA -0.231 4.119 4.350 0.000 0.000 0.268 349 T C 1.323 176.039 174.700 0.026 0.000 1.034 349 T CA 1.676 63.793 62.100 0.027 0.000 1.149 349 T CB -0.366 68.522 68.868 0.034 0.000 0.860 349 T HN 0.630 nan 8.240 nan 0.000 0.449 350 N N 1.180 119.895 118.700 0.024 0.000 2.223 350 N HA -0.038 4.702 4.740 0.000 0.000 0.185 350 N C 1.891 177.413 175.510 0.021 0.000 1.016 350 N CA 1.368 54.432 53.050 0.024 0.000 0.863 350 N CB -0.269 38.236 38.487 0.029 0.000 0.983 350 N HN 0.394 nan 8.380 nan 0.000 0.429 351 I N 1.877 122.451 120.570 0.006 0.000 2.315 351 I HA -0.191 3.979 4.170 0.000 0.000 0.248 351 I C 2.310 178.417 176.117 -0.016 0.000 1.117 351 I CA 1.074 62.363 61.300 -0.019 0.000 1.404 351 I CB -0.898 37.075 38.000 -0.045 0.000 1.071 351 I HN 0.206 nan 8.210 nan 0.000 0.419 352 Q N 0.397 120.199 119.800 0.004 0.000 2.020 352 Q HA -0.215 4.125 4.340 0.000 0.000 0.198 352 Q C 2.287 178.324 176.000 0.061 0.000 0.974 352 Q CA 1.303 57.120 55.803 0.023 0.000 0.829 352 Q CB -0.119 28.639 28.738 0.034 0.000 0.894 352 Q HN 0.385 nan 8.270 nan 0.000 0.433 353 K N 0.927 121.362 120.400 0.058 0.000 2.059 353 K HA -0.222 4.098 4.320 0.000 0.000 0.212 353 K C 1.771 178.452 176.600 0.135 0.000 1.050 353 K CA 1.573 57.904 56.287 0.072 0.000 0.927 353 K CB 0.068 32.587 32.500 0.032 0.000 0.714 353 K HN 0.196 nan 8.250 nan 0.000 0.447 354 E N -0.582 119.697 120.200 0.131 0.000 2.208 354 E HA -0.121 4.229 4.350 0.000 0.000 0.193 354 E C 1.838 178.635 176.600 0.328 0.000 0.988 354 E CA 0.762 57.325 56.400 0.272 0.000 0.828 354 E CB 0.081 29.890 29.700 0.181 0.000 0.763 354 E HN 0.415 nan 8.360 nan 0.000 0.478 355 A N 0.914 123.828 122.820 0.156 0.000 1.930 355 A HA -0.082 4.238 4.320 0.000 0.000 0.215 355 A C 2.331 180.081 177.584 0.277 0.000 1.176 355 A CA 1.320 53.426 52.037 0.114 0.000 0.632 355 A CB -0.451 18.483 19.000 -0.109 0.000 0.819 355 A HN 0.113 nan 8.150 nan 0.000 0.445 356 T N -1.428 113.262 114.554 0.227 0.000 2.812 356 T HA -0.150 4.200 4.350 0.000 0.000 0.264 356 T C 1.502 176.350 174.700 0.247 0.000 1.042 356 T CA 1.336 63.566 62.100 0.217 0.000 1.140 356 T CB -0.337 68.632 68.868 0.168 0.000 0.870 356 T HN 0.779 nan 8.240 nan 0.000 0.445 357 W N 2.361 123.706 121.300 0.075 0.000 2.335 357 W HA -0.185 4.476 4.660 0.000 0.000 0.311 357 W C 2.047 178.597 176.519 0.051 0.000 1.213 357 W CA 1.602 58.974 57.345 0.045 0.000 1.274 357 W CB -1.033 28.436 29.460 0.016 0.000 1.148 357 W HN 0.083 nan 8.180 nan 0.000 0.498 358 T N 1.594 116.097 114.554 -0.085 0.000 2.720 358 T HA -0.246 4.104 4.350 0.000 0.000 0.268 358 T C 1.868 176.448 174.700 -0.199 0.000 1.037 358 T CA 2.077 63.986 62.100 -0.319 0.000 1.144 358 T CB -0.405 68.490 68.868 0.044 0.000 0.864 358 T HN 0.056 nan 8.240 nan 0.000 0.444 359 M N 1.846 121.433 119.600 -0.022 0.000 2.117 359 M HA -0.064 4.416 4.480 0.000 0.000 0.262 359 M C 2.762 179.028 176.300 -0.056 0.000 1.065 359 M CA 1.580 56.835 55.300 -0.075 0.000 1.114 359 M CB -1.580 31.042 32.600 0.038 0.000 1.361 359 M HN 0.433 nan 8.290 nan 0.000 0.408 360 S N 0.350 116.044 115.700 -0.009 0.000 2.399 360 S HA -0.108 4.363 4.470 0.000 0.000 0.231 360 S C 1.547 176.116 174.600 -0.052 0.000 1.022 360 S CA 1.202 59.425 58.200 0.037 0.000 0.983 360 S CB -0.522 62.756 63.200 0.130 0.000 0.803 360 S HN 0.451 nan 8.310 nan 0.000 0.480 361 N N 1.069 119.652 118.700 -0.196 0.000 2.467 361 N HA 0.260 5.000 4.740 0.000 0.000 0.184 361 N C 1.350 176.757 175.510 -0.173 0.000 1.106 361 N CA 0.657 53.573 53.050 -0.224 0.000 0.892 361 N CB -0.134 38.119 38.487 -0.390 0.000 0.969 361 N HN 0.540 nan 8.380 nan 0.000 0.454 362 I N 0.073 120.547 120.570 -0.160 0.000 3.081 362 I HA -0.080 4.090 4.170 0.000 0.000 0.274 362 I C 1.796 177.862 176.117 -0.085 0.000 1.178 362 I CA 0.748 61.959 61.300 -0.149 0.000 1.460 362 I CB -0.047 37.827 38.000 -0.210 0.000 1.137 362 I HN 0.052 nan 8.210 nan 0.000 0.443 363 T N -1.192 113.344 114.554 -0.029 0.000 3.160 363 T HA 0.154 4.504 4.350 0.000 0.000 0.257 363 T C 1.421 176.133 174.700 0.019 0.000 1.147 363 T CA 0.655 62.779 62.100 0.039 0.000 1.064 363 T CB 0.020 68.994 68.868 0.177 0.000 0.949 363 T HN 0.257 nan 8.240 nan 0.000 0.526 364 A N 0.429 123.244 122.820 -0.007 0.000 2.345 364 A HA 0.717 5.037 4.320 0.000 0.000 0.225 364 A C 1.400 178.964 177.584 -0.032 0.000 1.243 364 A CA 0.021 52.057 52.037 -0.002 0.000 0.875 364 A CB -0.412 18.588 19.000 0.000 0.000 0.929 364 A HN 0.587 nan 8.150 nan 0.000 0.502 365 G N -0.250 108.517 108.800 -0.055 0.000 2.882 365 G HA2 0.424 4.384 3.960 0.000 0.000 0.164 365 G HA3 0.424 4.384 3.960 0.000 0.000 0.164 365 G C 0.128 174.988 174.900 -0.065 0.000 1.429 365 G CA -0.899 44.164 45.100 -0.062 0.000 1.059 365 G HN 0.436 nan 8.290 nan 0.000 0.581 366 R N -0.108 120.351 120.500 -0.067 0.000 2.707 366 R HA 0.135 4.476 4.340 0.000 0.000 0.270 366 R C 1.573 177.819 176.300 -0.089 0.000 1.083 366 R CA -0.105 55.954 56.100 -0.068 0.000 1.182 366 R CB 0.582 30.847 30.300 -0.058 0.000 1.084 366 R HN 0.546 nan 8.270 nan 0.000 0.528 367 Q N 1.005 120.751 119.800 -0.090 0.000 2.172 367 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 367 Q C 1.234 177.173 176.000 -0.102 0.000 0.964 367 Q CA 1.465 57.199 55.803 -0.116 0.000 0.855 367 Q CB 0.062 28.741 28.738 -0.100 0.000 0.918 367 Q HN 0.682 nan 8.270 nan 0.000 0.444 368 D N 0.418 120.773 120.400 -0.075 0.000 2.269 368 D HA -0.176 4.464 4.640 0.000 0.000 0.208 368 D C 1.510 177.774 176.300 -0.060 0.000 0.963 368 D CA 0.798 54.762 54.000 -0.061 0.000 0.864 368 D CB -0.077 40.695 40.800 -0.047 0.000 0.936 368 D HN 0.322 nan 8.370 nan 0.000 0.505 369 Q N 0.032 119.789 119.800 -0.071 0.000 2.212 369 Q HA 0.128 4.468 4.340 0.000 0.000 0.199 369 Q C 2.556 178.508 176.000 -0.080 0.000 0.950 369 Q CA 0.269 56.027 55.803 -0.074 0.000 0.863 369 Q CB 0.380 29.070 28.738 -0.081 0.000 0.944 369 Q HN 0.339 nan 8.270 nan 0.000 0.465 370 I N 0.742 121.249 120.570 -0.106 0.000 2.394 370 I HA -0.239 3.931 4.170 0.000 0.000 0.251 370 I C 2.426 178.498 176.117 -0.076 0.000 1.136 370 I CA 0.778 61.998 61.300 -0.134 0.000 1.425 370 I CB -0.083 37.729 38.000 -0.313 0.000 1.079 370 I HN 0.245 nan 8.210 nan 0.000 0.425 371 Q N 0.520 120.274 119.800 -0.077 0.000 2.084 371 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 371 Q C 2.213 178.212 176.000 -0.002 0.000 0.978 371 Q CA 1.433 57.206 55.803 -0.050 0.000 0.844 371 Q CB -0.255 28.448 28.738 -0.058 0.000 0.898 371 Q HN 0.528 nan 8.270 nan 0.000 0.426 372 Q N -0.251 119.555 119.800 0.010 0.000 2.135 372 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 372 Q C 2.224 178.314 176.000 0.151 0.000 0.981 372 Q CA 1.230 57.083 55.803 0.083 0.000 0.856 372 Q CB -0.350 28.398 28.738 0.017 0.000 0.902 372 Q HN 0.237 nan 8.270 nan 0.000 0.425 373 V N 0.235 120.179 119.914 0.049 0.000 2.358 373 V HA -0.190 3.931 4.120 0.000 0.000 0.246 373 V C 2.459 178.649 176.094 0.160 0.000 1.047 373 V CA 1.194 63.531 62.300 0.061 0.000 1.035 373 V CB -0.501 31.357 31.823 0.060 0.000 0.658 373 V HN 0.098 nan 8.190 nan 0.000 0.452 374 V N 0.553 120.552 119.914 0.141 0.000 2.295 374 V HA -0.288 3.833 4.120 0.000 0.000 0.246 374 V C 2.064 178.175 176.094 0.028 0.000 1.049 374 V CA 2.520 64.878 62.300 0.098 0.000 1.024 374 V CB -0.964 30.828 31.823 -0.053 0.000 0.648 374 V HN 0.632 nan 8.190 nan 0.000 0.447 375 N N -0.891 117.816 118.700 0.011 0.000 2.348 375 N HA -0.188 4.552 4.740 0.000 0.000 0.185 375 N C 1.441 176.919 175.510 -0.055 0.000 1.019 375 N CA 0.971 53.996 53.050 -0.041 0.000 0.880 375 N CB -0.134 38.316 38.487 -0.062 0.000 0.965 375 N HN 0.597 nan 8.380 nan 0.000 0.437 376 H N -0.865 118.224 119.070 0.031 0.000 2.539 376 H HA 0.216 4.772 4.556 0.000 0.000 0.267 376 H C 1.099 176.506 175.328 0.131 0.000 0.982 376 H CA 0.456 56.540 56.048 0.060 0.000 1.146 376 H CB 0.243 30.025 29.762 0.033 0.000 1.382 376 H HN 0.187 nan 8.280 nan 0.000 0.577 377 G N 0.908 109.847 108.800 0.231 0.000 2.273 377 G HA2 -0.284 3.676 3.960 0.000 0.000 0.280 377 G HA3 -0.284 3.676 3.960 0.000 0.000 0.280 377 G C 0.793 175.928 174.900 0.393 0.000 1.047 377 G CA 0.569 45.833 45.100 0.274 0.000 0.869 377 G HN 0.458 nan 8.290 nan 0.000 0.502 378 L N -0.823 120.619 121.223 0.365 0.000 2.477 378 L HA 0.071 4.411 4.340 0.000 0.000 0.220 378 L C 2.745 179.803 176.870 0.314 0.000 1.106 378 L CA 0.331 55.415 54.840 0.408 0.000 0.851 378 L CB -0.178 42.008 42.059 0.213 0.000 0.994 378 L HN 0.248 nan 8.230 nan 0.000 0.462 379 V N 1.068 121.133 119.914 0.252 0.000 2.332 379 V HA -0.171 3.949 4.120 0.000 0.000 0.248 379 V C -0.142 175.966 176.094 0.023 0.000 1.055 379 V CA 2.082 64.455 62.300 0.121 0.000 1.038 379 V CB -1.241 30.687 31.823 0.176 0.000 0.651 379 V HN 0.319 nan 8.190 nan 0.000 0.450 380 P HA -0.120 nan 4.420 nan 0.000 0.216 380 P C 1.546 178.737 177.300 -0.183 0.000 1.150 380 P CA 1.434 64.447 63.100 -0.146 0.000 0.837 380 P CB -0.100 31.474 31.700 -0.210 0.000 0.786 381 F N -1.145 118.825 119.950 0.034 0.000 2.186 381 F HA -0.108 4.419 4.527 0.000 0.000 0.299 381 F C 2.191 178.008 175.800 0.029 0.000 1.090 381 F CA 1.223 59.248 58.000 0.042 0.000 1.307 381 F CB -1.210 37.835 39.000 0.076 0.000 1.019 381 F HN -0.187 nan 8.300 nan 0.000 0.489 382 L N -1.066 120.268 121.223 0.184 0.000 2.056 382 L HA -0.197 4.143 4.340 0.000 0.000 0.207 382 L C 2.380 179.263 176.870 0.023 0.000 1.078 382 L CA 0.634 55.530 54.840 0.094 0.000 0.749 382 L CB -0.860 41.225 42.059 0.043 0.000 0.901 382 L HN -0.061 nan 8.230 nan 0.000 0.433 383 V N 0.392 120.289 119.914 -0.028 0.000 2.332 383 V HA -0.262 3.858 4.120 0.000 0.000 0.248 383 V C 2.626 178.697 176.094 -0.038 0.000 1.055 383 V CA 2.145 64.407 62.300 -0.064 0.000 1.038 383 V CB -1.274 30.484 31.823 -0.108 0.000 0.651 383 V HN 0.590 nan 8.190 nan 0.000 0.450 384 G N -0.728 108.054 108.800 -0.030 0.000 2.421 384 G HA2 -0.220 3.741 3.960 0.000 0.000 0.216 384 G HA3 -0.220 3.741 3.960 0.000 0.000 0.216 384 G C 1.720 176.638 174.900 0.030 0.000 1.171 384 G CA 1.146 46.240 45.100 -0.010 0.000 0.775 384 G HN 0.365 nan 8.290 nan 0.000 0.543 385 V N 0.360 120.312 119.914 0.064 0.000 2.407 385 V HA -0.088 4.032 4.120 0.000 0.000 0.248 385 V C 2.716 178.829 176.094 0.032 0.000 1.055 385 V CA 1.519 63.857 62.300 0.064 0.000 1.049 385 V CB -0.176 31.701 31.823 0.090 0.000 0.662 385 V HN 0.326 nan 8.190 nan 0.000 0.455 386 L N -0.531 120.700 121.223 0.015 0.000 2.275 386 L HA -0.075 4.265 4.340 0.000 0.000 0.215 386 L C 2.363 179.232 176.870 -0.001 0.000 1.119 386 L CA 1.824 56.661 54.840 -0.006 0.000 0.790 386 L CB -0.348 41.694 42.059 -0.027 0.000 0.919 386 L HN 0.290 nan 8.230 nan 0.000 0.443 387 S N -1.100 114.601 115.700 0.002 0.000 2.356 387 S HA -0.000 4.470 4.470 0.000 0.000 0.219 387 S C 0.815 175.427 174.600 0.020 0.000 1.036 387 S CA 0.573 58.776 58.200 0.004 0.000 0.965 387 S CB 0.040 63.234 63.200 -0.009 0.000 0.864 387 S HN 0.371 nan 8.310 nan 0.000 0.471 388 K N 0.413 120.829 120.400 0.026 0.000 2.578 388 K HA 0.651 4.971 4.320 0.000 0.000 0.250 388 K C -1.317 175.310 176.600 0.045 0.000 0.955 388 K CA -0.400 55.909 56.287 0.037 0.000 0.825 388 K CB 1.562 34.079 32.500 0.029 0.000 1.151 388 K HN 0.258 nan 8.250 nan 0.000 0.432 389 A N 2.883 125.736 122.820 0.055 0.000 2.410 389 A HA 0.254 4.574 4.320 0.000 0.000 0.300 389 A C -1.808 175.820 177.584 0.075 0.000 1.077 389 A CA -0.794 51.278 52.037 0.058 0.000 0.610 389 A CB 0.555 19.585 19.000 0.050 0.000 1.371 389 A HN 0.836 nan 8.150 nan 0.000 0.510 390 D N -0.837 119.605 120.400 0.071 0.000 2.400 390 D HA 0.313 4.953 4.640 0.000 0.000 0.238 390 D C 0.907 177.280 176.300 0.121 0.000 1.157 390 D CA 0.213 54.270 54.000 0.096 0.000 0.889 390 D CB 0.211 41.056 40.800 0.075 0.000 1.199 390 D HN 0.463 nan 8.370 nan 0.000 0.436 391 F N 2.547 122.518 119.950 0.034 0.000 2.095 391 F HA -0.114 4.413 4.527 0.000 0.000 0.298 391 F C 1.904 177.734 175.800 0.051 0.000 1.104 391 F CA 1.579 59.601 58.000 0.037 0.000 1.232 391 F CB -0.068 38.951 39.000 0.031 0.000 0.987 391 F HN 0.410 nan 8.300 nan 0.000 0.475 392 K N -0.710 119.680 120.400 -0.016 0.000 2.103 392 K HA -0.161 4.160 4.320 0.000 0.000 0.207 392 K C 1.912 178.454 176.600 -0.097 0.000 1.048 392 K CA 1.929 58.165 56.287 -0.086 0.000 0.930 392 K CB -0.601 31.917 32.500 0.031 0.000 0.716 392 K HN 0.289 nan 8.250 nan 0.000 0.444 393 T N 1.496 116.024 114.554 -0.043 0.000 2.821 393 T HA -0.126 4.224 4.350 0.000 0.000 0.267 393 T C 1.771 176.449 174.700 -0.036 0.000 1.046 393 T CA 1.094 63.193 62.100 -0.002 0.000 1.139 393 T CB -0.067 68.819 68.868 0.030 0.000 0.871 393 T HN 0.303 nan 8.240 nan 0.000 0.454 394 Q N 0.450 120.178 119.800 -0.120 0.000 2.224 394 Q HA -0.009 4.332 4.340 0.000 0.000 0.203 394 Q C 2.260 178.126 176.000 -0.223 0.000 0.970 394 Q CA 0.922 56.636 55.803 -0.148 0.000 0.865 394 Q CB -0.081 28.567 28.738 -0.150 0.000 0.922 394 Q HN 0.399 nan 8.270 nan 0.000 0.445 395 K N 0.518 120.706 120.400 -0.355 0.000 2.103 395 K HA -0.119 4.201 4.320 0.000 0.000 0.204 395 K C 1.854 178.500 176.600 0.077 0.000 1.052 395 K CA 0.818 56.952 56.287 -0.254 0.000 0.945 395 K CB 0.333 32.643 32.500 -0.316 0.000 0.722 395 K HN 0.017 nan 8.250 nan 0.000 0.443 396 E N 0.239 120.513 120.200 0.124 0.000 2.106 396 E HA -0.135 4.215 4.350 0.000 0.000 0.192 396 E C 1.866 178.598 176.600 0.220 0.000 0.984 396 E CA 1.073 57.633 56.400 0.265 0.000 0.806 396 E CB -0.126 29.705 29.700 0.218 0.000 0.750 396 E HN 0.375 nan 8.360 nan 0.000 0.458 397 A N 1.552 124.434 122.820 0.103 0.000 1.873 397 A HA -0.080 4.240 4.320 0.000 0.000 0.215 397 A C 2.456 180.068 177.584 0.046 0.000 1.186 397 A CA 2.017 54.097 52.037 0.071 0.000 0.616 397 A CB -0.679 18.337 19.000 0.026 0.000 0.823 397 A HN 0.262 nan 8.150 nan 0.000 0.442 398 A N -1.127 121.682 122.820 -0.018 0.000 1.903 398 A HA -0.240 4.080 4.320 0.000 0.000 0.219 398 A C 2.011 179.539 177.584 -0.093 0.000 1.191 398 A CA 1.653 53.624 52.037 -0.110 0.000 0.638 398 A CB -1.046 17.821 19.000 -0.221 0.000 0.823 398 A HN 0.760 nan 8.150 nan 0.000 0.451 399 W N -0.587 120.717 121.300 0.007 0.000 2.354 399 W HA -0.039 4.621 4.660 0.000 0.000 0.315 399 W C 2.883 179.425 176.519 0.038 0.000 1.206 399 W CA 1.555 58.919 57.345 0.031 0.000 1.290 399 W CB -0.452 29.041 29.460 0.055 0.000 1.152 399 W HN 0.408 nan 8.180 nan 0.000 0.489 400 A N 0.503 123.491 122.820 0.280 0.000 1.884 400 A HA -0.276 4.044 4.320 0.000 0.000 0.219 400 A C 1.844 179.517 177.584 0.149 0.000 1.197 400 A CA 2.383 54.529 52.037 0.181 0.000 0.637 400 A CB -1.033 18.044 19.000 0.129 0.000 0.827 400 A HN 0.210 nan 8.150 nan 0.000 0.450 401 I N -0.751 119.861 120.570 0.070 0.000 2.226 401 I HA -0.160 4.010 4.170 0.000 0.000 0.245 401 I C 2.598 178.750 176.117 0.058 0.000 1.100 401 I CA 2.104 63.404 61.300 -0.002 0.000 1.374 401 I CB -2.014 35.944 38.000 -0.070 0.000 1.057 401 I HN 0.337 nan 8.210 nan 0.000 0.413 402 T N 1.223 115.806 114.554 0.048 0.000 2.821 402 T HA -0.107 4.243 4.350 0.000 0.000 0.267 402 T C 1.727 176.507 174.700 0.133 0.000 1.046 402 T CA 1.388 63.512 62.100 0.040 0.000 1.139 402 T CB -0.078 68.740 68.868 -0.084 0.000 0.871 402 T HN 0.254 nan 8.240 nan 0.000 0.454 403 N N 0.157 118.979 118.700 0.202 0.000 2.142 403 N HA -0.058 4.683 4.740 0.000 0.000 0.186 403 N C 1.493 177.107 175.510 0.173 0.000 1.023 403 N CA 0.986 54.152 53.050 0.193 0.000 0.852 403 N CB -0.622 37.979 38.487 0.191 0.000 0.998 403 N HN 0.491 nan 8.380 nan 0.000 0.424 404 Y N 2.251 122.579 120.300 0.047 0.000 2.070 404 Y HA -0.232 4.318 4.550 0.000 0.000 0.280 404 Y C 2.496 178.409 175.900 0.022 0.000 1.148 404 Y CA 2.330 60.447 58.100 0.029 0.000 1.125 404 Y CB -1.030 37.449 38.460 0.031 0.000 0.975 404 Y HN 0.175 nan 8.280 nan 0.000 0.492 405 T N -2.692 112.090 114.554 0.381 0.000 3.077 405 T HA -0.133 4.217 4.350 0.000 0.000 0.269 405 T C 2.050 176.815 174.700 0.108 0.000 1.146 405 T CA 1.149 63.387 62.100 0.229 0.000 1.091 405 T CB -0.650 68.298 68.868 0.132 0.000 0.892 405 T HN 0.346 nan 8.240 nan 0.000 0.533 406 S N 0.684 116.442 115.700 0.095 0.000 2.371 406 S HA 0.261 4.731 4.470 0.000 0.000 0.221 406 S C 1.996 176.611 174.600 0.025 0.000 1.036 406 S CA 0.802 59.039 58.200 0.062 0.000 0.965 406 S CB -0.608 62.640 63.200 0.080 0.000 0.845 406 S HN 0.712 nan 8.310 nan 0.000 0.475 407 G N -0.018 108.777 108.800 -0.008 0.000 3.377 407 G HA2 0.481 4.441 3.960 0.000 0.000 0.257 407 G HA3 0.481 4.441 3.960 0.000 0.000 0.257 407 G C 0.407 175.246 174.900 -0.102 0.000 1.038 407 G CA 0.205 45.278 45.100 -0.044 0.000 0.809 407 G HN 0.608 nan 8.290 nan 0.000 0.526 408 G N 0.616 109.325 108.800 -0.152 0.000 2.539 408 G HA2 0.431 4.392 3.960 0.000 0.000 0.258 408 G HA3 0.431 4.392 3.960 0.000 0.000 0.258 408 G C 0.586 175.416 174.900 -0.117 0.000 1.202 408 G CA 0.428 45.382 45.100 -0.243 0.000 0.851 408 G HN 0.371 nan 8.290 nan 0.000 0.556 409 T N -1.431 113.056 114.554 -0.111 0.000 2.813 409 T HA 0.117 4.467 4.350 0.000 0.000 0.297 409 T C 1.599 176.287 174.700 -0.020 0.000 1.036 409 T CA -0.193 61.875 62.100 -0.053 0.000 1.044 409 T CB 1.189 70.028 68.868 -0.049 0.000 0.993 409 T HN 0.180 nan 8.240 nan 0.000 0.535 410 V N 1.324 121.235 119.914 -0.006 0.000 2.255 410 V HA -0.149 3.971 4.120 0.000 0.000 0.247 410 V C 2.863 178.966 176.094 0.015 0.000 1.051 410 V CA 2.466 64.770 62.300 0.006 0.000 1.018 410 V CB -1.132 30.694 31.823 0.005 0.000 0.641 410 V HN 1.099 nan 8.190 nan 0.000 0.445 411 E N -0.361 119.848 120.200 0.014 0.000 2.114 411 E HA -0.334 4.016 4.350 0.000 0.000 0.199 411 E C 2.252 178.895 176.600 0.072 0.000 1.008 411 E CA 2.066 58.484 56.400 0.031 0.000 0.810 411 E CB -0.099 29.611 29.700 0.018 0.000 0.739 411 E HN 0.700 nan 8.360 nan 0.000 0.456 412 Q N -0.185 119.655 119.800 0.067 0.000 2.083 412 Q HA -0.076 4.264 4.340 0.000 0.000 0.198 412 Q C 2.316 178.506 176.000 0.316 0.000 0.969 412 Q CA 1.307 57.207 55.803 0.161 0.000 0.838 412 Q CB 0.006 28.737 28.738 -0.013 0.000 0.900 412 Q HN 0.417 nan 8.270 nan 0.000 0.436 413 I N 0.157 120.851 120.570 0.207 0.000 2.756 413 I HA -0.202 3.968 4.170 0.000 0.000 0.262 413 I C 1.916 178.064 176.117 0.051 0.000 1.225 413 I CA 0.442 61.869 61.300 0.212 0.000 1.472 413 I CB -0.074 37.990 38.000 0.106 0.000 1.094 413 I HN 0.047 nan 8.210 nan 0.000 0.454 414 V N 0.282 120.201 119.914 0.008 0.000 2.283 414 V HA -0.297 3.823 4.120 0.000 0.000 0.243 414 V C 2.290 178.253 176.094 -0.219 0.000 1.039 414 V CA 1.762 63.959 62.300 -0.172 0.000 1.016 414 V CB -0.749 30.989 31.823 -0.142 0.000 0.650 414 V HN 0.383 nan 8.190 nan 0.000 0.449 415 Y N 0.823 121.074 120.300 -0.083 0.000 2.069 415 Y HA -0.325 4.225 4.550 0.000 0.000 0.278 415 Y C 2.278 178.167 175.900 -0.018 0.000 1.175 415 Y CA 2.065 60.177 58.100 0.021 0.000 1.134 415 Y CB -0.584 37.934 38.460 0.095 0.000 0.965 415 Y HN 0.199 nan 8.280 nan 0.000 0.498 416 L N -0.393 120.771 121.223 -0.098 0.000 2.021 416 L HA -0.237 4.103 4.340 0.000 0.000 0.215 416 L C 2.274 178.976 176.870 -0.279 0.000 1.074 416 L CA 2.095 56.762 54.840 -0.289 0.000 0.760 416 L CB -0.957 40.926 42.059 -0.293 0.000 0.889 416 L HN 0.209 nan 8.230 nan 0.000 0.433 417 V N -1.356 118.420 119.914 -0.229 0.000 2.591 417 V HA -0.258 3.862 4.120 0.000 0.000 0.249 417 V C 2.201 178.220 176.094 -0.126 0.000 1.053 417 V CA 1.776 63.958 62.300 -0.197 0.000 1.068 417 V CB -0.927 30.766 31.823 -0.216 0.000 0.689 417 V HN 0.595 nan 8.190 nan 0.000 0.462 418 H N -1.796 117.172 119.070 -0.171 0.000 2.521 418 H HA -0.116 4.440 4.556 0.000 0.000 0.286 418 H C 2.022 177.214 175.328 -0.226 0.000 1.034 418 H CA 1.072 57.025 56.048 -0.158 0.000 1.278 418 H CB 0.057 29.758 29.762 -0.102 0.000 1.386 418 H HN 0.400 nan 8.280 nan 0.000 0.567 419 C N -0.055 119.111 119.300 -0.222 0.000 2.626 419 C HA 0.224 4.684 4.460 0.000 0.000 0.266 419 C C 1.685 176.569 174.990 -0.177 0.000 1.317 419 C CA 0.732 59.587 59.018 -0.273 0.000 1.716 419 C CB -0.550 26.928 27.740 -0.437 0.000 1.819 419 C HN 0.852 nan 8.230 nan 0.000 0.578 420 G N 0.888 109.605 108.800 -0.137 0.000 2.165 420 G HA2 -0.231 3.729 3.960 0.000 0.000 0.226 420 G HA3 -0.231 3.729 3.960 0.000 0.000 0.226 420 G C 0.423 175.255 174.900 -0.114 0.000 1.035 420 G CA 0.289 45.326 45.100 -0.106 0.000 0.744 420 G HN 0.392 nan 8.290 nan 0.000 0.501 421 I N 0.318 120.804 120.570 -0.140 0.000 2.617 421 I HA 0.071 4.241 4.170 0.000 0.000 0.256 421 I C 2.402 178.453 176.117 -0.111 0.000 1.167 421 I CA 0.671 61.888 61.300 -0.137 0.000 1.469 421 I CB -0.108 37.785 38.000 -0.179 0.000 1.098 421 I HN 0.346 nan 8.210 nan 0.000 0.436 422 I N 0.498 121.002 120.570 -0.109 0.000 2.099 422 I HA -0.306 3.864 4.170 0.000 0.000 0.239 422 I C 2.437 178.514 176.117 -0.066 0.000 1.066 422 I CA 1.616 62.859 61.300 -0.095 0.000 1.324 422 I CB -1.524 36.417 38.000 -0.099 0.000 1.037 422 I HN 0.402 nan 8.210 nan 0.000 0.401 423 E N 1.545 121.712 120.200 -0.055 0.000 2.012 423 E HA -0.197 4.154 4.350 0.000 0.000 0.197 423 E C -0.554 176.025 176.600 -0.034 0.000 1.007 423 E CA 1.893 58.270 56.400 -0.038 0.000 0.816 423 E CB -0.926 28.754 29.700 -0.033 0.000 0.762 423 E HN 0.253 nan 8.360 nan 0.000 0.451 424 P HA -0.171 nan 4.420 nan 0.000 0.218 424 P C 1.712 178.995 177.300 -0.029 0.000 1.146 424 P CA 0.905 63.987 63.100 -0.029 0.000 0.813 424 P CB -0.061 31.618 31.700 -0.035 0.000 0.778 425 L N -1.213 119.984 121.223 -0.044 0.000 2.072 425 L HA -0.044 4.297 4.340 0.000 0.000 0.205 425 L C 2.550 179.398 176.870 -0.036 0.000 1.079 425 L CA 1.788 56.598 54.840 -0.049 0.000 0.752 425 L CB -1.121 40.897 42.059 -0.068 0.000 0.906 425 L HN -0.186 nan 8.230 nan 0.000 0.436 426 M N -0.484 119.096 119.600 -0.033 0.000 2.086 426 M HA -0.172 4.308 4.480 0.000 0.000 0.261 426 M C 1.994 178.285 176.300 -0.016 0.000 1.067 426 M CA 1.335 56.619 55.300 -0.026 0.000 1.116 426 M CB -1.617 30.969 32.600 -0.023 0.000 1.348 426 M HN 0.329 nan 8.290 nan 0.000 0.407 427 N N 0.750 119.444 118.700 -0.009 0.000 2.258 427 N HA -0.143 4.597 4.740 0.000 0.000 0.187 427 N C 1.809 177.331 175.510 0.019 0.000 1.012 427 N CA 1.149 54.202 53.050 0.004 0.000 0.870 427 N CB -0.376 38.115 38.487 0.007 0.000 0.977 427 N HN 0.406 nan 8.380 nan 0.000 0.434 428 L N 0.630 121.867 121.223 0.023 0.000 2.376 428 L HA 0.022 4.362 4.340 0.000 0.000 0.219 428 L C 1.570 178.467 176.870 0.045 0.000 1.133 428 L CA 0.192 55.067 54.840 0.059 0.000 0.816 428 L CB -0.121 41.966 42.059 0.047 0.000 0.933 428 L HN 0.082 nan 8.230 nan 0.000 0.449 429 L N -0.875 120.352 121.223 0.007 0.000 2.762 429 L HA -0.063 4.277 4.340 0.000 0.000 0.250 429 L C 1.905 178.772 176.870 -0.004 0.000 1.160 429 L CA 0.212 55.045 54.840 -0.011 0.000 0.951 429 L CB -0.234 41.806 42.059 -0.032 0.000 1.148 429 L HN 0.150 nan 8.230 nan 0.000 0.424 430 S N -0.997 114.710 115.700 0.012 0.000 2.524 430 S HA 0.278 4.748 4.470 0.000 0.000 0.222 430 S C 1.040 175.637 174.600 -0.004 0.000 1.040 430 S CA 0.061 58.264 58.200 0.005 0.000 0.915 430 S CB 0.338 63.540 63.200 0.004 0.000 0.831 430 S HN 0.311 nan 8.310 nan 0.000 0.492 431 A N 1.582 124.406 122.820 0.006 0.000 2.445 431 A HA 0.461 4.781 4.320 0.000 0.000 0.242 431 A C 0.122 177.668 177.584 -0.063 0.000 1.075 431 A CA -0.042 51.954 52.037 -0.070 0.000 0.777 431 A CB 0.048 19.029 19.000 -0.031 0.000 1.013 431 A HN 0.264 nan 8.150 nan 0.000 0.493 432 K N 1.658 121.979 120.400 -0.130 0.000 2.502 432 K HA 0.179 4.499 4.320 0.000 0.000 0.244 432 K C -0.810 175.768 176.600 -0.036 0.000 1.249 432 K CA 0.339 56.592 56.287 -0.056 0.000 1.193 432 K CB -0.163 32.298 32.500 -0.066 0.000 1.674 432 K HN 0.610 nan 8.250 nan 0.000 0.302 433 D N 0.390 120.809 120.400 0.033 0.000 2.328 433 D HA -0.012 4.628 4.640 0.000 0.000 0.243 433 D C 0.734 177.092 176.300 0.096 0.000 1.324 433 D CA -0.002 54.062 54.000 0.108 0.000 0.966 433 D CB 0.983 41.943 40.800 0.267 0.000 1.324 433 D HN 0.341 nan 8.370 nan 0.000 0.549 434 T N 1.417 116.025 114.554 0.090 0.000 2.685 434 T HA -0.300 4.050 4.350 0.000 0.000 0.268 434 T C 1.748 176.460 174.700 0.020 0.000 1.034 434 T CA 1.235 63.366 62.100 0.052 0.000 1.149 434 T CB 0.055 69.004 68.868 0.134 0.000 0.860 434 T HN 0.181 nan 8.240 nan 0.000 0.449 435 K N 1.349 121.787 120.400 0.064 0.000 2.009 435 K HA 0.099 4.419 4.320 0.000 0.000 0.210 435 K C 2.196 178.777 176.600 -0.032 0.000 1.049 435 K CA 1.526 57.843 56.287 0.050 0.000 0.929 435 K CB -1.050 31.526 32.500 0.127 0.000 0.714 435 K HN 0.580 nan 8.250 nan 0.000 0.440 436 I N 0.063 120.635 120.570 0.004 0.000 2.226 436 I HA -0.225 3.946 4.170 0.000 0.000 0.245 436 I C 1.823 177.879 176.117 -0.102 0.000 1.100 436 I CA 1.295 62.548 61.300 -0.078 0.000 1.374 436 I CB -0.018 38.009 38.000 0.046 0.000 1.057 436 I HN 0.175 nan 8.210 nan 0.000 0.413 437 I N 0.606 121.143 120.570 -0.056 0.000 2.423 437 I HA -0.334 3.837 4.170 0.000 0.000 0.254 437 I C 2.463 178.506 176.117 -0.123 0.000 1.151 437 I CA 1.253 62.497 61.300 -0.094 0.000 1.421 437 I CB -0.413 37.503 38.000 -0.140 0.000 1.079 437 I HN 0.422 nan 8.210 nan 0.000 0.431 438 Q N 0.232 119.957 119.800 -0.126 0.000 1.941 438 Q HA -0.150 4.190 4.340 0.000 0.000 0.201 438 Q C 2.437 178.335 176.000 -0.170 0.000 0.982 438 Q CA 1.667 57.395 55.803 -0.125 0.000 0.839 438 Q CB -0.445 28.236 28.738 -0.095 0.000 0.904 438 Q HN 0.307 nan 8.270 nan 0.000 0.427 439 V N 1.754 121.498 119.914 -0.283 0.000 2.311 439 V HA -0.334 3.787 4.120 0.000 0.000 0.256 439 V C 2.248 178.177 176.094 -0.275 0.000 1.077 439 V CA 1.985 64.027 62.300 -0.431 0.000 1.067 439 V CB -0.810 30.507 31.823 -0.843 0.000 0.659 439 V HN 0.342 nan 8.190 nan 0.000 0.451 440 I N -0.736 119.709 120.570 -0.208 0.000 2.133 440 I HA -0.241 3.929 4.170 0.000 0.000 0.238 440 I C 2.402 178.469 176.117 -0.084 0.000 1.074 440 I CA 1.659 62.879 61.300 -0.133 0.000 1.342 440 I CB -0.466 37.474 38.000 -0.100 0.000 1.053 440 I HN 0.238 nan 8.210 nan 0.000 0.404 441 L N 0.317 121.497 121.223 -0.072 0.000 2.081 441 L HA -0.286 4.054 4.340 0.000 0.000 0.212 441 L C 2.372 179.238 176.870 -0.006 0.000 1.080 441 L CA 1.330 56.154 54.840 -0.026 0.000 0.754 441 L CB -0.748 41.288 42.059 -0.037 0.000 0.893 441 L HN 0.359 nan 8.230 nan 0.000 0.433 442 D N 0.091 120.465 120.400 -0.043 0.000 2.092 442 D HA -0.205 4.435 4.640 0.000 0.000 0.193 442 D C 2.158 178.455 176.300 -0.005 0.000 0.994 442 D CA 1.690 55.674 54.000 -0.026 0.000 0.828 442 D CB 0.189 40.947 40.800 -0.069 0.000 0.963 442 D HN 0.324 nan 8.370 nan 0.000 0.450 443 A N 0.977 123.776 122.820 -0.035 0.000 1.933 443 A HA -0.166 4.154 4.320 0.000 0.000 0.218 443 A C 2.243 179.824 177.584 -0.005 0.000 1.175 443 A CA 0.888 52.913 52.037 -0.021 0.000 0.628 443 A CB -0.468 18.501 19.000 -0.052 0.000 0.814 443 A HN 0.221 nan 8.150 nan 0.000 0.444 444 I N 1.023 121.597 120.570 0.007 0.000 2.099 444 I HA -0.253 3.917 4.170 0.000 0.000 0.239 444 I C 2.994 179.188 176.117 0.129 0.000 1.066 444 I CA 2.177 63.503 61.300 0.043 0.000 1.324 444 I CB -1.636 36.432 38.000 0.114 0.000 1.037 444 I HN 0.556 nan 8.210 nan 0.000 0.401 445 S N 1.500 117.305 115.700 0.174 0.000 2.374 445 S HA -0.248 4.222 4.470 0.000 0.000 0.227 445 S C 1.837 176.523 174.600 0.142 0.000 1.037 445 S CA 1.628 59.952 58.200 0.206 0.000 1.024 445 S CB -0.734 62.567 63.200 0.169 0.000 0.861 445 S HN 0.408 nan 8.310 nan 0.000 0.456 446 N N 2.276 121.027 118.700 0.085 0.000 2.036 446 N HA -0.034 4.706 4.740 0.000 0.000 0.195 446 N C 1.821 177.353 175.510 0.037 0.000 1.037 446 N CA 1.909 54.996 53.050 0.061 0.000 0.855 446 N CB -0.717 37.800 38.487 0.049 0.000 1.033 446 N HN 0.562 nan 8.380 nan 0.000 0.423 447 I N 0.017 120.579 120.570 -0.013 0.000 2.127 447 I HA -0.272 3.898 4.170 0.000 0.000 0.241 447 I C 1.942 177.981 176.117 -0.131 0.000 1.075 447 I CA 1.053 62.294 61.300 -0.098 0.000 1.334 447 I CB -0.435 37.447 38.000 -0.198 0.000 1.040 447 I HN -0.057 nan 8.210 nan 0.000 0.405 448 F N 1.342 121.186 119.950 -0.176 0.000 2.091 448 F HA -0.278 4.249 4.527 0.000 0.000 0.299 448 F C 2.778 178.471 175.800 -0.179 0.000 1.103 448 F CA 1.705 59.505 58.000 -0.334 0.000 1.228 448 F CB -0.757 37.779 39.000 -0.774 0.000 0.984 448 F HN 0.107 nan 8.300 nan 0.000 0.477 449 Q N -0.589 119.291 119.800 0.133 0.000 2.045 449 Q HA -0.248 4.092 4.340 0.000 0.000 0.206 449 Q C 2.456 178.503 176.000 0.079 0.000 0.991 449 Q CA 1.776 57.656 55.803 0.129 0.000 0.851 449 Q CB -0.594 28.210 28.738 0.110 0.000 0.911 449 Q HN 0.443 nan 8.270 nan 0.000 0.418 450 A N 0.612 123.456 122.820 0.040 0.000 2.070 450 A HA -0.073 4.247 4.320 0.000 0.000 0.220 450 A C 2.163 179.753 177.584 0.010 0.000 1.159 450 A CA 1.435 53.484 52.037 0.019 0.000 0.656 450 A CB -0.508 18.494 19.000 0.004 0.000 0.800 450 A HN 0.420 nan 8.150 nan 0.000 0.453 451 A N 0.885 123.707 122.820 0.003 0.000 1.872 451 A HA -0.137 4.184 4.320 0.000 0.000 0.214 451 A C 1.949 179.563 177.584 0.050 0.000 1.187 451 A CA 1.434 53.471 52.037 -0.000 0.000 0.614 451 A CB -0.602 18.376 19.000 -0.037 0.000 0.826 451 A HN 0.740 nan 8.150 nan 0.000 0.442 452 E N 0.457 120.716 120.200 0.099 0.000 2.401 452 E HA -0.195 4.155 4.350 0.000 0.000 0.199 452 E C 1.193 177.835 176.600 0.070 0.000 1.023 452 E CA 1.228 57.695 56.400 0.112 0.000 0.859 452 E CB -0.243 29.558 29.700 0.168 0.000 0.780 452 E HN 0.639 nan 8.360 nan 0.000 0.523 453 K N 0.308 120.739 120.400 0.053 0.000 2.400 453 K HA 0.132 4.452 4.320 0.000 0.000 0.194 453 K C 1.454 178.071 176.600 0.028 0.000 1.033 453 K CA 0.343 56.652 56.287 0.037 0.000 1.021 453 K CB 0.379 32.897 32.500 0.030 0.000 0.808 453 K HN 0.220 nan 8.250 nan 0.000 0.505 454 L N -0.447 120.793 121.223 0.028 0.000 3.016 454 L HA 0.231 4.571 4.340 0.000 0.000 0.267 454 L C 1.006 177.892 176.870 0.027 0.000 1.182 454 L CA -0.057 54.797 54.840 0.022 0.000 0.997 454 L CB 0.684 42.751 42.059 0.013 0.000 1.354 454 L HN 0.324 nan 8.230 nan 0.000 0.569 455 G N 0.367 109.189 108.800 0.037 0.000 2.238 455 G HA2 -0.354 3.606 3.960 0.000 0.000 0.270 455 G HA3 -0.354 3.606 3.960 0.000 0.000 0.270 455 G C 1.002 175.927 174.900 0.041 0.000 0.977 455 G CA 0.852 45.976 45.100 0.041 0.000 0.639 455 G HN 0.379 nan 8.290 nan 0.000 0.544 456 E N 0.581 120.800 120.200 0.031 0.000 2.219 456 E HA -0.195 4.155 4.350 0.000 0.000 0.198 456 E C 2.688 179.306 176.600 0.030 0.000 0.998 456 E CA 1.882 58.294 56.400 0.020 0.000 0.818 456 E CB -0.972 28.727 29.700 -0.000 0.000 0.741 456 E HN 0.966 nan 8.360 nan 0.000 0.477 457 T N -0.011 114.583 114.554 0.066 0.000 2.582 457 T HA -0.423 3.927 4.350 0.000 0.000 0.238 457 T C 1.828 176.602 174.700 0.123 0.000 1.283 457 T CA 2.328 64.515 62.100 0.145 0.000 1.101 457 T CB -0.768 68.223 68.868 0.205 0.000 0.823 457 T HN 0.377 nan 8.240 nan 0.000 0.467 458 E N 1.096 121.338 120.200 0.070 0.000 2.086 458 E HA -0.250 4.100 4.350 0.000 0.000 0.200 458 E C 2.463 179.077 176.600 0.025 0.000 1.012 458 E CA 1.639 58.060 56.400 0.035 0.000 0.812 458 E CB -0.157 29.555 29.700 0.021 0.000 0.743 458 E HN 0.647 nan 8.360 nan 0.000 0.453 459 K N 0.095 120.503 120.400 0.014 0.000 2.009 459 K HA -0.203 4.118 4.320 0.000 0.000 0.210 459 K C 2.270 178.855 176.600 -0.024 0.000 1.049 459 K CA 1.243 57.530 56.287 -0.000 0.000 0.929 459 K CB -0.448 32.050 32.500 -0.003 0.000 0.714 459 K HN 0.183 nan 8.250 nan 0.000 0.440 460 L N 1.633 122.811 121.223 -0.075 0.000 2.043 460 L HA -0.210 4.130 4.340 0.000 0.000 0.212 460 L C 2.067 178.878 176.870 -0.097 0.000 1.075 460 L CA 1.796 56.509 54.840 -0.212 0.000 0.752 460 L CB -0.857 40.895 42.059 -0.511 0.000 0.891 460 L HN 0.032 nan 8.230 nan 0.000 0.432 461 S N -0.246 115.487 115.700 0.055 0.000 2.344 461 S HA -0.148 4.322 4.470 0.000 0.000 0.217 461 S C 1.959 176.649 174.600 0.150 0.000 1.033 461 S CA 1.438 59.693 58.200 0.091 0.000 1.017 461 S CB -0.346 62.778 63.200 -0.127 0.000 0.941 461 S HN 0.409 nan 8.310 nan 0.000 0.430 462 I N 1.662 122.278 120.570 0.075 0.000 2.074 462 I HA -0.311 3.859 4.170 0.000 0.000 0.238 462 I C 2.428 178.593 176.117 0.080 0.000 1.037 462 I CA 1.777 63.122 61.300 0.074 0.000 1.301 462 I CB -1.191 36.833 38.000 0.039 0.000 1.016 462 I HN 0.382 nan 8.210 nan 0.000 0.400 463 M N 0.271 119.897 119.600 0.044 0.000 2.151 463 M HA -0.289 4.191 4.480 0.000 0.000 0.256 463 M C 2.301 178.629 176.300 0.046 0.000 1.072 463 M CA 2.254 57.568 55.300 0.022 0.000 1.090 463 M CB -0.230 32.355 32.600 -0.025 0.000 1.294 463 M HN 0.121 nan 8.290 nan 0.000 0.415 464 I N -0.694 119.929 120.570 0.089 0.000 2.454 464 I HA -0.279 3.891 4.170 0.000 0.000 0.254 464 I C 2.320 178.517 176.117 0.134 0.000 1.156 464 I CA 1.371 62.743 61.300 0.120 0.000 1.433 464 I CB -0.532 37.614 38.000 0.244 0.000 1.082 464 I HN 0.477 nan 8.210 nan 0.000 0.432 465 E N 0.885 121.197 120.200 0.187 0.000 2.158 465 E HA -0.174 4.176 4.350 0.000 0.000 0.191 465 E C 1.957 178.605 176.600 0.081 0.000 0.982 465 E CA 0.604 57.094 56.400 0.150 0.000 0.823 465 E CB 0.224 30.038 29.700 0.191 0.000 0.766 465 E HN 0.415 nan 8.360 nan 0.000 0.468 466 E N -0.052 120.187 120.200 0.065 0.000 2.077 466 E HA -0.167 4.183 4.350 0.000 0.000 0.193 466 E C 1.986 178.601 176.600 0.025 0.000 0.989 466 E CA 1.367 57.790 56.400 0.038 0.000 0.800 466 E CB -0.113 29.603 29.700 0.027 0.000 0.746 466 E HN 0.462 nan 8.360 nan 0.000 0.452 467 C N -0.518 118.795 119.300 0.021 0.000 2.589 467 C HA 0.662 5.122 4.460 0.000 0.000 0.307 467 C C 1.475 176.469 174.990 0.007 0.000 1.328 467 C CA -0.240 58.784 59.018 0.009 0.000 1.742 467 C CB -0.802 26.938 27.740 -0.001 0.000 2.037 467 C HN 0.442 nan 8.230 nan 0.000 0.592 468 G N 0.683 109.491 108.800 0.014 0.000 2.168 468 G HA2 -0.157 3.803 3.960 0.000 0.000 0.257 468 G HA3 -0.157 3.803 3.960 0.000 0.000 0.257 468 G C 1.034 175.928 174.900 -0.010 0.000 0.997 468 G CA 0.419 45.521 45.100 0.005 0.000 0.708 468 G HN 0.973 nan 8.290 nan 0.000 0.520 469 G N -0.043 108.752 108.800 -0.009 0.000 2.394 469 G HA2 0.115 4.075 3.960 0.000 0.000 0.215 469 G HA3 0.115 4.075 3.960 0.000 0.000 0.215 469 G C 1.718 176.558 174.900 -0.100 0.000 1.165 469 G CA 1.429 46.508 45.100 -0.037 0.000 0.784 469 G HN 0.949 nan 8.290 nan 0.000 0.535 470 L N 1.393 122.553 121.223 -0.105 0.000 2.043 470 L HA -0.091 4.249 4.340 0.000 0.000 0.212 470 L C 2.017 178.792 176.870 -0.158 0.000 1.075 470 L CA 2.329 57.027 54.840 -0.237 0.000 0.752 470 L CB -0.814 41.206 42.059 -0.063 0.000 0.891 470 L HN 0.149 nan 8.230 nan 0.000 0.432 471 D N -0.406 119.952 120.400 -0.071 0.000 2.123 471 D HA -0.187 4.453 4.640 0.000 0.000 0.196 471 D C 2.129 178.398 176.300 -0.051 0.000 0.992 471 D CA 1.601 55.574 54.000 -0.045 0.000 0.833 471 D CB -0.084 40.705 40.800 -0.019 0.000 0.954 471 D HN 0.435 nan 8.370 nan 0.000 0.455 472 K N 0.004 120.371 120.400 -0.056 0.000 2.155 472 K HA 0.003 4.324 4.320 0.000 0.000 0.203 472 K C 2.142 178.704 176.600 -0.063 0.000 1.052 472 K CA 0.651 56.910 56.287 -0.046 0.000 0.948 472 K CB 0.069 32.546 32.500 -0.040 0.000 0.728 472 K HN 0.236 nan 8.250 nan 0.000 0.448 473 I N 1.162 121.662 120.570 -0.117 0.000 2.193 473 I HA -0.197 3.973 4.170 0.000 0.000 0.240 473 I C 2.519 178.576 176.117 -0.101 0.000 1.084 473 I CA 1.165 62.381 61.300 -0.139 0.000 1.365 473 I CB -0.222 37.608 38.000 -0.282 0.000 1.064 473 I HN 0.177 nan 8.210 nan 0.000 0.410 474 E N 1.322 121.450 120.200 -0.120 0.000 2.409 474 E HA -0.162 4.188 4.350 0.000 0.000 0.198 474 E C 2.010 178.601 176.600 -0.016 0.000 1.024 474 E CA 0.930 57.294 56.400 -0.060 0.000 0.861 474 E CB 0.143 29.807 29.700 -0.059 0.000 0.788 474 E HN 0.507 nan 8.360 nan 0.000 0.521 475 A N 0.467 123.278 122.820 -0.015 0.000 1.871 475 A HA 0.026 4.346 4.320 0.000 0.000 0.211 475 A C 2.037 179.648 177.584 0.045 0.000 1.207 475 A CA 0.294 52.337 52.037 0.011 0.000 0.620 475 A CB -0.487 18.517 19.000 0.007 0.000 0.860 475 A HN 0.277 nan 8.150 nan 0.000 0.450 476 L N -0.162 121.084 121.223 0.038 0.000 2.129 476 L HA -0.287 4.053 4.340 0.000 0.000 0.212 476 L C 2.765 179.717 176.870 0.136 0.000 1.087 476 L CA 1.715 56.599 54.840 0.074 0.000 0.757 476 L CB -0.473 41.578 42.059 -0.014 0.000 0.896 476 L HN 0.601 nan 8.230 nan 0.000 0.434 477 Q N 0.737 120.593 119.800 0.094 0.000 2.325 477 Q HA -0.202 4.138 4.340 0.000 0.000 0.211 477 Q C 0.864 176.963 176.000 0.164 0.000 0.988 477 Q CA 1.379 57.263 55.803 0.134 0.000 0.887 477 Q CB 0.160 28.941 28.738 0.072 0.000 0.915 477 Q HN 0.455 nan 8.270 nan 0.000 0.440 478 R N -0.190 120.377 120.500 0.112 0.000 2.997 478 R HA 0.193 4.533 4.340 0.000 0.000 0.358 478 R C -0.888 175.458 176.300 0.077 0.000 1.191 478 R CA -0.278 55.845 56.100 0.039 0.000 1.113 478 R CB 0.458 30.759 30.300 0.002 0.000 1.433 478 R HN 0.172 nan 8.270 nan 0.000 0.584 479 H N 0.467 119.585 119.070 0.081 0.000 2.517 479 H HA 0.076 4.632 4.556 0.000 0.000 0.346 479 H C 1.084 176.473 175.328 0.101 0.000 1.222 479 H CA -0.355 55.748 56.048 0.092 0.000 1.314 479 H CB 1.385 31.223 29.762 0.126 0.000 1.609 479 H HN 0.210 nan 8.280 nan 0.000 0.571 480 E N 0.439 120.400 120.200 -0.398 0.000 2.170 480 E HA -0.076 4.274 4.350 0.000 0.000 0.191 480 E C 0.306 176.972 176.600 0.110 0.000 0.981 480 E CA 0.123 56.434 56.400 -0.148 0.000 0.830 480 E CB -0.046 29.517 29.700 -0.228 0.000 0.775 480 E HN 0.409 nan 8.360 nan 0.000 0.470 481 N N 1.458 120.328 118.700 0.284 0.000 2.454 481 N HA -0.085 4.656 4.740 0.000 0.000 0.260 481 N C 0.482 176.197 175.510 0.341 0.000 1.218 481 N CA 0.143 53.386 53.050 0.323 0.000 0.904 481 N CB 0.767 39.470 38.487 0.361 0.000 1.065 481 N HN 0.105 nan 8.380 nan 0.000 0.462 482 E N 2.291 122.624 120.200 0.221 0.000 2.038 482 E HA -0.184 4.167 4.350 0.000 0.000 0.195 482 E C 1.507 177.899 176.600 -0.346 0.000 1.000 482 E CA 1.110 57.578 56.400 0.114 0.000 0.803 482 E CB -0.759 29.001 29.700 0.101 0.000 0.750 482 E HN 0.697 nan 8.360 nan 0.000 0.448 483 S N 0.464 116.074 115.700 -0.151 0.000 2.370 483 S HA -0.136 4.335 4.470 0.000 0.000 0.226 483 S C 2.176 176.658 174.600 -0.198 0.000 1.033 483 S CA 1.270 59.365 58.200 -0.174 0.000 1.011 483 S CB -0.253 62.906 63.200 -0.068 0.000 0.852 483 S HN 0.081 nan 8.310 nan 0.000 0.457 484 V N 2.017 121.870 119.914 -0.101 0.000 2.215 484 V HA -0.225 3.896 4.120 0.000 0.000 0.246 484 V C 2.291 178.345 176.094 -0.067 0.000 1.047 484 V CA 2.354 64.605 62.300 -0.083 0.000 0.999 484 V CB -1.459 30.303 31.823 -0.102 0.000 0.635 484 V HN 0.839 nan 8.190 nan 0.000 0.450 485 Y N 1.202 121.544 120.300 0.070 0.000 2.365 485 Y HA -0.226 4.324 4.550 0.000 0.000 0.287 485 Y C 2.174 178.096 175.900 0.036 0.000 1.162 485 Y CA 1.656 59.794 58.100 0.064 0.000 1.260 485 Y CB -0.878 37.635 38.460 0.087 0.000 0.976 485 Y HN 0.189 nan 8.280 nan 0.000 0.548 486 K N 0.687 120.701 120.400 -0.644 0.000 2.031 486 K HA 0.033 4.353 4.320 0.000 0.000 0.205 486 K C 2.575 179.090 176.600 -0.143 0.000 1.049 486 K CA 1.065 57.097 56.287 -0.424 0.000 0.939 486 K CB -0.380 31.821 32.500 -0.499 0.000 0.717 486 K HN 0.405 nan 8.250 nan 0.000 0.438 487 A N 1.507 124.254 122.820 -0.122 0.000 1.930 487 A HA -0.170 4.150 4.320 0.000 0.000 0.217 487 A C 2.217 179.802 177.584 0.000 0.000 1.175 487 A CA 2.093 54.104 52.037 -0.043 0.000 0.627 487 A CB -0.636 18.339 19.000 -0.041 0.000 0.815 487 A HN 0.392 nan 8.150 nan 0.000 0.443 488 S N 0.105 115.802 115.700 -0.005 0.000 2.355 488 S HA -0.133 4.337 4.470 0.000 0.000 0.222 488 S C 1.985 176.609 174.600 0.039 0.000 1.031 488 S CA 1.243 59.451 58.200 0.015 0.000 0.993 488 S CB -0.919 62.288 63.200 0.013 0.000 0.859 488 S HN 0.509 nan 8.310 nan 0.000 0.453 489 L N 2.124 123.386 121.223 0.064 0.000 2.043 489 L HA -0.197 4.144 4.340 0.000 0.000 0.212 489 L C 2.686 179.590 176.870 0.056 0.000 1.075 489 L CA 2.095 56.983 54.840 0.081 0.000 0.752 489 L CB -0.636 41.505 42.059 0.137 0.000 0.891 489 L HN 0.401 nan 8.230 nan 0.000 0.432 490 N N 0.256 118.978 118.700 0.037 0.000 2.084 490 N HA -0.220 4.520 4.740 0.000 0.000 0.190 490 N C 1.965 177.500 175.510 0.041 0.000 1.030 490 N CA 1.876 54.935 53.050 0.016 0.000 0.849 490 N CB -0.254 38.236 38.487 0.004 0.000 1.012 490 N HN 0.417 nan 8.380 nan 0.000 0.423 491 L N 0.798 122.088 121.223 0.112 0.000 2.013 491 L HA -0.228 4.112 4.340 0.000 0.000 0.212 491 L C 2.446 179.523 176.870 0.346 0.000 1.073 491 L CA 0.940 55.933 54.840 0.256 0.000 0.753 491 L CB -0.445 41.754 42.059 0.234 0.000 0.890 491 L HN 0.205 nan 8.230 nan 0.000 0.432 492 I N 0.260 120.961 120.570 0.218 0.000 2.076 492 I HA -0.310 3.860 4.170 0.000 0.000 0.237 492 I C 2.659 178.890 176.117 0.189 0.000 1.059 492 I CA 2.055 63.504 61.300 0.249 0.000 1.317 492 I CB -1.357 36.701 38.000 0.096 0.000 1.037 492 I HN 0.476 nan 8.210 nan 0.000 0.398 493 E N 1.538 121.780 120.200 0.069 0.000 2.023 493 E HA -0.311 4.039 4.350 0.000 0.000 0.196 493 E C 2.148 178.692 176.600 -0.094 0.000 1.003 493 E CA 1.614 58.014 56.400 -0.001 0.000 0.809 493 E CB -0.633 29.056 29.700 -0.018 0.000 0.755 493 E HN 0.408 nan 8.360 nan 0.000 0.449 494 K N -0.539 119.744 120.400 -0.196 0.000 2.360 494 K HA -0.138 4.183 4.320 0.000 0.000 0.201 494 K C 0.219 176.340 176.600 -0.798 0.000 1.046 494 K CA 1.152 57.138 56.287 -0.502 0.000 0.945 494 K CB 0.114 32.233 32.500 -0.635 0.000 0.750 494 K HN 0.275 nan 8.250 nan 0.000 0.464 495 Y N -2.568 117.593 120.300 -0.231 0.000 2.858 495 Y HA 0.281 4.831 4.550 0.000 0.000 0.270 495 Y C -0.460 174.996 175.900 -0.739 0.000 1.063 495 Y CA -0.773 56.982 58.100 -0.575 0.000 1.263 495 Y CB 0.545 38.308 38.460 -1.163 0.000 1.378 495 Y HN -0.149 nan 8.280 nan 0.000 0.578 496 F N -1.113 118.839 119.950 0.004 0.000 2.849 496 F HA 0.708 5.235 4.527 0.000 0.000 0.341 496 F C 0.675 176.490 175.800 0.025 0.000 1.185 496 F CA -0.836 57.184 58.000 0.034 0.000 1.007 496 F CB 1.335 40.364 39.000 0.050 0.000 1.454 496 F HN -0.245 nan 8.300 nan 0.000 0.518 497 S N 0.000 115.925 115.700 0.375 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.322 58.200 0.204 0.000 1.107 497 S CB 0.000 63.276 63.200 0.127 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517