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 1ee4_1_A DATA FIRST_RESID 87 DATA SEQUENCE QELPQMTQQL NSDDMQEQLS ATVKFRQILS REHRPPIDVV IQAGVVPRLV DATA SEQUENCE EFMRENQPEM LQLEAAWALT NIASGTSAQT KVVVDADAVP LFIQLLYTGS DATA SEQUENCE VEVKEQAIWA LGNVAGDSTD YRDYVLQCNA MEPILGLFNS NKPSLIRTAT DATA SEQUENCE WTLSNLCRGK KPQPDWSVVS QALPTLAKLI YSMDTETLVD ACWAISYLSD DATA SEQUENCE GPQEAIQAVI DVRIPKRLVE LLSHESTLVQ TPALRAVGNI VTGNDLQTQV DATA SEQUENCE VINAGVLPAL RLLLSSPKEN IKKEACWTIS NITAGNTEQI QAVIDANLIP DATA SEQUENCE PLVKLLEVAE DKTKKEACWA ISNASSGGLQ RPDIIRYLVS QGCIKPLCDL DATA SEQUENCE LEIADNRIIE VTLDALENIL KMGEADKEAR GLNINENADF IEKAGGMEKI DATA SEQUENCE FNCQQNENDK IYEKAYKIIE TYF 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 87 Q HA 0.000 nan 4.340 nan 0.000 0.214 87 Q C 0.000 175.968 176.000 -0.053 0.000 1.003 87 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 87 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 88 E N 0.485 120.638 120.200 -0.078 0.000 2.385 88 E HA 0.153 4.503 4.350 -0.001 0.000 0.194 88 E C 1.901 178.435 176.600 -0.111 0.000 1.013 88 E CA 0.509 56.856 56.400 -0.089 0.000 0.866 88 E CB 0.359 29.991 29.700 -0.113 0.000 0.832 88 E HN 0.384 nan 8.360 nan 0.000 0.500 89 L N 1.906 123.053 121.223 -0.126 0.000 2.034 89 L HA -0.190 4.150 4.340 -0.001 0.000 0.217 89 L C -0.957 175.895 176.870 -0.029 0.000 1.077 89 L CA 2.276 57.039 54.840 -0.127 0.000 0.769 89 L CB -1.056 40.958 42.059 -0.075 0.000 0.890 89 L HN 0.041 nan 8.230 nan 0.000 0.435 90 P HA -0.192 nan 4.420 nan 0.000 0.215 90 P C 1.489 178.803 177.300 0.023 0.000 1.153 90 P CA 1.243 64.353 63.100 0.017 0.000 0.853 90 P CB 0.026 31.730 31.700 0.006 0.000 0.788 91 Q N -0.806 118.994 119.800 0.001 0.000 2.079 91 Q HA -0.073 4.266 4.340 -0.001 0.000 0.200 91 Q C 2.095 178.110 176.000 0.025 0.000 0.974 91 Q CA 1.729 57.536 55.803 0.007 0.000 0.840 91 Q CB -0.964 27.767 28.738 -0.012 0.000 0.898 91 Q HN 0.157 nan 8.270 nan 0.000 0.430 92 M N -0.832 118.762 119.600 -0.010 0.000 2.080 92 M HA -0.193 4.286 4.480 -0.001 0.000 0.260 92 M C 1.985 178.435 176.300 0.250 0.000 1.068 92 M CA 2.035 57.343 55.300 0.013 0.000 1.109 92 M CB -0.487 31.914 32.600 -0.332 0.000 1.342 92 M HN 0.159 nan 8.290 nan 0.000 0.405 93 T N -0.192 114.517 114.554 0.259 0.000 2.708 93 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 93 T C 2.014 176.801 174.700 0.146 0.000 1.037 93 T CA 1.693 63.954 62.100 0.268 0.000 1.146 93 T CB -0.381 68.599 68.868 0.186 0.000 0.865 93 T HN 0.389 nan 8.240 nan 0.000 0.435 94 Q N 0.846 120.706 119.800 0.101 0.000 2.061 94 Q HA -0.131 4.209 4.340 -0.001 0.000 0.204 94 Q C 2.594 178.644 176.000 0.083 0.000 0.984 94 Q CA 1.387 57.233 55.803 0.071 0.000 0.846 94 Q CB -0.600 28.167 28.738 0.049 0.000 0.902 94 Q HN 0.702 nan 8.270 nan 0.000 0.421 95 Q N -0.548 119.311 119.800 0.098 0.000 2.124 95 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 95 Q C 2.219 178.307 176.000 0.146 0.000 0.977 95 Q CA 1.366 57.231 55.803 0.103 0.000 0.850 95 Q CB -0.252 28.541 28.738 0.093 0.000 0.901 95 Q HN 0.345 nan 8.270 nan 0.000 0.429 96 L N 1.215 122.554 121.223 0.193 0.000 2.083 96 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 96 L C 1.379 178.357 176.870 0.181 0.000 1.083 96 L CA 1.582 56.555 54.840 0.223 0.000 0.752 96 L CB -0.222 41.929 42.059 0.152 0.000 0.899 96 L HN 0.176 nan 8.230 nan 0.000 0.433 97 N N -0.940 117.820 118.700 0.100 0.000 2.461 97 N HA -0.013 4.726 4.740 -0.001 0.000 0.188 97 N C 0.740 176.301 175.510 0.086 0.000 1.134 97 N CA 0.324 53.415 53.050 0.068 0.000 0.878 97 N CB -0.046 38.457 38.487 0.026 0.000 0.972 97 N HN 0.293 nan 8.380 nan 0.000 0.456 98 S N 0.341 116.100 115.700 0.099 0.000 2.584 98 S HA 0.149 4.618 4.470 -0.001 0.000 0.270 98 S C 1.150 175.799 174.600 0.081 0.000 1.346 98 S CA 0.456 58.702 58.200 0.076 0.000 1.018 98 S CB 0.767 64.007 63.200 0.067 0.000 0.899 98 S HN 0.454 nan 8.310 nan 0.000 0.542 99 D N 1.068 121.501 120.400 0.054 0.000 2.354 99 D HA 0.128 4.767 4.640 -0.001 0.000 0.209 99 D C 0.389 176.706 176.300 0.028 0.000 1.015 99 D CA 0.375 54.403 54.000 0.046 0.000 0.867 99 D CB -0.250 40.570 40.800 0.033 0.000 0.933 99 D HN 0.717 nan 8.370 nan 0.000 0.520 100 D N -0.105 120.309 120.400 0.024 0.000 2.348 100 D HA 0.178 4.817 4.640 -0.001 0.000 0.253 100 D C 1.762 178.057 176.300 -0.009 0.000 1.161 100 D CA -0.464 53.540 54.000 0.007 0.000 0.876 100 D CB 1.020 41.826 40.800 0.009 0.000 1.160 100 D HN 0.400 nan 8.370 nan 0.000 0.459 101 M N 2.189 121.769 119.600 -0.034 0.000 2.319 101 M HA -0.081 4.399 4.480 -0.001 0.000 0.265 101 M C 1.619 177.880 176.300 -0.065 0.000 1.068 101 M CA 0.965 56.219 55.300 -0.077 0.000 1.118 101 M CB -0.233 32.314 32.600 -0.088 0.000 1.395 101 M HN 0.340 nan 8.290 nan 0.000 0.435 102 Q N 1.491 121.270 119.800 -0.034 0.000 2.084 102 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 102 Q C 1.830 177.824 176.000 -0.011 0.000 0.978 102 Q CA 1.953 57.742 55.803 -0.023 0.000 0.844 102 Q CB -0.183 28.548 28.738 -0.013 0.000 0.898 102 Q HN 0.577 nan 8.270 nan 0.000 0.426 103 E N 0.118 120.320 120.200 0.002 0.000 2.152 103 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 103 E C 1.978 178.608 176.600 0.049 0.000 0.983 103 E CA 0.949 57.365 56.400 0.026 0.000 0.818 103 E CB -0.072 29.649 29.700 0.035 0.000 0.758 103 E HN 0.610 nan 8.360 nan 0.000 0.467 104 Q N 0.228 120.043 119.800 0.026 0.000 2.046 104 Q HA -0.126 4.213 4.340 -0.001 0.000 0.200 104 Q C 2.277 178.293 176.000 0.026 0.000 0.975 104 Q CA 0.897 56.728 55.803 0.047 0.000 0.836 104 Q CB -0.189 28.460 28.738 -0.150 0.000 0.896 104 Q HN 0.124 nan 8.270 nan 0.000 0.428 105 L N 0.581 121.776 121.223 -0.047 0.000 2.027 105 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 105 L C 2.162 179.049 176.870 0.028 0.000 1.074 105 L CA 1.771 56.597 54.840 -0.025 0.000 0.745 105 L CB -0.605 41.427 42.059 -0.045 0.000 0.898 105 L HN 0.004 nan 8.230 nan 0.000 0.433 106 S N -0.123 115.591 115.700 0.024 0.000 2.370 106 S HA -0.182 4.287 4.470 -0.001 0.000 0.226 106 S C 2.079 176.708 174.600 0.048 0.000 1.033 106 S CA 1.195 59.408 58.200 0.022 0.000 1.011 106 S CB -0.633 62.574 63.200 0.012 0.000 0.852 106 S HN 0.672 nan 8.310 nan 0.000 0.457 107 A N 1.265 124.146 122.820 0.102 0.000 1.873 107 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 107 A C 2.342 180.118 177.584 0.319 0.000 1.186 107 A CA 1.965 54.114 52.037 0.188 0.000 0.616 107 A CB -1.334 17.824 19.000 0.262 0.000 0.823 107 A HN 0.474 nan 8.150 nan 0.000 0.442 108 T N -0.211 114.517 114.554 0.290 0.000 2.746 108 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 108 T C 1.866 176.672 174.700 0.177 0.000 1.039 108 T CA 1.571 63.848 62.100 0.295 0.000 1.142 108 T CB -0.427 68.596 68.868 0.258 0.000 0.866 108 T HN 0.149 nan 8.240 nan 0.000 0.444 109 V N 1.491 121.452 119.914 0.079 0.000 2.343 109 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 109 V C 2.449 178.502 176.094 -0.069 0.000 1.051 109 V CA 1.589 63.875 62.300 -0.023 0.000 1.036 109 V CB -0.480 31.324 31.823 -0.031 0.000 0.654 109 V HN 0.485 nan 8.190 nan 0.000 0.451 110 K N -0.694 119.673 120.400 -0.055 0.000 2.057 110 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 110 K C 2.067 178.548 176.600 -0.198 0.000 1.049 110 K CA 1.704 57.898 56.287 -0.154 0.000 0.931 110 K CB -0.352 32.021 32.500 -0.211 0.000 0.714 110 K HN 0.385 nan 8.250 nan 0.000 0.440 111 F N 1.200 121.110 119.950 -0.068 0.000 2.186 111 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 111 F C 2.683 178.407 175.800 -0.127 0.000 1.090 111 F CA 0.974 58.933 58.000 -0.069 0.000 1.307 111 F CB -0.048 38.934 39.000 -0.030 0.000 1.019 111 F HN -0.019 nan 8.300 nan 0.000 0.489 112 R N 0.998 121.486 120.500 -0.020 0.000 2.075 112 R HA -0.157 4.183 4.340 -0.001 0.000 0.232 112 R C 1.915 177.988 176.300 -0.378 0.000 1.126 112 R CA 1.744 57.677 56.100 -0.279 0.000 0.963 112 R CB -0.561 29.460 30.300 -0.464 0.000 0.858 112 R HN 0.367 nan 8.270 nan 0.000 0.435 113 Q N 0.539 120.160 119.800 -0.298 0.000 2.020 113 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 113 Q C 2.254 178.149 176.000 -0.175 0.000 0.982 113 Q CA 2.035 57.683 55.803 -0.258 0.000 0.838 113 Q CB -0.382 28.237 28.738 -0.199 0.000 0.899 113 Q HN 0.541 nan 8.270 nan 0.000 0.423 114 I N -1.864 118.619 120.570 -0.145 0.000 2.567 114 I HA -0.189 3.981 4.170 -0.001 0.000 0.257 114 I C 1.730 177.809 176.117 -0.063 0.000 1.184 114 I CA 1.210 62.448 61.300 -0.103 0.000 1.451 114 I CB -0.280 37.648 38.000 -0.120 0.000 1.089 114 I HN 0.085 nan 8.210 nan 0.000 0.441 115 L N 0.681 121.866 121.223 -0.065 0.000 2.509 115 L HA 0.111 4.450 4.340 -0.001 0.000 0.222 115 L C 1.161 178.005 176.870 -0.043 0.000 1.123 115 L CA 0.145 54.968 54.840 -0.029 0.000 0.856 115 L CB -0.132 41.925 42.059 -0.003 0.000 0.985 115 L HN 0.128 nan 8.230 nan 0.000 0.456 116 S N 1.294 116.937 115.700 -0.095 0.000 4.183 116 S HA 0.197 4.666 4.470 -0.001 0.000 0.195 116 S C 0.142 174.733 174.600 -0.015 0.000 1.421 116 S CA -0.068 58.096 58.200 -0.061 0.000 0.920 116 S CB -0.471 62.655 63.200 -0.124 0.000 1.525 116 S HN 0.241 nan 8.310 nan 0.000 0.447 117 R N 0.951 121.458 120.500 0.011 0.000 2.538 117 R HA 0.239 4.578 4.340 -0.001 0.000 0.292 117 R C 0.520 176.851 176.300 0.052 0.000 1.008 117 R CA -0.478 55.640 56.100 0.031 0.000 0.896 117 R CB 0.959 31.277 30.300 0.030 0.000 1.187 117 R HN 0.204 nan 8.270 nan 0.000 0.440 118 E N 1.636 121.877 120.200 0.069 0.000 2.107 118 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 118 E C -0.344 176.310 176.600 0.089 0.000 0.982 118 E CA 1.346 57.793 56.400 0.077 0.000 0.809 118 E CB 0.128 29.877 29.700 0.081 0.000 0.756 118 E HN 0.453 nan 8.360 nan 0.000 0.459 119 H N -0.246 118.836 119.070 0.021 0.000 2.476 119 H HA 0.433 4.988 4.556 -0.001 0.000 0.328 119 H C -0.509 174.829 175.328 0.016 0.000 1.073 119 H CA 0.611 56.670 56.048 0.019 0.000 1.229 119 H CB 0.648 30.418 29.762 0.014 0.000 1.432 119 H HN 0.153 nan 8.280 nan 0.000 0.477 120 R N 2.558 122.939 120.500 -0.198 0.000 3.146 120 R HA -0.136 4.204 4.340 -0.001 0.000 0.250 120 R C -2.682 173.633 176.300 0.024 0.000 0.912 120 R CA 0.660 56.729 56.100 -0.052 0.000 0.633 120 R CB -3.370 26.987 30.300 0.096 0.000 1.180 120 R HN 0.528 nan 8.270 nan 0.000 0.464 121 P HA 0.259 nan 4.420 nan 0.000 0.275 121 P C -2.051 175.264 177.300 0.024 0.000 1.227 121 P CA -1.500 61.615 63.100 0.024 0.000 0.781 121 P CB 0.948 32.664 31.700 0.027 0.000 0.906 122 P HA 0.080 nan 4.420 nan 0.000 0.277 122 P C 0.669 177.995 177.300 0.044 0.000 1.617 122 P CA 0.394 63.511 63.100 0.028 0.000 0.829 122 P CB -0.626 31.084 31.700 0.018 0.000 1.774 123 I N 0.077 120.673 120.570 0.042 0.000 2.127 123 I HA -0.305 3.865 4.170 -0.001 0.000 0.241 123 I C 2.493 178.639 176.117 0.049 0.000 1.075 123 I CA 2.289 63.620 61.300 0.051 0.000 1.334 123 I CB -1.193 36.836 38.000 0.048 0.000 1.040 123 I HN 0.153 nan 8.210 nan 0.000 0.405 124 D N 0.301 120.724 120.400 0.038 0.000 2.123 124 D HA -0.170 4.470 4.640 -0.001 0.000 0.196 124 D C 2.299 178.622 176.300 0.038 0.000 0.992 124 D CA 1.617 55.637 54.000 0.033 0.000 0.833 124 D CB -0.869 39.946 40.800 0.025 0.000 0.954 124 D HN 0.182 nan 8.370 nan 0.000 0.455 125 V N -0.014 119.926 119.914 0.044 0.000 2.343 125 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 125 V C 2.751 178.895 176.094 0.084 0.000 1.051 125 V CA 1.967 64.297 62.300 0.051 0.000 1.036 125 V CB -0.033 31.815 31.823 0.041 0.000 0.654 125 V HN 0.485 nan 8.190 nan 0.000 0.451 126 V N -0.011 119.968 119.914 0.108 0.000 2.358 126 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 126 V C 2.273 178.407 176.094 0.067 0.000 1.047 126 V CA 2.321 64.721 62.300 0.165 0.000 1.035 126 V CB -0.466 31.473 31.823 0.193 0.000 0.658 126 V HN 0.486 nan 8.190 nan 0.000 0.452 127 I N -0.181 120.413 120.570 0.040 0.000 2.127 127 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 127 I C 2.674 178.794 176.117 0.005 0.000 1.075 127 I CA 1.364 62.669 61.300 0.009 0.000 1.334 127 I CB -0.421 37.588 38.000 0.016 0.000 1.040 127 I HN 0.315 nan 8.210 nan 0.000 0.405 128 Q N 0.462 120.275 119.800 0.021 0.000 2.291 128 Q HA -0.089 4.250 4.340 -0.001 0.000 0.206 128 Q C 2.225 178.238 176.000 0.020 0.000 0.976 128 Q CA 1.369 57.182 55.803 0.017 0.000 0.875 128 Q CB -0.445 28.306 28.738 0.021 0.000 0.927 128 Q HN 0.556 nan 8.270 nan 0.000 0.450 129 A N -0.021 122.822 122.820 0.039 0.000 2.168 129 A HA 0.191 4.510 4.320 -0.001 0.000 0.215 129 A C 1.585 179.170 177.584 0.002 0.000 1.152 129 A CA 1.080 53.149 52.037 0.053 0.000 0.716 129 A CB -0.478 18.608 19.000 0.143 0.000 0.794 129 A HN 0.427 nan 8.150 nan 0.000 0.465 130 G N -1.245 107.538 108.800 -0.028 0.000 2.153 130 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.252 130 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.252 130 G C 0.927 175.758 174.900 -0.115 0.000 0.994 130 G CA 1.031 46.096 45.100 -0.059 0.000 0.698 130 G HN 1.579 nan 8.290 nan 0.000 0.521 131 V N -2.478 117.329 119.914 -0.179 0.000 3.623 131 V HA 0.235 4.354 4.120 -0.001 0.000 0.271 131 V C 2.317 178.227 176.094 -0.308 0.000 1.248 131 V CA 1.194 63.310 62.300 -0.307 0.000 1.156 131 V CB 0.046 31.518 31.823 -0.586 0.000 0.870 131 V HN 0.254 nan 8.190 nan 0.000 0.453 132 V N 1.132 120.920 119.914 -0.209 0.000 2.287 132 V HA -0.140 3.980 4.120 -0.001 0.000 0.248 132 V C 0.534 176.517 176.094 -0.185 0.000 1.053 132 V CA 2.975 65.172 62.300 -0.171 0.000 1.027 132 V CB -1.775 29.988 31.823 -0.100 0.000 0.646 132 V HN 0.529 nan 8.190 nan 0.000 0.447 133 P HA -0.161 nan 4.420 nan 0.000 0.216 133 P C 1.694 178.852 177.300 -0.235 0.000 1.150 133 P CA 1.243 64.243 63.100 -0.166 0.000 0.837 133 P CB -0.037 31.585 31.700 -0.130 0.000 0.786 134 R N 0.063 120.375 120.500 -0.314 0.000 2.075 134 R HA -0.034 4.305 4.340 -0.001 0.000 0.232 134 R C 2.143 177.989 176.300 -0.757 0.000 1.126 134 R CA 1.476 57.269 56.100 -0.511 0.000 0.963 134 R CB -1.578 28.419 30.300 -0.505 0.000 0.858 134 R HN 0.126 nan 8.270 nan 0.000 0.435 135 L N -0.420 120.482 121.223 -0.535 0.000 2.046 135 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 135 L C 2.276 179.030 176.870 -0.193 0.000 1.077 135 L CA 1.098 55.716 54.840 -0.371 0.000 0.747 135 L CB -0.530 41.407 42.059 -0.204 0.000 0.896 135 L HN 0.034 nan 8.230 nan 0.000 0.432 136 V N -0.308 119.495 119.914 -0.185 0.000 2.407 136 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 136 V C 2.702 178.737 176.094 -0.097 0.000 1.055 136 V CA 2.009 64.226 62.300 -0.137 0.000 1.049 136 V CB -0.486 31.239 31.823 -0.163 0.000 0.662 136 V HN 0.499 nan 8.190 nan 0.000 0.455 137 E N -0.139 119.972 120.200 -0.148 0.000 2.160 137 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 137 E C 1.798 178.480 176.600 0.137 0.000 0.991 137 E CA 1.280 57.644 56.400 -0.060 0.000 0.810 137 E CB -0.395 29.228 29.700 -0.128 0.000 0.742 137 E HN 0.703 nan 8.360 nan 0.000 0.466 138 F N -0.135 119.806 119.950 -0.015 0.000 2.748 138 F HA 0.321 4.847 4.527 -0.001 0.000 0.299 138 F C 2.051 177.864 175.800 0.023 0.000 1.154 138 F CA 0.350 58.354 58.000 0.006 0.000 1.446 138 F CB -0.489 38.518 39.000 0.012 0.000 1.112 138 F HN 0.259 nan 8.300 nan 0.000 0.584 139 M N -0.979 118.735 119.600 0.190 0.000 2.495 139 M HA 0.067 4.546 4.480 -0.001 0.000 0.237 139 M C 0.660 177.015 176.300 0.093 0.000 1.131 139 M CA 0.170 55.550 55.300 0.135 0.000 1.032 139 M CB 0.006 32.668 32.600 0.102 0.000 1.513 139 M HN -0.214 nan 8.290 nan 0.000 0.488 140 R N 1.289 121.840 120.500 0.086 0.000 2.698 140 R HA -0.078 4.261 4.340 -0.001 0.000 0.266 140 R C 1.230 177.564 176.300 0.056 0.000 1.026 140 R CA 0.115 56.250 56.100 0.057 0.000 1.102 140 R CB 0.390 30.722 30.300 0.054 0.000 0.978 140 R HN 0.269 nan 8.270 nan 0.000 0.436 141 E N 2.122 122.347 120.200 0.042 0.000 2.136 141 E HA -0.315 4.034 4.350 -0.001 0.000 0.202 141 E C 0.767 177.387 176.600 0.033 0.000 1.019 141 E CA 2.294 58.717 56.400 0.038 0.000 0.819 141 E CB 0.034 29.748 29.700 0.025 0.000 0.739 141 E HN 0.685 nan 8.360 nan 0.000 0.458 142 N N 0.114 118.831 118.700 0.028 0.000 2.322 142 N HA -0.031 4.708 4.740 -0.001 0.000 0.194 142 N C -0.115 175.404 175.510 0.016 0.000 1.126 142 N CA -0.004 53.058 53.050 0.020 0.000 0.845 142 N CB 0.236 38.732 38.487 0.014 0.000 0.976 142 N HN 0.040 nan 8.380 nan 0.000 0.475 143 Q N 0.911 120.726 119.800 0.025 0.000 2.394 143 Q HA 0.268 4.608 4.340 -0.001 0.000 0.248 143 Q C -2.173 173.820 176.000 -0.012 0.000 0.992 143 Q CA -1.470 54.336 55.803 0.005 0.000 0.888 143 Q CB 0.093 28.853 28.738 0.036 0.000 1.257 143 Q HN 0.205 nan 8.270 nan 0.000 0.462 144 P HA -0.091 nan 4.420 nan 0.000 0.265 144 P C 0.565 177.854 177.300 -0.017 0.000 1.187 144 P CA 0.294 63.370 63.100 -0.041 0.000 0.766 144 P CB 0.522 32.177 31.700 -0.076 0.000 0.820 145 E N 2.724 122.925 120.200 0.001 0.000 2.049 145 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 145 E C 1.425 178.043 176.600 0.031 0.000 1.007 145 E CA 1.673 58.085 56.400 0.021 0.000 0.809 145 E CB -0.225 29.488 29.700 0.021 0.000 0.749 145 E HN 0.278 nan 8.360 nan 0.000 0.450 146 M N 0.123 119.734 119.600 0.019 0.000 2.202 146 M HA -0.138 4.341 4.480 -0.001 0.000 0.262 146 M C 2.366 178.689 176.300 0.037 0.000 1.063 146 M CA 0.958 56.279 55.300 0.034 0.000 1.097 146 M CB -0.902 31.709 32.600 0.019 0.000 1.382 146 M HN 0.262 nan 8.290 nan 0.000 0.413 147 L N 0.424 121.641 121.223 -0.011 0.000 2.027 147 L HA -0.180 4.159 4.340 -0.001 0.000 0.206 147 L C 2.417 179.333 176.870 0.076 0.000 1.074 147 L CA 1.800 56.616 54.840 -0.041 0.000 0.745 147 L CB -0.631 41.291 42.059 -0.228 0.000 0.898 147 L HN 0.355 nan 8.230 nan 0.000 0.433 148 Q N -1.177 118.672 119.800 0.081 0.000 2.061 148 Q HA -0.254 4.085 4.340 -0.001 0.000 0.204 148 Q C 2.191 178.288 176.000 0.161 0.000 0.984 148 Q CA 1.772 57.655 55.803 0.134 0.000 0.846 148 Q CB -0.474 28.328 28.738 0.107 0.000 0.902 148 Q HN 0.400 nan 8.270 nan 0.000 0.421 149 L N 1.360 122.664 121.223 0.135 0.000 1.970 149 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 149 L C 2.145 179.159 176.870 0.240 0.000 1.071 149 L CA 1.917 56.852 54.840 0.158 0.000 0.751 149 L CB -0.450 41.686 42.059 0.129 0.000 0.889 149 L HN 0.128 nan 8.230 nan 0.000 0.432 150 E N -0.329 120.003 120.200 0.221 0.000 2.110 150 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 150 E C 2.152 178.886 176.600 0.224 0.000 0.988 150 E CA 1.257 57.792 56.400 0.225 0.000 0.804 150 E CB -0.425 29.354 29.700 0.132 0.000 0.745 150 E HN 0.633 nan 8.360 nan 0.000 0.458 151 A N 1.389 124.348 122.820 0.232 0.000 1.898 151 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 151 A C 2.404 180.137 177.584 0.247 0.000 1.181 151 A CA 1.761 53.939 52.037 0.234 0.000 0.620 151 A CB -0.447 18.727 19.000 0.290 0.000 0.819 151 A HN 0.256 nan 8.150 nan 0.000 0.442 152 A N -1.554 121.434 122.820 0.280 0.000 1.930 152 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 152 A C 1.995 179.743 177.584 0.274 0.000 1.175 152 A CA 1.477 53.706 52.037 0.320 0.000 0.627 152 A CB -0.744 18.416 19.000 0.266 0.000 0.815 152 A HN 0.804 nan 8.150 nan 0.000 0.443 153 W N 0.921 122.241 121.300 0.034 0.000 2.355 153 W HA -0.107 4.552 4.660 -0.001 0.000 0.309 153 W C 2.455 178.960 176.519 -0.023 0.000 1.206 153 W CA 1.528 58.846 57.345 -0.045 0.000 1.284 153 W CB -0.811 28.617 29.460 -0.053 0.000 1.145 153 W HN 0.392 nan 8.180 nan 0.000 0.502 154 A N 0.553 123.504 122.820 0.220 0.000 1.877 154 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 154 A C 2.304 179.973 177.584 0.141 0.000 1.186 154 A CA 2.016 54.114 52.037 0.103 0.000 0.620 154 A CB -1.172 17.880 19.000 0.086 0.000 0.822 154 A HN 0.304 nan 8.150 nan 0.000 0.443 155 L N -0.726 120.610 121.223 0.187 0.000 2.131 155 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 155 L C 2.739 179.739 176.870 0.217 0.000 1.092 155 L CA 1.609 56.584 54.840 0.225 0.000 0.759 155 L CB -0.957 41.324 42.059 0.369 0.000 0.903 155 L HN 0.352 nan 8.230 nan 0.000 0.435 156 T N -0.294 114.360 114.554 0.167 0.000 2.720 156 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 156 T C 1.671 176.456 174.700 0.142 0.000 1.037 156 T CA 1.509 63.668 62.100 0.099 0.000 1.144 156 T CB -0.203 68.675 68.868 0.016 0.000 0.864 156 T HN 0.317 nan 8.240 nan 0.000 0.444 157 N N 0.733 119.515 118.700 0.136 0.000 2.409 157 N HA 0.154 4.893 4.740 -0.001 0.000 0.179 157 N C 1.776 177.355 175.510 0.115 0.000 1.032 157 N CA 0.447 53.568 53.050 0.118 0.000 0.898 157 N CB -0.183 38.356 38.487 0.087 0.000 0.971 157 N HN 0.409 nan 8.380 nan 0.000 0.441 158 I N 0.767 121.407 120.570 0.118 0.000 2.286 158 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 158 I C 1.977 178.167 176.117 0.123 0.000 1.104 158 I CA 0.635 61.998 61.300 0.105 0.000 1.397 158 I CB -0.184 37.872 38.000 0.094 0.000 1.072 158 I HN 0.018 nan 8.210 nan 0.000 0.417 159 A N 0.456 123.367 122.820 0.153 0.000 2.209 159 A HA -0.111 4.208 4.320 -0.001 0.000 0.212 159 A C 2.224 179.916 177.584 0.180 0.000 1.158 159 A CA 1.358 53.496 52.037 0.169 0.000 0.742 159 A CB -0.569 18.545 19.000 0.190 0.000 0.790 159 A HN 0.516 nan 8.150 nan 0.000 0.472 160 S N -1.046 114.761 115.700 0.178 0.000 2.603 160 S HA 0.327 4.796 4.470 -0.001 0.000 0.220 160 S C 1.127 175.808 174.600 0.136 0.000 0.967 160 S CA 0.304 58.617 58.200 0.190 0.000 0.920 160 S CB -0.302 63.014 63.200 0.194 0.000 0.773 160 S HN 0.557 nan 8.310 nan 0.000 0.529 161 G N 1.712 110.581 108.800 0.115 0.000 2.714 161 G HA2 0.467 4.426 3.960 -0.001 0.000 0.197 161 G HA3 0.467 4.426 3.960 -0.001 0.000 0.197 161 G C 0.185 175.133 174.900 0.081 0.000 1.449 161 G CA 0.005 45.154 45.100 0.083 0.000 1.065 161 G HN 0.505 nan 8.290 nan 0.000 0.575 162 T N -2.352 112.240 114.554 0.062 0.000 2.788 162 T HA 0.266 4.615 4.350 -0.001 0.000 0.287 162 T C 1.474 176.220 174.700 0.076 0.000 1.007 162 T CA 0.459 62.590 62.100 0.053 0.000 1.005 162 T CB 1.119 70.007 68.868 0.032 0.000 1.012 162 T HN 0.192 nan 8.240 nan 0.000 0.530 163 S N 0.559 116.292 115.700 0.054 0.000 2.419 163 S HA -0.029 4.441 4.470 -0.001 0.000 0.233 163 S C 2.389 177.046 174.600 0.095 0.000 1.016 163 S CA 0.856 59.093 58.200 0.063 0.000 0.974 163 S CB -0.874 62.300 63.200 -0.044 0.000 0.786 163 S HN 0.860 nan 8.310 nan 0.000 0.492 164 A N 1.527 124.382 122.820 0.058 0.000 1.897 164 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 164 A C 2.100 179.727 177.584 0.072 0.000 1.181 164 A CA 1.100 53.171 52.037 0.056 0.000 0.620 164 A CB -0.513 18.506 19.000 0.030 0.000 0.821 164 A HN 0.535 nan 8.150 nan 0.000 0.443 165 Q N -0.835 119.008 119.800 0.072 0.000 2.119 165 Q HA -0.093 4.246 4.340 -0.001 0.000 0.201 165 Q C 2.034 178.090 176.000 0.093 0.000 0.972 165 Q CA 1.726 57.571 55.803 0.070 0.000 0.847 165 Q CB -0.371 28.406 28.738 0.065 0.000 0.903 165 Q HN 0.624 nan 8.270 nan 0.000 0.433 166 T N 1.269 115.905 114.554 0.136 0.000 2.821 166 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 166 T C 1.667 176.448 174.700 0.135 0.000 1.046 166 T CA 1.168 63.368 62.100 0.166 0.000 1.139 166 T CB -0.081 68.945 68.868 0.263 0.000 0.871 166 T HN 0.246 nan 8.240 nan 0.000 0.454 167 K N 1.044 121.570 120.400 0.211 0.000 2.063 167 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 167 K C 2.132 178.751 176.600 0.032 0.000 1.048 167 K CA 1.138 57.528 56.287 0.173 0.000 0.928 167 K CB -0.348 32.265 32.500 0.188 0.000 0.713 167 K HN 0.144 nan 8.250 nan 0.000 0.442 168 V N 0.793 120.727 119.914 0.034 0.000 2.287 168 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 168 V C 2.352 178.432 176.094 -0.024 0.000 1.053 168 V CA 1.751 64.052 62.300 0.001 0.000 1.027 168 V CB -0.278 31.549 31.823 0.008 0.000 0.646 168 V HN 0.193 nan 8.190 nan 0.000 0.447 169 V N -0.417 119.493 119.914 -0.006 0.000 2.295 169 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 169 V C 2.404 178.457 176.094 -0.069 0.000 1.049 169 V CA 1.899 64.192 62.300 -0.011 0.000 1.024 169 V CB -0.453 31.416 31.823 0.078 0.000 0.648 169 V HN 0.407 nan 8.190 nan 0.000 0.447 170 V N 0.240 120.082 119.914 -0.120 0.000 2.295 170 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 170 V C 2.212 178.200 176.094 -0.178 0.000 1.049 170 V CA 2.177 64.352 62.300 -0.209 0.000 1.024 170 V CB -0.716 30.782 31.823 -0.541 0.000 0.648 170 V HN 0.572 nan 8.190 nan 0.000 0.447 171 D N 0.503 120.819 120.400 -0.139 0.000 2.264 171 D HA -0.050 4.589 4.640 -0.001 0.000 0.208 171 D C 1.889 178.138 176.300 -0.085 0.000 0.966 171 D CA 1.359 55.296 54.000 -0.105 0.000 0.864 171 D CB -0.055 40.704 40.800 -0.067 0.000 0.933 171 D HN 0.488 nan 8.370 nan 0.000 0.499 172 A N 0.733 123.501 122.820 -0.088 0.000 2.276 172 A HA -0.033 4.287 4.320 -0.001 0.000 0.212 172 A C 0.179 177.702 177.584 -0.102 0.000 1.230 172 A CA 0.096 52.078 52.037 -0.091 0.000 0.844 172 A CB 0.010 18.951 19.000 -0.098 0.000 0.860 172 A HN 0.002 nan 8.150 nan 0.000 0.486 173 D N -2.147 118.199 120.400 -0.089 0.000 2.870 173 D HA -0.243 4.396 4.640 -0.001 0.000 0.228 173 D C 1.044 177.256 176.300 -0.146 0.000 1.147 173 D CA 0.911 54.870 54.000 -0.069 0.000 0.757 173 D CB -1.515 39.254 40.800 -0.052 0.000 1.091 173 D HN 0.623 nan 8.370 nan 0.000 0.429 174 A N -0.176 122.499 122.820 -0.242 0.000 1.929 174 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 174 A C 2.427 179.569 177.584 -0.737 0.000 1.176 174 A CA 1.437 53.138 52.037 -0.561 0.000 0.628 174 A CB -0.168 18.430 19.000 -0.671 0.000 0.816 174 A HN 0.243 nan 8.150 nan 0.000 0.444 175 V N 1.439 121.177 119.914 -0.293 0.000 2.231 175 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 175 V C 0.046 176.096 176.094 -0.073 0.000 1.054 175 V CA 2.669 64.936 62.300 -0.056 0.000 1.015 175 V CB -1.650 30.215 31.823 0.071 0.000 0.638 175 V HN 0.481 nan 8.190 nan 0.000 0.444 176 P HA -0.165 nan 4.420 nan 0.000 0.219 176 P C 1.816 179.102 177.300 -0.024 0.000 1.146 176 P CA 1.587 64.659 63.100 -0.048 0.000 0.808 176 P CB -0.035 31.643 31.700 -0.036 0.000 0.779 177 L N -2.205 118.956 121.223 -0.103 0.000 2.131 177 L HA -0.040 4.299 4.340 -0.001 0.000 0.206 177 L C 2.822 179.725 176.870 0.054 0.000 1.087 177 L CA 1.064 55.863 54.840 -0.068 0.000 0.767 177 L CB -0.802 41.162 42.059 -0.159 0.000 0.917 177 L HN -0.130 nan 8.230 nan 0.000 0.441 178 F N 0.259 120.232 119.950 0.037 0.000 2.102 178 F HA -0.259 4.267 4.527 -0.001 0.000 0.298 178 F C 2.452 178.271 175.800 0.032 0.000 1.105 178 F CA 0.900 58.922 58.000 0.037 0.000 1.239 178 F CB -0.208 38.809 39.000 0.028 0.000 0.991 178 F HN -0.037 nan 8.300 nan 0.000 0.474 179 I N 0.339 121.046 120.570 0.227 0.000 2.208 179 I HA -0.335 3.835 4.170 -0.001 0.000 0.245 179 I C 2.829 179.076 176.117 0.217 0.000 1.097 179 I CA 1.722 63.111 61.300 0.147 0.000 1.363 179 I CB -0.834 37.230 38.000 0.108 0.000 1.051 179 I HN 0.202 nan 8.210 nan 0.000 0.413 180 Q N 0.788 120.722 119.800 0.222 0.000 2.167 180 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 180 Q C 2.029 178.172 176.000 0.238 0.000 0.970 180 Q CA 1.060 57.022 55.803 0.265 0.000 0.855 180 Q CB -1.435 27.374 28.738 0.119 0.000 0.911 180 Q HN 0.662 nan 8.270 nan 0.000 0.438 181 L N -0.096 121.234 121.223 0.179 0.000 2.201 181 L HA -0.006 4.333 4.340 -0.001 0.000 0.212 181 L C 2.684 179.621 176.870 0.112 0.000 1.105 181 L CA 1.141 56.069 54.840 0.147 0.000 0.775 181 L CB -0.541 41.617 42.059 0.165 0.000 0.913 181 L HN 0.282 nan 8.230 nan 0.000 0.440 182 L N -1.708 119.563 121.223 0.081 0.000 2.191 182 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 182 L C 2.333 179.166 176.870 -0.061 0.000 1.103 182 L CA 1.406 56.224 54.840 -0.037 0.000 0.769 182 L CB -0.488 41.488 42.059 -0.139 0.000 0.908 182 L HN 0.239 nan 8.230 nan 0.000 0.438 183 Y N -0.344 119.967 120.300 0.019 0.000 2.262 183 Y HA -0.140 4.409 4.550 -0.001 0.000 0.295 183 Y C 2.946 178.854 175.900 0.013 0.000 1.121 183 Y CA 1.558 59.666 58.100 0.013 0.000 1.144 183 Y CB -0.299 38.168 38.460 0.012 0.000 1.043 183 Y HN 0.184 nan 8.280 nan 0.000 0.528 184 T N -2.731 111.944 114.554 0.202 0.000 3.014 184 T HA 0.280 4.630 4.350 -0.001 0.000 0.250 184 T C 1.172 175.919 174.700 0.079 0.000 1.060 184 T CA 0.262 62.430 62.100 0.114 0.000 1.040 184 T CB -0.501 68.420 68.868 0.088 0.000 0.971 184 T HN 0.166 nan 8.240 nan 0.000 0.497 185 G N 2.134 110.982 108.800 0.079 0.000 2.594 185 G HA2 0.426 4.385 3.960 -0.001 0.000 0.243 185 G HA3 0.426 4.385 3.960 -0.001 0.000 0.243 185 G C 0.193 175.117 174.900 0.040 0.000 1.229 185 G CA -0.140 44.996 45.100 0.060 0.000 0.843 185 G HN 0.617 nan 8.290 nan 0.000 0.578 186 S N 0.048 115.768 115.700 0.034 0.000 2.596 186 S HA 0.086 4.556 4.470 -0.001 0.000 0.260 186 S C 1.615 176.222 174.600 0.012 0.000 1.336 186 S CA -0.233 57.980 58.200 0.022 0.000 0.993 186 S CB 1.310 64.522 63.200 0.021 0.000 0.923 186 S HN 0.469 nan 8.310 nan 0.000 0.567 187 V N 1.566 121.482 119.914 0.002 0.000 2.278 187 V HA -0.241 3.878 4.120 -0.001 0.000 0.251 187 V C 2.706 178.791 176.094 -0.015 0.000 1.062 187 V CA 2.464 64.757 62.300 -0.011 0.000 1.038 187 V CB -1.368 30.447 31.823 -0.014 0.000 0.646 187 V HN 0.921 nan 8.190 nan 0.000 0.447 188 E N -0.198 119.996 120.200 -0.011 0.000 2.085 188 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 188 E C 2.238 178.828 176.600 -0.017 0.000 0.994 188 E CA 1.577 57.964 56.400 -0.022 0.000 0.801 188 E CB -0.255 29.441 29.700 -0.007 0.000 0.743 188 E HN 0.503 nan 8.360 nan 0.000 0.453 189 V N 1.614 121.535 119.914 0.012 0.000 2.295 189 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 189 V C 2.095 178.204 176.094 0.024 0.000 1.049 189 V CA 1.781 64.102 62.300 0.035 0.000 1.024 189 V CB -0.407 31.449 31.823 0.055 0.000 0.648 189 V HN 0.196 nan 8.190 nan 0.000 0.447 190 K N -0.039 120.367 120.400 0.010 0.000 2.103 190 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 190 K C 2.096 178.687 176.600 -0.016 0.000 1.048 190 K CA 1.703 57.987 56.287 -0.004 0.000 0.930 190 K CB -0.231 32.254 32.500 -0.026 0.000 0.716 190 K HN 0.567 nan 8.250 nan 0.000 0.444 191 E N 0.464 120.649 120.200 -0.024 0.000 2.153 191 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 191 E C 2.127 178.727 176.600 0.000 0.000 0.988 191 E CA 0.906 57.298 56.400 -0.013 0.000 0.811 191 E CB 0.140 29.812 29.700 -0.048 0.000 0.746 191 E HN 0.295 nan 8.360 nan 0.000 0.466 192 Q N 0.058 119.825 119.800 -0.055 0.000 2.033 192 Q HA -0.011 4.328 4.340 -0.001 0.000 0.196 192 Q C 2.305 178.275 176.000 -0.050 0.000 0.970 192 Q CA 1.198 56.950 55.803 -0.085 0.000 0.828 192 Q CB -0.550 28.164 28.738 -0.041 0.000 0.895 192 Q HN 0.230 nan 8.270 nan 0.000 0.440 193 A N 1.361 124.158 122.820 -0.038 0.000 1.883 193 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 193 A C 2.143 179.638 177.584 -0.148 0.000 1.186 193 A CA 1.659 53.632 52.037 -0.107 0.000 0.624 193 A CB -0.717 18.316 19.000 0.056 0.000 0.822 193 A HN 0.318 nan 8.150 nan 0.000 0.444 194 I N -1.639 118.906 120.570 -0.042 0.000 2.394 194 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 194 I C 2.129 178.267 176.117 0.035 0.000 1.136 194 I CA 0.908 62.186 61.300 -0.038 0.000 1.425 194 I CB -0.339 37.635 38.000 -0.043 0.000 1.079 194 I HN 0.623 nan 8.210 nan 0.000 0.425 195 W N 1.298 122.565 121.300 -0.054 0.000 2.381 195 W HA -0.132 4.528 4.660 -0.001 0.000 0.301 195 W C 2.397 178.921 176.519 0.009 0.000 1.205 195 W CA 2.047 59.465 57.345 0.121 0.000 1.285 195 W CB -0.703 28.776 29.460 0.032 0.000 1.133 195 W HN 0.285 nan 8.180 nan 0.000 0.521 196 A N 0.673 123.526 122.820 0.055 0.000 1.908 196 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 196 A C 2.207 179.648 177.584 -0.239 0.000 1.181 196 A CA 1.852 53.723 52.037 -0.277 0.000 0.627 196 A CB -1.169 17.119 19.000 -1.187 0.000 0.818 196 A HN 0.300 nan 8.150 nan 0.000 0.445 197 L N -0.734 120.332 121.223 -0.262 0.000 2.201 197 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 197 L C 2.751 179.509 176.870 -0.187 0.000 1.105 197 L CA 0.826 55.587 54.840 -0.132 0.000 0.775 197 L CB -0.630 41.370 42.059 -0.099 0.000 0.913 197 L HN 0.506 nan 8.230 nan 0.000 0.440 198 G N -0.188 108.429 108.800 -0.305 0.000 2.402 198 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 198 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 198 G C 1.408 176.003 174.900 -0.508 0.000 1.162 198 G CA 0.509 45.122 45.100 -0.812 0.000 0.777 198 G HN 0.305 nan 8.290 nan 0.000 0.539 199 N N 0.348 119.038 118.700 -0.017 0.000 2.216 199 N HA -0.066 4.673 4.740 -0.001 0.000 0.183 199 N C 2.348 177.924 175.510 0.110 0.000 1.017 199 N CA 0.891 54.046 53.050 0.174 0.000 0.861 199 N CB -0.328 38.347 38.487 0.313 0.000 0.986 199 N HN 0.194 nan 8.380 nan 0.000 0.428 200 V N 1.685 121.648 119.914 0.082 0.000 2.261 200 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 200 V C 2.431 178.604 176.094 0.132 0.000 1.047 200 V CA 1.885 64.259 62.300 0.123 0.000 1.015 200 V CB -0.999 30.895 31.823 0.118 0.000 0.642 200 V HN 0.275 nan 8.190 nan 0.000 0.446 201 A N 0.369 123.205 122.820 0.028 0.000 2.019 201 A HA -0.055 4.264 4.320 -0.001 0.000 0.219 201 A C 2.220 179.795 177.584 -0.015 0.000 1.164 201 A CA 1.716 53.758 52.037 0.008 0.000 0.644 201 A CB -0.920 18.027 19.000 -0.088 0.000 0.805 201 A HN 0.579 nan 8.150 nan 0.000 0.449 202 G N -0.953 107.816 108.800 -0.053 0.000 2.920 202 G HA2 0.006 3.966 3.960 -0.001 0.000 0.208 202 G HA3 0.006 3.966 3.960 -0.001 0.000 0.208 202 G C 0.984 175.905 174.900 0.035 0.000 1.159 202 G CA 0.976 46.054 45.100 -0.036 0.000 0.784 202 G HN 0.573 nan 8.290 nan 0.000 0.535 203 D N 0.374 120.832 120.400 0.096 0.000 2.091 203 D HA 0.011 4.650 4.640 -0.001 0.000 0.199 203 D C 1.462 177.771 176.300 0.015 0.000 0.980 203 D CA 1.519 55.583 54.000 0.107 0.000 0.831 203 D CB 0.274 41.230 40.800 0.261 0.000 0.987 203 D HN 0.364 nan 8.370 nan 0.000 0.460 204 S N -3.318 112.382 115.700 0.000 0.000 2.636 204 S HA 0.222 4.691 4.470 -0.001 0.000 0.266 204 S C 0.918 175.497 174.600 -0.035 0.000 1.147 204 S CA -0.110 58.047 58.200 -0.072 0.000 0.815 204 S CB 0.700 63.789 63.200 -0.185 0.000 1.119 204 S HN 0.138 nan 8.310 nan 0.000 0.470 205 T N -1.242 113.282 114.554 -0.050 0.000 2.759 205 T HA -0.130 4.219 4.350 -0.001 0.000 0.269 205 T C 0.958 175.669 174.700 0.019 0.000 1.042 205 T CA 2.154 64.243 62.100 -0.019 0.000 1.140 205 T CB -0.995 67.856 68.868 -0.028 0.000 0.864 205 T HN 0.558 nan 8.240 nan 0.000 0.455 206 D N 0.202 120.594 120.400 -0.014 0.000 2.117 206 D HA 0.022 4.662 4.640 -0.001 0.000 0.198 206 D C 1.815 178.260 176.300 0.242 0.000 0.982 206 D CA 1.060 55.089 54.000 0.048 0.000 0.828 206 D CB -0.383 40.385 40.800 -0.053 0.000 0.967 206 D HN 0.617 nan 8.370 nan 0.000 0.464 207 Y N 0.110 120.451 120.300 0.068 0.000 2.373 207 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 207 Y C 2.556 178.532 175.900 0.127 0.000 1.129 207 Y CA 0.152 58.331 58.100 0.131 0.000 1.226 207 Y CB 0.181 38.698 38.460 0.095 0.000 1.000 207 Y HN -0.104 nan 8.280 nan 0.000 0.549 208 R N 0.971 121.599 120.500 0.214 0.000 2.062 208 R HA -0.169 4.170 4.340 -0.001 0.000 0.231 208 R C 1.413 177.774 176.300 0.101 0.000 1.136 208 R CA 2.055 58.216 56.100 0.102 0.000 0.948 208 R CB -0.252 30.072 30.300 0.040 0.000 0.845 208 R HN 0.258 nan 8.270 nan 0.000 0.430 209 D N -0.249 120.224 120.400 0.122 0.000 2.144 209 D HA -0.195 4.445 4.640 -0.001 0.000 0.199 209 D C 1.687 178.076 176.300 0.147 0.000 0.984 209 D CA 1.059 55.125 54.000 0.110 0.000 0.834 209 D CB -0.439 40.424 40.800 0.104 0.000 0.955 209 D HN 0.281 nan 8.370 nan 0.000 0.465 210 Y N 2.150 122.502 120.300 0.087 0.000 2.128 210 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 210 Y C 2.220 178.144 175.900 0.040 0.000 1.154 210 Y CA 1.031 59.173 58.100 0.070 0.000 1.149 210 Y CB -0.573 37.945 38.460 0.095 0.000 0.976 210 Y HN -0.216 nan 8.280 nan 0.000 0.505 211 V N 0.609 120.456 119.914 -0.112 0.000 2.407 211 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 211 V C 2.572 178.576 176.094 -0.150 0.000 1.055 211 V CA 2.039 64.214 62.300 -0.208 0.000 1.049 211 V CB -0.828 30.958 31.823 -0.061 0.000 0.662 211 V HN 0.454 nan 8.190 nan 0.000 0.455 212 L N -0.671 120.511 121.223 -0.067 0.000 2.056 212 L HA -0.227 4.112 4.340 -0.001 0.000 0.207 212 L C 2.669 179.506 176.870 -0.054 0.000 1.078 212 L CA 1.607 56.420 54.840 -0.046 0.000 0.749 212 L CB -0.607 41.445 42.059 -0.011 0.000 0.901 212 L HN 0.350 nan 8.230 nan 0.000 0.433 213 Q N -0.925 118.844 119.800 -0.052 0.000 2.170 213 Q HA -0.186 4.154 4.340 -0.001 0.000 0.203 213 Q C 2.116 178.064 176.000 -0.086 0.000 0.976 213 Q CA 1.365 57.146 55.803 -0.038 0.000 0.858 213 Q CB -0.193 28.559 28.738 0.023 0.000 0.907 213 Q HN 0.552 nan 8.270 nan 0.000 0.433 214 C N 1.406 120.591 119.300 -0.192 0.000 2.546 214 C HA 0.079 4.538 4.460 -0.001 0.000 0.275 214 C C 0.107 175.049 174.990 -0.081 0.000 1.393 214 C CA -0.457 58.452 59.018 -0.182 0.000 1.703 214 C CB -1.549 25.990 27.740 -0.335 0.000 1.710 214 C HN 0.517 nan 8.230 nan 0.000 0.581 215 N N -0.184 118.482 118.700 -0.056 0.000 2.756 215 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 215 N C 0.694 176.203 175.510 -0.001 0.000 1.062 215 N CA 0.877 53.919 53.050 -0.013 0.000 0.696 215 N CB -1.084 37.413 38.487 0.018 0.000 0.946 215 N HN 0.675 nan 8.380 nan 0.000 0.548 216 A N -0.316 122.482 122.820 -0.036 0.000 2.067 216 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 216 A C 2.237 179.793 177.584 -0.047 0.000 1.156 216 A CA 1.332 53.345 52.037 -0.040 0.000 0.683 216 A CB -0.086 18.882 19.000 -0.055 0.000 0.808 216 A HN 0.319 nan 8.150 nan 0.000 0.455 217 M N 0.520 120.098 119.600 -0.037 0.000 2.073 217 M HA -0.195 4.285 4.480 -0.001 0.000 0.258 217 M C 1.828 178.110 176.300 -0.031 0.000 1.070 217 M CA 2.388 57.669 55.300 -0.033 0.000 1.103 217 M CB -0.608 31.968 32.600 -0.041 0.000 1.321 217 M HN 0.588 nan 8.290 nan 0.000 0.405 218 E N -0.213 119.973 120.200 -0.024 0.000 2.021 218 E HA -0.200 4.150 4.350 -0.001 0.000 0.200 218 E C -0.822 175.718 176.600 -0.100 0.000 1.015 218 E CA 1.990 58.379 56.400 -0.019 0.000 0.824 218 E CB -1.034 28.695 29.700 0.048 0.000 0.762 218 E HN 0.411 nan 8.360 nan 0.000 0.454 219 P HA -0.158 nan 4.420 nan 0.000 0.218 219 P C 1.528 178.676 177.300 -0.253 0.000 1.148 219 P CA 1.297 64.090 63.100 -0.511 0.000 0.822 219 P CB -0.117 31.023 31.700 -0.934 0.000 0.784 220 I N -0.398 120.092 120.570 -0.134 0.000 2.202 220 I HA -0.204 3.966 4.170 -0.001 0.000 0.242 220 I C 2.652 178.834 176.117 0.108 0.000 1.091 220 I CA 1.171 62.445 61.300 -0.043 0.000 1.368 220 I CB -0.670 37.335 38.000 0.008 0.000 1.058 220 I HN -0.160 nan 8.210 nan 0.000 0.410 221 L N 0.514 121.828 121.223 0.153 0.000 2.187 221 L HA -0.148 4.191 4.340 -0.001 0.000 0.213 221 L C 2.586 179.620 176.870 0.272 0.000 1.100 221 L CA 1.336 56.345 54.840 0.282 0.000 0.765 221 L CB -1.085 41.020 42.059 0.077 0.000 0.904 221 L HN 0.342 nan 8.230 nan 0.000 0.437 222 G N 0.056 108.900 108.800 0.073 0.000 2.443 222 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.219 222 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.219 222 G C 1.602 176.494 174.900 -0.013 0.000 1.131 222 G CA 0.229 45.341 45.100 0.020 0.000 0.775 222 G HN 0.268 nan 8.290 nan 0.000 0.547 223 L N -0.561 120.597 121.223 -0.108 0.000 2.191 223 L HA 0.030 4.370 4.340 -0.001 0.000 0.212 223 L C 2.117 178.798 176.870 -0.315 0.000 1.103 223 L CA 0.482 55.166 54.840 -0.260 0.000 0.769 223 L CB -0.379 41.427 42.059 -0.421 0.000 0.908 223 L HN 0.143 nan 8.230 nan 0.000 0.438 224 F N -0.574 119.358 119.950 -0.029 0.000 2.771 224 F HA -0.097 4.429 4.527 -0.001 0.000 0.299 224 F C 1.845 177.638 175.800 -0.012 0.000 1.177 224 F CA 0.434 58.424 58.000 -0.017 0.000 1.450 224 F CB -0.767 38.224 39.000 -0.016 0.000 1.114 224 F HN 0.031 nan 8.300 nan 0.000 0.587 225 N N -1.506 117.250 118.700 0.092 0.000 2.214 225 N HA -0.020 4.720 4.740 -0.001 0.000 0.214 225 N C 1.760 177.281 175.510 0.018 0.000 1.132 225 N CA 0.602 53.688 53.050 0.059 0.000 0.856 225 N CB 0.299 38.816 38.487 0.051 0.000 1.020 225 N HN 0.371 nan 8.380 nan 0.000 0.509 226 S N 0.097 115.789 115.700 -0.013 0.000 2.461 226 S HA -0.009 4.460 4.470 -0.001 0.000 0.228 226 S C 1.452 176.044 174.600 -0.014 0.000 1.005 226 S CA 0.998 59.182 58.200 -0.028 0.000 0.942 226 S CB -1.123 62.037 63.200 -0.067 0.000 0.776 226 S HN 0.833 nan 8.310 nan 0.000 0.514 227 N N -0.408 118.292 118.700 -0.001 0.000 2.741 227 N HA -0.233 4.507 4.740 -0.001 0.000 0.250 227 N C -0.042 175.467 175.510 -0.003 0.000 1.115 227 N CA 1.470 54.524 53.050 0.007 0.000 0.724 227 N CB -2.400 36.092 38.487 0.008 0.000 1.090 227 N HN 0.725 nan 8.380 nan 0.000 0.558 228 K N 0.141 120.530 120.400 -0.018 0.000 2.464 228 K HA 0.590 4.909 4.320 -0.001 0.000 0.252 228 K C -1.979 174.605 176.600 -0.026 0.000 1.000 228 K CA -2.069 54.204 56.287 -0.024 0.000 0.951 228 K CB 1.809 34.286 32.500 -0.038 0.000 1.183 228 K HN 0.078 nan 8.250 nan 0.000 0.445 229 P HA -0.262 nan 4.420 nan 0.000 0.213 229 P C 0.883 178.175 177.300 -0.013 0.000 1.170 229 P CA 1.778 64.877 63.100 -0.002 0.000 0.902 229 P CB 0.170 31.875 31.700 0.007 0.000 0.789 230 S N -0.690 115.003 115.700 -0.012 0.000 2.374 230 S HA -0.211 4.258 4.470 -0.001 0.000 0.227 230 S C 1.953 176.539 174.600 -0.023 0.000 1.037 230 S CA 1.521 59.716 58.200 -0.008 0.000 1.024 230 S CB -1.687 61.513 63.200 -0.000 0.000 0.861 230 S HN -0.000 nan 8.310 nan 0.000 0.456 231 L N 1.580 122.776 121.223 -0.045 0.000 2.027 231 L HA 0.155 4.494 4.340 -0.001 0.000 0.206 231 L C 2.320 179.103 176.870 -0.145 0.000 1.074 231 L CA 1.505 56.296 54.840 -0.081 0.000 0.745 231 L CB -0.629 41.372 42.059 -0.097 0.000 0.898 231 L HN 0.385 nan 8.230 nan 0.000 0.433 232 I N -0.818 119.663 120.570 -0.149 0.000 2.226 232 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 232 I C 2.625 178.700 176.117 -0.069 0.000 1.100 232 I CA 1.168 62.350 61.300 -0.197 0.000 1.374 232 I CB -0.320 37.641 38.000 -0.065 0.000 1.057 232 I HN 0.266 nan 8.210 nan 0.000 0.413 233 R N 0.223 120.708 120.500 -0.025 0.000 2.080 233 R HA -0.158 4.181 4.340 -0.001 0.000 0.236 233 R C 2.333 178.632 176.300 -0.002 0.000 1.137 233 R CA 2.229 58.329 56.100 0.001 0.000 0.943 233 R CB -0.790 29.492 30.300 -0.030 0.000 0.846 233 R HN 0.326 nan 8.270 nan 0.000 0.431 234 T N 0.675 115.196 114.554 -0.056 0.000 2.746 234 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 234 T C 1.929 176.665 174.700 0.060 0.000 1.039 234 T CA 1.349 63.427 62.100 -0.036 0.000 1.142 234 T CB -0.257 68.571 68.868 -0.066 0.000 0.866 234 T HN 0.399 nan 8.240 nan 0.000 0.444 235 A N 1.310 124.091 122.820 -0.066 0.000 1.972 235 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 235 A C 2.536 180.199 177.584 0.132 0.000 1.169 235 A CA 1.882 53.845 52.037 -0.123 0.000 0.635 235 A CB -1.131 17.543 19.000 -0.544 0.000 0.810 235 A HN 0.469 nan 8.150 nan 0.000 0.446 236 T N -1.484 113.213 114.554 0.237 0.000 2.777 236 T HA -0.177 4.172 4.350 -0.001 0.000 0.266 236 T C 1.486 176.325 174.700 0.231 0.000 1.040 236 T CA 1.464 63.776 62.100 0.353 0.000 1.141 236 T CB -0.341 68.705 68.868 0.297 0.000 0.868 236 T HN 0.794 nan 8.240 nan 0.000 0.444 237 W N 2.194 123.494 121.300 0.000 0.000 2.354 237 W HA -0.177 4.482 4.660 -0.001 0.000 0.315 237 W C 2.189 178.689 176.519 -0.031 0.000 1.206 237 W CA 1.630 58.947 57.345 -0.047 0.000 1.290 237 W CB -1.080 28.272 29.460 -0.180 0.000 1.152 237 W HN 0.089 nan 8.180 nan 0.000 0.489 238 T N 1.884 116.199 114.554 -0.399 0.000 2.684 238 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 238 T C 1.706 176.233 174.700 -0.288 0.000 1.036 238 T CA 1.947 63.685 62.100 -0.603 0.000 1.148 238 T CB -0.891 67.765 68.868 -0.352 0.000 0.863 238 T HN 0.184 nan 8.240 nan 0.000 0.436 239 L N 1.945 123.127 121.223 -0.069 0.000 2.079 239 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 239 L C 2.565 179.443 176.870 0.014 0.000 1.081 239 L CA 2.246 57.095 54.840 0.014 0.000 0.752 239 L CB -0.943 41.190 42.059 0.123 0.000 0.896 239 L HN 0.373 nan 8.230 nan 0.000 0.433 240 S N -1.206 114.515 115.700 0.036 0.000 2.383 240 S HA -0.145 4.325 4.470 -0.001 0.000 0.227 240 S C 1.843 176.535 174.600 0.153 0.000 1.026 240 S CA 1.063 59.364 58.200 0.169 0.000 0.981 240 S CB -0.804 62.540 63.200 0.241 0.000 0.818 240 S HN 0.547 nan 8.310 nan 0.000 0.472 241 N N 1.937 120.583 118.700 -0.090 0.000 2.309 241 N HA 0.110 4.850 4.740 -0.001 0.000 0.182 241 N C 1.603 177.056 175.510 -0.095 0.000 1.018 241 N CA 0.959 53.919 53.050 -0.149 0.000 0.876 241 N CB -0.555 37.732 38.487 -0.333 0.000 0.972 241 N HN 0.466 nan 8.380 nan 0.000 0.434 242 L N -0.400 120.781 121.223 -0.069 0.000 2.291 242 L HA -0.051 4.289 4.340 -0.001 0.000 0.214 242 L C 1.679 178.558 176.870 0.016 0.000 1.120 242 L CA 0.531 55.352 54.840 -0.032 0.000 0.799 242 L CB -0.103 41.934 42.059 -0.036 0.000 0.925 242 L HN 0.188 nan 8.230 nan 0.000 0.446 243 C N -1.408 117.936 119.300 0.073 0.000 2.634 243 C HA 0.092 4.552 4.460 -0.001 0.000 0.268 243 C C 1.679 176.731 174.990 0.103 0.000 1.322 243 C CA -0.632 58.472 59.018 0.144 0.000 1.737 243 C CB -0.638 27.247 27.740 0.243 0.000 1.976 243 C HN 0.300 nan 8.230 nan 0.000 0.547 244 R N 1.175 121.634 120.500 -0.069 0.000 2.594 244 R HA 0.451 4.790 4.340 -0.001 0.000 0.272 244 R C 0.125 176.264 176.300 -0.268 0.000 1.074 244 R CA 1.406 57.204 56.100 -0.504 0.000 1.105 244 R CB 0.064 29.927 30.300 -0.728 0.000 1.008 244 R HN 0.510 nan 8.270 nan 0.000 0.472 245 G N 2.478 111.109 108.800 -0.281 0.000 3.367 245 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 245 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 245 G C -0.308 174.553 174.900 -0.066 0.000 1.146 245 G CA -0.127 44.889 45.100 -0.141 0.000 0.913 245 G HN 0.690 nan 8.290 nan 0.000 0.554 246 K N 0.766 121.136 120.400 -0.050 0.000 2.313 246 K HA 0.493 4.813 4.320 -0.001 0.000 0.197 246 K C 1.300 177.893 176.600 -0.012 0.000 1.061 246 K CA 1.396 57.675 56.287 -0.014 0.000 0.980 246 K CB 0.136 32.632 32.500 -0.007 0.000 0.888 246 K HN 1.013 nan 8.250 nan 0.000 0.502 247 K N 2.347 122.733 120.400 -0.022 0.000 2.626 247 K HA 0.356 4.676 4.320 -0.001 0.000 0.223 247 K C -2.873 173.714 176.600 -0.022 0.000 0.992 247 K CA -1.480 54.797 56.287 -0.018 0.000 1.024 247 K CB 0.811 33.299 32.500 -0.019 0.000 1.225 247 K HN 0.048 nan 8.250 nan 0.000 0.498 248 P HA 0.272 nan 4.420 nan 0.000 0.279 248 P C -0.469 176.835 177.300 0.007 0.000 1.239 248 P CA -0.643 62.456 63.100 -0.000 0.000 0.789 248 P CB 0.901 32.604 31.700 0.005 0.000 0.933 249 Q N 3.155 122.968 119.800 0.022 0.000 2.314 249 Q HA 0.193 4.533 4.340 -0.001 0.000 0.258 249 Q C -1.854 174.185 176.000 0.065 0.000 0.954 249 Q CA -1.307 54.523 55.803 0.043 0.000 0.890 249 Q CB 0.259 29.027 28.738 0.050 0.000 1.210 249 Q HN 0.427 nan 8.270 nan 0.000 0.410 250 P HA -0.069 nan 4.420 nan 0.000 0.272 250 P C -0.250 177.123 177.300 0.121 0.000 1.240 250 P CA -0.335 62.816 63.100 0.084 0.000 0.791 250 P CB 0.588 32.334 31.700 0.076 0.000 0.978 251 D N 1.457 121.911 120.400 0.091 0.000 2.455 251 D HA -0.122 4.517 4.640 -0.001 0.000 0.265 251 D C 1.191 177.565 176.300 0.123 0.000 1.284 251 D CA 0.093 54.152 54.000 0.098 0.000 0.944 251 D CB -0.096 40.733 40.800 0.048 0.000 1.121 251 D HN 0.439 nan 8.370 nan 0.000 0.525 252 W N 3.809 125.117 121.300 0.013 0.000 2.342 252 W HA -0.258 4.402 4.660 -0.001 0.000 0.297 252 W C 1.685 178.210 176.519 0.010 0.000 1.213 252 W CA 1.495 58.847 57.345 0.013 0.000 1.251 252 W CB -0.111 29.357 29.460 0.013 0.000 1.136 252 W HN 0.521 nan 8.180 nan 0.000 0.526 253 S N 0.021 115.651 115.700 -0.117 0.000 2.469 253 S HA -0.158 4.311 4.470 -0.001 0.000 0.238 253 S C 1.520 175.976 174.600 -0.241 0.000 0.998 253 S CA 1.464 59.541 58.200 -0.205 0.000 0.957 253 S CB -0.575 62.601 63.200 -0.040 0.000 0.764 253 S HN 0.112 nan 8.310 nan 0.000 0.514 254 V N 1.538 121.335 119.914 -0.194 0.000 2.627 254 V HA 0.019 4.139 4.120 -0.001 0.000 0.239 254 V C 2.639 178.608 176.094 -0.209 0.000 1.077 254 V CA 0.946 63.151 62.300 -0.159 0.000 1.103 254 V CB -0.147 31.630 31.823 -0.077 0.000 0.802 254 V HN 0.543 nan 8.190 nan 0.000 0.482 255 V N 0.264 120.055 119.914 -0.204 0.000 2.626 255 V HA -0.152 3.968 4.120 -0.001 0.000 0.252 255 V C 2.480 178.355 176.094 -0.365 0.000 1.067 255 V CA 2.115 64.304 62.300 -0.186 0.000 1.081 255 V CB -1.265 30.534 31.823 -0.040 0.000 0.686 255 V HN 0.621 nan 8.190 nan 0.000 0.468 256 S N -0.010 115.222 115.700 -0.779 0.000 2.419 256 S HA -0.273 4.196 4.470 -0.001 0.000 0.233 256 S C 1.951 176.268 174.600 -0.471 0.000 1.016 256 S CA 1.577 59.168 58.200 -1.015 0.000 0.974 256 S CB -0.755 61.374 63.200 -1.784 0.000 0.786 256 S HN 0.720 nan 8.310 nan 0.000 0.492 257 Q N 0.799 120.388 119.800 -0.353 0.000 2.297 257 Q HA 0.032 4.371 4.340 -0.001 0.000 0.208 257 Q C 2.131 178.032 176.000 -0.164 0.000 0.981 257 Q CA 1.279 56.956 55.803 -0.210 0.000 0.876 257 Q CB -0.411 28.233 28.738 -0.157 0.000 0.921 257 Q HN 0.836 nan 8.270 nan 0.000 0.446 258 A N -0.130 122.586 122.820 -0.172 0.000 2.251 258 A HA 0.068 4.387 4.320 -0.001 0.000 0.209 258 A C 1.728 179.223 177.584 -0.148 0.000 1.187 258 A CA -0.026 51.918 52.037 -0.156 0.000 0.823 258 A CB -0.127 18.789 19.000 -0.140 0.000 0.846 258 A HN 0.252 nan 8.150 nan 0.000 0.486 259 L N -0.229 120.920 121.223 -0.124 0.000 2.012 259 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 259 L C -0.433 176.394 176.870 -0.072 0.000 1.073 259 L CA 1.680 56.477 54.840 -0.073 0.000 0.748 259 L CB -1.324 40.716 42.059 -0.031 0.000 0.891 259 L HN 0.224 nan 8.230 nan 0.000 0.431 260 P HA -0.150 nan 4.420 nan 0.000 0.216 260 P C 1.555 178.800 177.300 -0.092 0.000 1.153 260 P CA 1.535 64.596 63.100 -0.065 0.000 0.858 260 P CB -0.034 31.628 31.700 -0.062 0.000 0.789 261 T N -0.339 114.125 114.554 -0.150 0.000 2.674 261 T HA -0.097 4.253 4.350 -0.001 0.000 0.265 261 T C 1.737 176.292 174.700 -0.241 0.000 1.039 261 T CA 1.109 63.063 62.100 -0.244 0.000 1.150 261 T CB -0.992 67.615 68.868 -0.434 0.000 0.864 261 T HN 0.056 nan 8.240 nan 0.000 0.427 262 L N 0.837 121.933 121.223 -0.212 0.000 2.131 262 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 262 L C 3.013 179.846 176.870 -0.062 0.000 1.092 262 L CA 1.065 55.816 54.840 -0.147 0.000 0.759 262 L CB -0.691 41.303 42.059 -0.108 0.000 0.903 262 L HN 0.253 nan 8.230 nan 0.000 0.435 263 A N -0.064 122.738 122.820 -0.031 0.000 1.972 263 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 263 A C 2.514 180.174 177.584 0.125 0.000 1.169 263 A CA 1.762 53.824 52.037 0.043 0.000 0.635 263 A CB -0.278 18.741 19.000 0.032 0.000 0.810 263 A HN 0.266 nan 8.150 nan 0.000 0.446 264 K N -0.607 119.825 120.400 0.053 0.000 2.137 264 K HA 0.217 4.536 4.320 -0.001 0.000 0.202 264 K C 1.958 178.640 176.600 0.135 0.000 1.052 264 K CA 0.853 57.191 56.287 0.086 0.000 0.961 264 K CB -0.836 31.665 32.500 0.001 0.000 0.741 264 K HN 0.611 nan 8.250 nan 0.000 0.452 265 L N 1.193 122.440 121.223 0.040 0.000 2.127 265 L HA -0.052 4.287 4.340 -0.001 0.000 0.211 265 L C 2.203 179.095 176.870 0.037 0.000 1.089 265 L CA 1.423 56.283 54.840 0.035 0.000 0.757 265 L CB -0.691 41.347 42.059 -0.034 0.000 0.899 265 L HN 0.345 nan 8.230 nan 0.000 0.434 266 I N -4.546 116.028 120.570 0.008 0.000 3.456 266 I HA -0.196 3.974 4.170 -0.001 0.000 0.291 266 I C 1.178 177.162 176.117 -0.222 0.000 1.307 266 I CA 0.952 62.185 61.300 -0.113 0.000 1.333 266 I CB -0.538 37.356 38.000 -0.177 0.000 1.032 266 I HN 0.124 nan 8.210 nan 0.000 0.506 267 Y N 0.699 120.990 120.300 -0.015 0.000 2.467 267 Y HA 0.297 4.847 4.550 -0.001 0.000 0.250 267 Y C 1.661 177.568 175.900 0.012 0.000 1.155 267 Y CA -0.312 57.788 58.100 -0.000 0.000 1.249 267 Y CB 0.286 38.744 38.460 -0.003 0.000 1.146 267 Y HN 0.157 nan 8.280 nan 0.000 0.524 268 S N 0.388 116.153 115.700 0.109 0.000 2.572 268 S HA 0.256 4.725 4.470 -0.001 0.000 0.279 268 S C 1.276 175.917 174.600 0.070 0.000 1.341 268 S CA 0.476 58.728 58.200 0.087 0.000 1.043 268 S CB 0.913 64.154 63.200 0.070 0.000 0.887 268 S HN 0.414 nan 8.310 nan 0.000 0.516 269 M N 2.234 121.876 119.600 0.071 0.000 2.502 269 M HA 0.291 4.771 4.480 -0.001 0.000 0.243 269 M C 0.456 176.797 176.300 0.068 0.000 1.130 269 M CA 0.738 56.082 55.300 0.073 0.000 1.055 269 M CB -1.136 31.500 32.600 0.061 0.000 1.457 269 M HN 0.827 nan 8.290 nan 0.000 0.488 270 D N 0.435 120.868 120.400 0.054 0.000 2.352 270 D HA 0.291 4.930 4.640 -0.001 0.000 0.245 270 D C 1.219 177.538 176.300 0.032 0.000 1.224 270 D CA 0.494 54.520 54.000 0.044 0.000 0.879 270 D CB 0.895 41.719 40.800 0.040 0.000 1.057 270 D HN 0.361 nan 8.370 nan 0.000 0.491 271 T N 2.949 117.526 114.554 0.038 0.000 2.665 271 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 271 T C 1.496 176.188 174.700 -0.013 0.000 1.035 271 T CA 1.379 63.482 62.100 0.005 0.000 1.151 271 T CB -0.165 68.729 68.868 0.044 0.000 0.862 271 T HN 0.540 nan 8.240 nan 0.000 0.438 272 E N 0.293 120.497 120.200 0.008 0.000 2.070 272 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 272 E C 2.498 179.112 176.600 0.023 0.000 1.004 272 E CA 1.587 57.992 56.400 0.008 0.000 0.805 272 E CB -0.242 29.456 29.700 -0.003 0.000 0.744 272 E HN 0.420 nan 8.360 nan 0.000 0.451 273 T N 1.393 115.965 114.554 0.029 0.000 2.737 273 T HA -0.134 4.216 4.350 -0.001 0.000 0.265 273 T C 1.812 176.534 174.700 0.037 0.000 1.038 273 T CA 0.735 62.869 62.100 0.057 0.000 1.144 273 T CB -0.260 68.652 68.868 0.073 0.000 0.866 273 T HN 0.020 nan 8.240 nan 0.000 0.434 274 L N 1.509 122.728 121.223 -0.008 0.000 2.012 274 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 274 L C 2.464 179.277 176.870 -0.095 0.000 1.073 274 L CA 1.550 56.349 54.840 -0.069 0.000 0.748 274 L CB -0.900 41.083 42.059 -0.126 0.000 0.891 274 L HN 0.082 nan 8.230 nan 0.000 0.431 275 V N -0.096 119.777 119.914 -0.068 0.000 2.255 275 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 275 V C 2.263 178.414 176.094 0.094 0.000 1.051 275 V CA 2.186 64.467 62.300 -0.032 0.000 1.018 275 V CB -0.794 31.071 31.823 0.070 0.000 0.641 275 V HN 0.483 nan 8.190 nan 0.000 0.445 276 D N -0.045 120.455 120.400 0.166 0.000 2.219 276 D HA -0.064 4.575 4.640 -0.001 0.000 0.205 276 D C 2.183 178.563 176.300 0.134 0.000 0.970 276 D CA 1.426 55.573 54.000 0.245 0.000 0.851 276 D CB -0.137 40.803 40.800 0.235 0.000 0.943 276 D HN 0.462 nan 8.370 nan 0.000 0.488 277 A N 0.481 123.327 122.820 0.044 0.000 1.898 277 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 277 A C 2.522 180.054 177.584 -0.087 0.000 1.181 277 A CA 1.051 53.078 52.037 -0.017 0.000 0.620 277 A CB -0.863 18.116 19.000 -0.036 0.000 0.819 277 A HN 0.319 nan 8.150 nan 0.000 0.442 278 C N -2.729 116.475 119.300 -0.161 0.000 2.440 278 C HA -0.133 4.326 4.460 -0.001 0.000 0.278 278 C C 2.411 177.174 174.990 -0.379 0.000 1.295 278 C CA 0.462 59.306 59.018 -0.291 0.000 1.738 278 C CB -1.742 25.756 27.740 -0.402 0.000 1.987 278 C HN 0.823 nan 8.230 nan 0.000 0.492 279 W N 0.945 122.092 121.300 -0.254 0.000 2.379 279 W HA -0.082 4.578 4.660 -0.001 0.000 0.307 279 W C 2.696 178.718 176.519 -0.829 0.000 1.200 279 W CA 1.156 58.195 57.345 -0.510 0.000 1.297 279 W CB -0.619 28.633 29.460 -0.347 0.000 1.140 279 W HN 0.248 nan 8.180 nan 0.000 0.507 280 A N 0.538 123.248 122.820 -0.184 0.000 1.892 280 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 280 A C 1.829 179.366 177.584 -0.077 0.000 1.188 280 A CA 2.107 54.097 52.037 -0.079 0.000 0.631 280 A CB -1.108 17.907 19.000 0.024 0.000 0.822 280 A HN 0.325 nan 8.150 nan 0.000 0.447 281 I N 0.684 121.194 120.570 -0.100 0.000 2.286 281 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 281 I C 2.839 178.930 176.117 -0.043 0.000 1.115 281 I CA 1.604 62.872 61.300 -0.054 0.000 1.392 281 I CB -0.300 37.651 38.000 -0.081 0.000 1.065 281 I HN 0.543 nan 8.210 nan 0.000 0.418 282 S N 0.099 115.714 115.700 -0.141 0.000 2.423 282 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 282 S C 1.987 176.668 174.600 0.135 0.000 1.014 282 S CA 0.878 59.047 58.200 -0.051 0.000 0.965 282 S CB -0.823 62.304 63.200 -0.120 0.000 0.785 282 S HN 0.521 nan 8.310 nan 0.000 0.495 283 Y N 1.443 121.831 120.300 0.147 0.000 2.184 283 Y HA 0.126 4.676 4.550 -0.001 0.000 0.290 283 Y C 2.462 178.434 175.900 0.120 0.000 1.129 283 Y CA 0.536 58.715 58.100 0.133 0.000 1.144 283 Y CB -0.285 38.252 38.460 0.128 0.000 0.995 283 Y HN 0.198 nan 8.280 nan 0.000 0.513 284 L N -0.821 120.571 121.223 0.283 0.000 2.141 284 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 284 L C 2.235 179.214 176.870 0.182 0.000 1.094 284 L CA 0.975 55.980 54.840 0.274 0.000 0.763 284 L CB -0.482 41.742 42.059 0.276 0.000 0.908 284 L HN 0.105 nan 8.230 nan 0.000 0.437 285 S N -1.309 114.468 115.700 0.129 0.000 2.481 285 S HA -0.110 4.360 4.470 -0.001 0.000 0.231 285 S C 0.677 175.316 174.600 0.065 0.000 0.996 285 S CA 0.427 58.670 58.200 0.071 0.000 0.942 285 S CB -0.292 62.938 63.200 0.049 0.000 0.768 285 S HN 0.324 nan 8.310 nan 0.000 0.520 286 D N 1.196 121.664 120.400 0.112 0.000 2.522 286 D HA 0.505 5.144 4.640 -0.001 0.000 0.218 286 D C 0.267 176.599 176.300 0.053 0.000 1.149 286 D CA 0.108 54.172 54.000 0.106 0.000 0.981 286 D CB -0.346 40.553 40.800 0.166 0.000 1.041 286 D HN 0.292 nan 8.370 nan 0.000 0.518 287 G N 2.104 110.899 108.800 -0.008 0.000 2.428 287 G HA2 0.315 4.275 3.960 -0.001 0.000 0.305 287 G HA3 0.315 4.275 3.960 -0.001 0.000 0.305 287 G C -2.726 172.106 174.900 -0.113 0.000 1.260 287 G CA -0.874 44.187 45.100 -0.066 0.000 0.853 287 G HN 0.219 nan 8.290 nan 0.000 0.480 288 P HA 0.057 nan 4.420 nan 0.000 0.271 288 P C 0.528 177.713 177.300 -0.191 0.000 1.238 288 P CA -0.006 62.991 63.100 -0.172 0.000 0.794 288 P CB 1.107 32.685 31.700 -0.203 0.000 0.959 289 Q N 0.563 120.278 119.800 -0.141 0.000 2.112 289 Q HA -0.252 4.087 4.340 -0.001 0.000 0.206 289 Q C 2.078 177.990 176.000 -0.148 0.000 0.987 289 Q CA 2.732 58.465 55.803 -0.117 0.000 0.858 289 Q CB -0.181 28.509 28.738 -0.081 0.000 0.905 289 Q HN 0.546 nan 8.270 nan 0.000 0.420 290 E N -0.710 119.370 120.200 -0.201 0.000 2.153 290 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 290 E C 1.870 178.273 176.600 -0.328 0.000 0.988 290 E CA 0.961 57.233 56.400 -0.213 0.000 0.811 290 E CB -1.046 28.519 29.700 -0.224 0.000 0.746 290 E HN 0.610 nan 8.360 nan 0.000 0.466 291 A N 1.167 123.626 122.820 -0.600 0.000 1.873 291 A HA 0.095 4.414 4.320 -0.001 0.000 0.215 291 A C 2.517 179.973 177.584 -0.213 0.000 1.186 291 A CA 1.463 53.035 52.037 -0.775 0.000 0.616 291 A CB -0.653 17.820 19.000 -0.877 0.000 0.823 291 A HN 0.463 nan 8.150 nan 0.000 0.442 292 I N -0.678 119.797 120.570 -0.158 0.000 2.264 292 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 292 I C 2.755 178.856 176.117 -0.025 0.000 1.111 292 I CA 1.796 63.059 61.300 -0.062 0.000 1.382 292 I CB -0.247 37.715 38.000 -0.064 0.000 1.060 292 I HN 0.388 nan 8.210 nan 0.000 0.418 293 Q N 1.109 120.887 119.800 -0.036 0.000 2.119 293 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 293 Q C 2.140 178.169 176.000 0.049 0.000 0.972 293 Q CA 1.955 57.758 55.803 -0.000 0.000 0.847 293 Q CB -0.232 28.500 28.738 -0.009 0.000 0.903 293 Q HN 0.495 nan 8.270 nan 0.000 0.433 294 A N -0.836 122.045 122.820 0.102 0.000 1.930 294 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 294 A C 2.194 179.865 177.584 0.145 0.000 1.175 294 A CA 1.438 53.591 52.037 0.193 0.000 0.627 294 A CB -0.570 18.706 19.000 0.460 0.000 0.815 294 A HN 0.256 nan 8.150 nan 0.000 0.443 295 V N 0.146 120.135 119.914 0.125 0.000 2.379 295 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 295 V C 2.380 178.502 176.094 0.047 0.000 1.044 295 V CA 1.814 64.165 62.300 0.085 0.000 1.036 295 V CB -0.587 31.276 31.823 0.067 0.000 0.664 295 V HN 0.564 nan 8.190 nan 0.000 0.453 296 I N 0.104 120.694 120.570 0.034 0.000 2.252 296 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 296 I C 2.234 178.365 176.117 0.024 0.000 1.102 296 I CA 1.460 62.771 61.300 0.018 0.000 1.385 296 I CB -0.468 37.536 38.000 0.006 0.000 1.064 296 I HN 0.333 nan 8.210 nan 0.000 0.414 297 D N 0.514 120.934 120.400 0.035 0.000 2.178 297 D HA -0.105 4.534 4.640 -0.001 0.000 0.201 297 D C 1.993 178.310 176.300 0.028 0.000 0.980 297 D CA 1.133 55.152 54.000 0.032 0.000 0.842 297 D CB -0.008 40.816 40.800 0.041 0.000 0.948 297 D HN 0.192 nan 8.370 nan 0.000 0.472 298 V N 1.419 121.353 119.914 0.034 0.000 3.646 298 V HA -0.000 4.119 4.120 -0.001 0.000 0.277 298 V C 0.391 176.503 176.094 0.030 0.000 1.274 298 V CA 0.045 62.361 62.300 0.026 0.000 1.164 298 V CB -0.631 31.206 31.823 0.024 0.000 0.926 298 V HN 0.156 nan 8.190 nan 0.000 0.442 299 R N -1.294 119.224 120.500 0.030 0.000 3.651 299 R HA -0.208 4.132 4.340 -0.001 0.000 0.292 299 R C 0.871 177.202 176.300 0.052 0.000 1.161 299 R CA 0.728 56.849 56.100 0.036 0.000 0.787 299 R CB -2.702 27.619 30.300 0.036 0.000 1.249 299 R HN 0.449 nan 8.270 nan 0.000 0.476 300 I N 1.144 121.737 120.570 0.038 0.000 2.353 300 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 300 I C -0.314 175.801 176.117 -0.003 0.000 1.119 300 I CA 1.153 62.468 61.300 0.025 0.000 1.417 300 I CB -0.885 37.120 38.000 0.009 0.000 1.078 300 I HN 0.139 nan 8.210 nan 0.000 0.421 301 P HA -0.271 nan 4.420 nan 0.000 0.216 301 P C 1.508 178.793 177.300 -0.025 0.000 1.157 301 P CA 1.750 64.835 63.100 -0.024 0.000 0.880 301 P CB -0.173 31.515 31.700 -0.020 0.000 0.791 302 K N -0.234 120.165 120.400 -0.002 0.000 2.089 302 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 302 K C 2.468 179.056 176.600 -0.020 0.000 1.048 302 K CA 1.671 57.961 56.287 0.005 0.000 0.926 302 K CB -0.206 32.319 32.500 0.040 0.000 0.714 302 K HN -0.170 nan 8.250 nan 0.000 0.448 303 R N 0.986 121.460 120.500 -0.042 0.000 2.073 303 R HA 0.026 4.366 4.340 -0.001 0.000 0.229 303 R C 2.156 178.358 176.300 -0.163 0.000 1.120 303 R CA 1.255 57.253 56.100 -0.171 0.000 0.967 303 R CB -0.605 29.484 30.300 -0.351 0.000 0.862 303 R HN 0.285 nan 8.270 nan 0.000 0.436 304 L N -0.383 120.766 121.223 -0.123 0.000 2.042 304 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 304 L C 2.259 179.072 176.870 -0.095 0.000 1.076 304 L CA 1.260 56.029 54.840 -0.118 0.000 0.749 304 L CB -0.572 41.427 42.059 -0.100 0.000 0.893 304 L HN 0.030 nan 8.230 nan 0.000 0.432 305 V N -0.012 119.859 119.914 -0.072 0.000 2.295 305 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 305 V C 2.372 178.436 176.094 -0.050 0.000 1.049 305 V CA 1.944 64.212 62.300 -0.054 0.000 1.024 305 V CB -0.534 31.264 31.823 -0.041 0.000 0.648 305 V HN 0.493 nan 8.190 nan 0.000 0.447 306 E N 0.114 120.280 120.200 -0.056 0.000 2.110 306 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 306 E C 2.143 178.719 176.600 -0.041 0.000 0.988 306 E CA 1.098 57.470 56.400 -0.048 0.000 0.804 306 E CB -0.230 29.436 29.700 -0.058 0.000 0.745 306 E HN 0.502 nan 8.360 nan 0.000 0.458 307 L N 0.918 122.102 121.223 -0.066 0.000 2.362 307 L HA -0.117 4.222 4.340 -0.001 0.000 0.219 307 L C 2.160 179.021 176.870 -0.015 0.000 1.134 307 L CA 0.356 55.172 54.840 -0.039 0.000 0.807 307 L CB -0.269 41.719 42.059 -0.120 0.000 0.927 307 L HN 0.185 nan 8.230 nan 0.000 0.447 308 L N -0.440 120.763 121.223 -0.034 0.000 2.353 308 L HA -0.144 4.195 4.340 -0.001 0.000 0.220 308 L C 2.046 178.917 176.870 0.001 0.000 1.133 308 L CA 1.201 56.026 54.840 -0.025 0.000 0.798 308 L CB -0.379 41.662 42.059 -0.030 0.000 0.922 308 L HN 0.374 nan 8.230 nan 0.000 0.445 309 S N -3.056 112.650 115.700 0.009 0.000 2.575 309 S HA 0.055 4.524 4.470 -0.001 0.000 0.237 309 S C 0.573 175.183 174.600 0.016 0.000 0.975 309 S CA -0.623 57.581 58.200 0.007 0.000 0.960 309 S CB -0.417 62.777 63.200 -0.011 0.000 0.822 309 S HN 0.303 nan 8.310 nan 0.000 0.472 310 H N 2.921 121.963 119.070 -0.046 0.000 2.815 310 H HA 0.060 4.616 4.556 -0.001 0.000 0.350 310 H C 1.344 176.654 175.328 -0.029 0.000 1.080 310 H CA 1.280 57.302 56.048 -0.043 0.000 1.433 310 H CB 0.923 30.650 29.762 -0.058 0.000 1.432 310 H HN 0.626 nan 8.280 nan 0.000 0.592 311 E N 2.099 122.130 120.200 -0.282 0.000 2.331 311 E HA -0.119 4.230 4.350 -0.001 0.000 0.199 311 E C 0.231 176.871 176.600 0.067 0.000 1.008 311 E CA 0.505 56.848 56.400 -0.096 0.000 0.843 311 E CB 0.192 29.797 29.700 -0.159 0.000 0.761 311 E HN 0.197 nan 8.360 nan 0.000 0.507 312 S N 0.399 116.274 115.700 0.291 0.000 2.451 312 S HA 0.153 4.622 4.470 -0.001 0.000 0.301 312 S C 0.912 175.586 174.600 0.123 0.000 1.116 312 S CA -0.215 58.104 58.200 0.198 0.000 1.093 312 S CB 1.502 64.823 63.200 0.202 0.000 1.017 312 S HN 0.295 nan 8.310 nan 0.000 0.482 313 T N 3.562 118.158 114.554 0.069 0.000 3.072 313 T HA 0.025 4.374 4.350 -0.001 0.000 0.266 313 T C 1.696 176.411 174.700 0.026 0.000 1.127 313 T CA 0.622 62.747 62.100 0.042 0.000 1.107 313 T CB -0.425 68.469 68.868 0.042 0.000 0.910 313 T HN 0.613 nan 8.240 nan 0.000 0.513 314 L N 0.360 121.603 121.223 0.033 0.000 2.201 314 L HA 0.014 4.354 4.340 -0.001 0.000 0.212 314 L C 2.615 179.456 176.870 -0.048 0.000 1.105 314 L CA 0.607 55.470 54.840 0.039 0.000 0.775 314 L CB -0.366 41.724 42.059 0.053 0.000 0.913 314 L HN 0.226 nan 8.230 nan 0.000 0.440 315 V N -1.146 118.688 119.914 -0.132 0.000 2.575 315 V HA -0.136 3.983 4.120 -0.001 0.000 0.242 315 V C 2.277 178.235 176.094 -0.227 0.000 1.045 315 V CA 0.935 63.070 62.300 -0.276 0.000 1.065 315 V CB -0.155 31.324 31.823 -0.573 0.000 0.717 315 V HN 0.383 nan 8.190 nan 0.000 0.467 316 Q N 0.048 119.779 119.800 -0.115 0.000 2.096 316 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 316 Q C 2.329 178.252 176.000 -0.127 0.000 0.982 316 Q CA 2.297 58.049 55.803 -0.085 0.000 0.850 316 Q CB -0.411 28.317 28.738 -0.017 0.000 0.901 316 Q HN 0.624 nan 8.270 nan 0.000 0.422 317 T N 1.700 116.181 114.554 -0.121 0.000 2.622 317 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 317 T C -0.978 173.501 174.700 -0.368 0.000 1.047 317 T CA 1.797 63.818 62.100 -0.132 0.000 1.159 317 T CB -1.254 67.616 68.868 0.004 0.000 0.863 317 T HN 0.350 nan 8.240 nan 0.000 0.422 318 P HA -0.002 nan 4.420 nan 0.000 0.216 318 P C 1.492 178.426 177.300 -0.610 0.000 1.153 318 P CA 1.476 63.842 63.100 -1.223 0.000 0.848 318 P CB -0.183 30.410 31.700 -1.846 0.000 0.787 319 A N 0.163 122.729 122.820 -0.423 0.000 1.908 319 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 319 A C 2.268 179.748 177.584 -0.174 0.000 1.181 319 A CA 1.685 53.563 52.037 -0.264 0.000 0.627 319 A CB -1.679 17.195 19.000 -0.208 0.000 0.818 319 A HN 0.194 nan 8.150 nan 0.000 0.445 320 L N -0.447 120.691 121.223 -0.142 0.000 2.093 320 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 320 L C 2.337 179.214 176.870 0.012 0.000 1.085 320 L CA 2.322 57.132 54.840 -0.051 0.000 0.755 320 L CB -0.655 41.397 42.059 -0.011 0.000 0.904 320 L HN 0.395 nan 8.230 nan 0.000 0.435 321 R N 0.271 120.752 120.500 -0.031 0.000 2.073 321 R HA -0.061 4.278 4.340 -0.001 0.000 0.234 321 R C 2.167 178.519 176.300 0.087 0.000 1.134 321 R CA 1.819 57.971 56.100 0.087 0.000 0.952 321 R CB -1.002 29.274 30.300 -0.040 0.000 0.850 321 R HN 0.447 nan 8.270 nan 0.000 0.433 322 A N -0.171 122.616 122.820 -0.054 0.000 1.883 322 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 322 A C 2.377 179.946 177.584 -0.025 0.000 1.186 322 A CA 1.864 53.876 52.037 -0.042 0.000 0.624 322 A CB -0.876 18.058 19.000 -0.111 0.000 0.822 322 A HN 0.194 nan 8.150 nan 0.000 0.444 323 V N -0.030 119.855 119.914 -0.050 0.000 2.287 323 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 323 V C 2.817 178.847 176.094 -0.107 0.000 1.053 323 V CA 2.087 64.346 62.300 -0.070 0.000 1.027 323 V CB -1.491 30.288 31.823 -0.074 0.000 0.646 323 V HN 0.634 nan 8.190 nan 0.000 0.447 324 G N 0.222 108.965 108.800 -0.095 0.000 2.421 324 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 324 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 324 G C 1.399 176.117 174.900 -0.304 0.000 1.171 324 G CA 0.931 45.798 45.100 -0.388 0.000 0.775 324 G HN 0.534 nan 8.290 nan 0.000 0.543 325 N N 0.758 119.494 118.700 0.059 0.000 2.223 325 N HA -0.055 4.684 4.740 -0.001 0.000 0.185 325 N C 2.193 177.695 175.510 -0.012 0.000 1.016 325 N CA 0.793 53.907 53.050 0.106 0.000 0.863 325 N CB -0.218 38.362 38.487 0.155 0.000 0.983 325 N HN 0.380 nan 8.380 nan 0.000 0.429 326 I N 0.818 121.360 120.570 -0.046 0.000 2.315 326 I HA -0.154 4.015 4.170 -0.001 0.000 0.248 326 I C 1.711 177.773 176.117 -0.091 0.000 1.117 326 I CA 0.786 62.052 61.300 -0.058 0.000 1.404 326 I CB -0.233 37.735 38.000 -0.052 0.000 1.071 326 I HN -0.026 nan 8.210 nan 0.000 0.419 327 V N -1.675 118.152 119.914 -0.146 0.000 3.623 327 V HA -0.007 4.112 4.120 -0.001 0.000 0.274 327 V C 1.823 177.811 176.094 -0.176 0.000 1.244 327 V CA 1.200 63.401 62.300 -0.166 0.000 1.182 327 V CB -1.710 29.987 31.823 -0.210 0.000 0.925 327 V HN 0.517 nan 8.190 nan 0.000 0.462 328 T N -2.838 111.629 114.554 -0.146 0.000 3.107 328 T HA 0.364 4.713 4.350 -0.001 0.000 0.249 328 T C 1.079 175.737 174.700 -0.069 0.000 1.096 328 T CA 0.480 62.517 62.100 -0.106 0.000 1.012 328 T CB 0.004 68.849 68.868 -0.039 0.000 0.977 328 T HN 0.668 nan 8.240 nan 0.000 0.527 329 G N 2.279 111.037 108.800 -0.071 0.000 2.553 329 G HA2 0.430 4.389 3.960 -0.001 0.000 0.278 329 G HA3 0.430 4.389 3.960 -0.001 0.000 0.278 329 G C 0.039 174.907 174.900 -0.052 0.000 1.349 329 G CA -0.812 44.254 45.100 -0.057 0.000 1.037 329 G HN 0.631 nan 8.290 nan 0.000 0.508 330 N N -0.750 117.924 118.700 -0.043 0.000 2.317 330 N HA 0.057 4.797 4.740 -0.001 0.000 0.245 330 N C 0.554 176.042 175.510 -0.036 0.000 1.294 330 N CA -0.080 52.949 53.050 -0.036 0.000 0.924 330 N CB 0.521 38.990 38.487 -0.029 0.000 1.186 330 N HN 0.339 nan 8.380 nan 0.000 0.495 331 D N -0.755 119.628 120.400 -0.029 0.000 2.149 331 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 331 D C 1.683 177.966 176.300 -0.028 0.000 0.990 331 D CA 0.975 54.958 54.000 -0.028 0.000 0.839 331 D CB -0.158 40.630 40.800 -0.021 0.000 0.948 331 D HN 0.328 nan 8.370 nan 0.000 0.460 332 L N 1.080 122.289 121.223 -0.024 0.000 1.994 332 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 332 L C 2.483 179.338 176.870 -0.026 0.000 1.071 332 L CA 1.623 56.450 54.840 -0.022 0.000 0.745 332 L CB -0.665 41.384 42.059 -0.018 0.000 0.892 332 L HN 0.008 nan 8.230 nan 0.000 0.431 333 Q N -1.731 118.051 119.800 -0.030 0.000 2.124 333 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 333 Q C 1.972 177.948 176.000 -0.040 0.000 0.977 333 Q CA 1.982 57.765 55.803 -0.033 0.000 0.850 333 Q CB -0.381 28.334 28.738 -0.038 0.000 0.901 333 Q HN 0.484 nan 8.270 nan 0.000 0.429 334 T N 0.793 115.318 114.554 -0.047 0.000 2.788 334 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 334 T C 1.739 176.410 174.700 -0.048 0.000 1.044 334 T CA 1.410 63.475 62.100 -0.057 0.000 1.139 334 T CB -0.144 68.686 68.868 -0.063 0.000 0.867 334 T HN 0.165 nan 8.240 nan 0.000 0.454 335 Q N 0.833 120.611 119.800 -0.037 0.000 2.226 335 Q HA -0.033 4.306 4.340 -0.001 0.000 0.204 335 Q C 2.109 178.092 176.000 -0.028 0.000 0.975 335 Q CA 1.004 56.788 55.803 -0.031 0.000 0.866 335 Q CB -0.617 28.106 28.738 -0.025 0.000 0.915 335 Q HN 0.364 nan 8.270 nan 0.000 0.440 336 V N -0.807 119.090 119.914 -0.027 0.000 2.343 336 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 336 V C 2.135 178.213 176.094 -0.026 0.000 1.051 336 V CA 1.605 63.892 62.300 -0.022 0.000 1.036 336 V CB -0.479 31.333 31.823 -0.019 0.000 0.654 336 V HN 0.241 nan 8.190 nan 0.000 0.451 337 V N -0.167 119.725 119.914 -0.036 0.000 2.427 337 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 337 V C 2.156 178.226 176.094 -0.040 0.000 1.051 337 V CA 1.931 64.206 62.300 -0.042 0.000 1.048 337 V CB -0.528 31.260 31.823 -0.059 0.000 0.666 337 V HN 0.444 nan 8.190 nan 0.000 0.456 338 I N 0.771 121.317 120.570 -0.039 0.000 2.252 338 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 338 I C 2.227 178.328 176.117 -0.027 0.000 1.102 338 I CA 1.323 62.602 61.300 -0.035 0.000 1.385 338 I CB -0.519 37.460 38.000 -0.034 0.000 1.064 338 I HN 0.365 nan 8.210 nan 0.000 0.414 339 N N 1.384 120.069 118.700 -0.024 0.000 2.381 339 N HA -0.075 4.665 4.740 -0.001 0.000 0.182 339 N C 1.547 177.047 175.510 -0.016 0.000 1.025 339 N CA 1.206 54.245 53.050 -0.018 0.000 0.888 339 N CB -0.222 38.256 38.487 -0.015 0.000 0.965 339 N HN 0.311 nan 8.380 nan 0.000 0.438 340 A N 0.203 123.012 122.820 -0.018 0.000 2.276 340 A HA 0.410 4.730 4.320 -0.001 0.000 0.212 340 A C 1.322 178.895 177.584 -0.018 0.000 1.230 340 A CA 0.443 52.471 52.037 -0.015 0.000 0.844 340 A CB -0.594 18.396 19.000 -0.018 0.000 0.860 340 A HN 0.262 nan 8.150 nan 0.000 0.486 341 G N -1.249 107.539 108.800 -0.020 0.000 2.246 341 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.273 341 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.273 341 G C 0.850 175.736 174.900 -0.024 0.000 1.055 341 G CA 0.483 45.571 45.100 -0.020 0.000 0.851 341 G HN 0.948 nan 8.290 nan 0.000 0.500 342 V N -0.090 119.806 119.914 -0.030 0.000 2.515 342 V HA -0.034 4.086 4.120 -0.001 0.000 0.250 342 V C 2.724 178.799 176.094 -0.031 0.000 1.058 342 V CA 2.469 64.748 62.300 -0.035 0.000 1.064 342 V CB -0.208 31.586 31.823 -0.048 0.000 0.675 342 V HN 0.572 nan 8.190 nan 0.000 0.461 343 L N 0.242 121.448 121.223 -0.028 0.000 1.989 343 L HA -0.112 4.227 4.340 -0.001 0.000 0.211 343 L C 0.111 176.973 176.870 -0.014 0.000 1.071 343 L CA 1.928 56.754 54.840 -0.022 0.000 0.749 343 L CB -2.065 39.981 42.059 -0.021 0.000 0.890 343 L HN 0.337 nan 8.230 nan 0.000 0.431 344 P HA -0.123 nan 4.420 nan 0.000 0.218 344 P C 1.433 178.728 177.300 -0.008 0.000 1.149 344 P CA 1.568 64.662 63.100 -0.009 0.000 0.817 344 P CB 0.023 31.717 31.700 -0.010 0.000 0.785 345 A N -0.425 122.388 122.820 -0.012 0.000 1.873 345 A HA -0.146 4.174 4.320 -0.001 0.000 0.215 345 A C 2.156 179.735 177.584 -0.008 0.000 1.186 345 A CA 1.337 53.367 52.037 -0.012 0.000 0.616 345 A CB -1.649 17.340 19.000 -0.019 0.000 0.823 345 A HN 0.104 nan 8.150 nan 0.000 0.442 346 L N -1.015 120.201 121.223 -0.010 0.000 2.131 346 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 346 L C 2.761 179.634 176.870 0.005 0.000 1.092 346 L CA 1.524 56.361 54.840 -0.004 0.000 0.759 346 L CB -0.458 41.594 42.059 -0.012 0.000 0.903 346 L HN 0.464 nan 8.230 nan 0.000 0.435 347 R N 0.629 121.131 120.500 0.004 0.000 2.081 347 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 347 R C 2.272 178.578 176.300 0.010 0.000 1.131 347 R CA 1.394 57.499 56.100 0.009 0.000 0.960 347 R CB -0.148 30.156 30.300 0.007 0.000 0.856 347 R HN 0.338 nan 8.270 nan 0.000 0.436 348 L N 0.490 121.717 121.223 0.006 0.000 2.109 348 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 348 L C 2.342 179.218 176.870 0.010 0.000 1.086 348 L CA 0.816 55.660 54.840 0.007 0.000 0.760 348 L CB -0.305 41.755 42.059 0.002 0.000 0.910 348 L HN 0.259 nan 8.230 nan 0.000 0.437 349 L N -0.315 120.915 121.223 0.011 0.000 2.191 349 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 349 L C 2.380 179.265 176.870 0.024 0.000 1.103 349 L CA 0.897 55.748 54.840 0.017 0.000 0.769 349 L CB -0.448 41.622 42.059 0.018 0.000 0.908 349 L HN 0.322 nan 8.230 nan 0.000 0.438 350 L N -0.302 120.935 121.223 0.024 0.000 2.353 350 L HA -0.136 4.203 4.340 -0.001 0.000 0.220 350 L C 1.972 178.858 176.870 0.025 0.000 1.133 350 L CA 1.185 56.042 54.840 0.029 0.000 0.798 350 L CB -0.377 41.699 42.059 0.028 0.000 0.922 350 L HN 0.391 nan 8.230 nan 0.000 0.445 351 S N -2.751 112.961 115.700 0.020 0.000 2.664 351 S HA 0.102 4.571 4.470 -0.001 0.000 0.245 351 S C 0.557 175.167 174.600 0.018 0.000 1.019 351 S CA -0.564 57.647 58.200 0.018 0.000 0.996 351 S CB 0.278 63.486 63.200 0.014 0.000 0.878 351 S HN 0.189 nan 8.310 nan 0.000 0.493 352 S N 2.355 118.067 115.700 0.021 0.000 2.568 352 S HA 0.285 4.754 4.470 -0.001 0.000 0.282 352 S C -1.550 173.063 174.600 0.022 0.000 1.338 352 S CA -0.861 57.351 58.200 0.021 0.000 1.045 352 S CB 0.612 63.827 63.200 0.024 0.000 0.873 352 S HN 0.196 nan 8.310 nan 0.000 0.516 353 P HA 0.045 nan 4.420 nan 0.000 0.221 353 P C -0.444 176.870 177.300 0.024 0.000 1.150 353 P CA 0.914 64.026 63.100 0.020 0.000 0.800 353 P CB 0.170 31.882 31.700 0.019 0.000 0.787 354 K N 0.563 120.979 120.400 0.027 0.000 2.276 354 K HA 0.078 4.397 4.320 -0.001 0.000 0.285 354 K C 0.994 177.615 176.600 0.034 0.000 1.062 354 K CA -0.130 56.176 56.287 0.031 0.000 0.918 354 K CB 1.198 33.719 32.500 0.035 0.000 1.055 354 K HN -0.101 nan 8.250 nan 0.000 0.477 355 E N 2.710 122.929 120.200 0.033 0.000 2.118 355 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 355 E C 0.872 177.496 176.600 0.041 0.000 0.992 355 E CA 1.551 57.972 56.400 0.035 0.000 0.804 355 E CB 0.157 29.876 29.700 0.031 0.000 0.741 355 E HN 0.426 nan 8.360 nan 0.000 0.458 356 N N 0.034 118.758 118.700 0.041 0.000 2.381 356 N HA -0.104 4.635 4.740 -0.001 0.000 0.182 356 N C 1.458 177.001 175.510 0.054 0.000 1.025 356 N CA 0.697 53.774 53.050 0.045 0.000 0.888 356 N CB -0.027 38.488 38.487 0.046 0.000 0.965 356 N HN 0.251 nan 8.380 nan 0.000 0.438 357 I N 1.555 122.155 120.570 0.050 0.000 2.233 357 I HA -0.155 4.015 4.170 -0.001 0.000 0.243 357 I C 1.985 178.138 176.117 0.059 0.000 1.093 357 I CA 1.004 62.334 61.300 0.051 0.000 1.380 357 I CB -0.645 37.378 38.000 0.038 0.000 1.067 357 I HN 0.091 nan 8.210 nan 0.000 0.413 358 K N 0.728 121.160 120.400 0.054 0.000 2.057 358 K HA -0.218 4.101 4.320 -0.001 0.000 0.207 358 K C 2.120 178.767 176.600 0.078 0.000 1.049 358 K CA 1.265 57.587 56.287 0.058 0.000 0.931 358 K CB -0.118 32.411 32.500 0.048 0.000 0.714 358 K HN 0.214 nan 8.250 nan 0.000 0.440 359 K N 1.397 121.844 120.400 0.079 0.000 2.002 359 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 359 K C 2.080 178.770 176.600 0.150 0.000 1.048 359 K CA 1.750 58.096 56.287 0.098 0.000 0.930 359 K CB 0.136 32.677 32.500 0.068 0.000 0.714 359 K HN -0.065 nan 8.250 nan 0.000 0.438 360 E N -0.342 119.948 120.200 0.150 0.000 2.204 360 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 360 E C 1.810 178.569 176.600 0.265 0.000 0.989 360 E CA 0.737 57.294 56.400 0.261 0.000 0.824 360 E CB -0.234 29.589 29.700 0.204 0.000 0.756 360 E HN 0.577 nan 8.360 nan 0.000 0.477 361 A N 0.122 123.032 122.820 0.149 0.000 1.930 361 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 361 A C 2.449 180.086 177.584 0.088 0.000 1.175 361 A CA 1.393 53.486 52.037 0.092 0.000 0.627 361 A CB -0.935 18.101 19.000 0.060 0.000 0.815 361 A HN 0.568 nan 8.150 nan 0.000 0.443 362 C N -2.666 116.708 119.300 0.123 0.000 2.440 362 C HA -0.097 4.362 4.460 -0.001 0.000 0.278 362 C C 2.311 177.394 174.990 0.154 0.000 1.295 362 C CA 0.461 59.553 59.018 0.124 0.000 1.738 362 C CB -1.555 26.269 27.740 0.140 0.000 1.987 362 C HN 0.887 nan 8.230 nan 0.000 0.492 363 W N 2.050 123.362 121.300 0.021 0.000 2.335 363 W HA -0.162 4.498 4.660 -0.001 0.000 0.311 363 W C 2.263 178.769 176.519 -0.021 0.000 1.213 363 W CA 2.289 59.627 57.345 -0.011 0.000 1.274 363 W CB -0.899 28.543 29.460 -0.029 0.000 1.148 363 W HN 0.184 nan 8.180 nan 0.000 0.498 364 T N 1.471 115.875 114.554 -0.250 0.000 2.746 364 T HA -0.214 4.136 4.350 -0.001 0.000 0.267 364 T C 1.900 176.426 174.700 -0.290 0.000 1.039 364 T CA 2.187 64.010 62.100 -0.463 0.000 1.142 364 T CB -0.452 68.282 68.868 -0.223 0.000 0.866 364 T HN 0.180 nan 8.240 nan 0.000 0.444 365 I N 1.891 122.384 120.570 -0.127 0.000 2.286 365 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 365 I C 2.829 178.905 176.117 -0.068 0.000 1.115 365 I CA 1.360 62.616 61.300 -0.072 0.000 1.392 365 I CB -0.534 37.462 38.000 -0.007 0.000 1.065 365 I HN 0.341 nan 8.210 nan 0.000 0.418 366 S N 1.115 116.782 115.700 -0.054 0.000 2.383 366 S HA -0.182 4.288 4.470 -0.001 0.000 0.229 366 S C 1.705 176.261 174.600 -0.074 0.000 1.030 366 S CA 1.334 59.537 58.200 0.005 0.000 1.002 366 S CB -0.503 62.757 63.200 0.101 0.000 0.829 366 S HN 0.437 nan 8.310 nan 0.000 0.467 367 N N 1.146 119.708 118.700 -0.231 0.000 2.494 367 N HA 0.240 4.980 4.740 -0.001 0.000 0.182 367 N C 1.487 176.906 175.510 -0.153 0.000 1.076 367 N CA 0.737 53.648 53.050 -0.230 0.000 0.908 367 N CB -0.205 38.044 38.487 -0.397 0.000 0.967 367 N HN 0.542 nan 8.380 nan 0.000 0.449 368 I N 0.421 120.913 120.570 -0.130 0.000 2.494 368 I HA -0.120 4.050 4.170 -0.001 0.000 0.250 368 I C 1.912 178.003 176.117 -0.043 0.000 1.112 368 I CA 0.961 62.209 61.300 -0.086 0.000 1.438 368 I CB -0.324 37.626 38.000 -0.082 0.000 1.111 368 I HN 0.091 nan 8.210 nan 0.000 0.431 369 T N -0.825 113.717 114.554 -0.021 0.000 3.113 369 T HA 0.085 4.434 4.350 -0.001 0.000 0.263 369 T C 1.543 176.257 174.700 0.023 0.000 1.143 369 T CA 0.722 62.829 62.100 0.011 0.000 1.090 369 T CB -0.133 68.757 68.868 0.037 0.000 0.922 369 T HN 0.293 nan 8.240 nan 0.000 0.521 370 A N 0.793 123.619 122.820 0.010 0.000 2.251 370 A HA 0.632 4.952 4.320 -0.001 0.000 0.209 370 A C 1.510 179.097 177.584 0.005 0.000 1.187 370 A CA 0.135 52.186 52.037 0.024 0.000 0.823 370 A CB -0.680 18.328 19.000 0.014 0.000 0.846 370 A HN 0.603 nan 8.150 nan 0.000 0.486 371 G N 0.578 109.373 108.800 -0.009 0.000 2.504 371 G HA2 0.338 4.297 3.960 -0.001 0.000 0.257 371 G HA3 0.338 4.297 3.960 -0.001 0.000 0.257 371 G C 0.184 175.082 174.900 -0.004 0.000 1.451 371 G CA -0.049 45.043 45.100 -0.014 0.000 1.059 371 G HN 0.624 nan 8.290 nan 0.000 0.550 372 N N -1.846 116.850 118.700 -0.008 0.000 2.364 372 N HA 0.197 4.936 4.740 -0.001 0.000 0.264 372 N C 1.138 176.646 175.510 -0.002 0.000 1.263 372 N CA 0.311 53.359 53.050 -0.004 0.000 0.959 372 N CB -0.206 38.277 38.487 -0.007 0.000 1.204 372 N HN 0.243 nan 8.380 nan 0.000 0.550 373 T N -1.517 113.037 114.554 -0.001 0.000 2.665 373 T HA -0.263 4.087 4.350 -0.001 0.000 0.268 373 T C 1.544 176.240 174.700 -0.008 0.000 1.035 373 T CA 1.998 64.097 62.100 -0.001 0.000 1.151 373 T CB -0.520 68.348 68.868 -0.000 0.000 0.862 373 T HN 0.609 nan 8.240 nan 0.000 0.438 374 E N 1.123 121.316 120.200 -0.011 0.000 2.118 374 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 374 E C 2.244 178.832 176.600 -0.020 0.000 0.992 374 E CA 1.492 57.881 56.400 -0.017 0.000 0.804 374 E CB -0.461 29.230 29.700 -0.016 0.000 0.741 374 E HN 0.777 nan 8.360 nan 0.000 0.458 375 Q N -0.769 119.021 119.800 -0.018 0.000 2.172 375 Q HA 0.088 4.427 4.340 -0.001 0.000 0.200 375 Q C 2.491 178.481 176.000 -0.017 0.000 0.964 375 Q CA 1.419 57.209 55.803 -0.021 0.000 0.855 375 Q CB -0.157 28.567 28.738 -0.024 0.000 0.918 375 Q HN 0.479 nan 8.270 nan 0.000 0.444 376 I N 0.616 121.180 120.570 -0.009 0.000 2.315 376 I HA -0.268 3.902 4.170 -0.001 0.000 0.248 376 I C 2.482 178.594 176.117 -0.009 0.000 1.117 376 I CA 0.992 62.293 61.300 0.001 0.000 1.404 376 I CB -0.047 37.961 38.000 0.013 0.000 1.071 376 I HN 0.206 nan 8.210 nan 0.000 0.419 377 Q N 1.273 121.059 119.800 -0.023 0.000 2.119 377 Q HA -0.125 4.214 4.340 -0.001 0.000 0.201 377 Q C 2.159 178.126 176.000 -0.055 0.000 0.972 377 Q CA 2.022 57.796 55.803 -0.048 0.000 0.847 377 Q CB -0.259 28.451 28.738 -0.046 0.000 0.903 377 Q HN 0.471 nan 8.270 nan 0.000 0.433 378 A N -0.572 122.225 122.820 -0.039 0.000 1.908 378 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 378 A C 2.251 179.815 177.584 -0.034 0.000 1.181 378 A CA 1.720 53.735 52.037 -0.037 0.000 0.627 378 A CB -0.856 18.126 19.000 -0.030 0.000 0.818 378 A HN 0.274 nan 8.150 nan 0.000 0.445 379 V N 0.125 120.025 119.914 -0.023 0.000 2.427 379 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 379 V C 2.400 178.492 176.094 -0.004 0.000 1.051 379 V CA 1.898 64.193 62.300 -0.008 0.000 1.048 379 V CB -0.633 31.194 31.823 0.006 0.000 0.666 379 V HN 0.570 nan 8.190 nan 0.000 0.456 380 I N 0.175 120.728 120.570 -0.030 0.000 2.179 380 I HA -0.225 3.945 4.170 -0.001 0.000 0.242 380 I C 2.245 178.280 176.117 -0.138 0.000 1.088 380 I CA 1.642 62.887 61.300 -0.093 0.000 1.357 380 I CB -0.494 37.368 38.000 -0.231 0.000 1.051 380 I HN 0.336 nan 8.210 nan 0.000 0.409 381 D N 1.201 121.531 120.400 -0.118 0.000 2.219 381 D HA -0.101 4.539 4.640 -0.001 0.000 0.205 381 D C 1.964 178.232 176.300 -0.052 0.000 0.970 381 D CA 1.242 55.184 54.000 -0.097 0.000 0.851 381 D CB -0.086 40.668 40.800 -0.077 0.000 0.943 381 D HN 0.333 nan 8.370 nan 0.000 0.488 382 A N 0.733 123.533 122.820 -0.033 0.000 2.252 382 A HA -0.065 4.254 4.320 -0.001 0.000 0.207 382 A C 0.447 178.033 177.584 0.003 0.000 1.194 382 A CA -0.027 52.002 52.037 -0.014 0.000 0.809 382 A CB -0.383 18.610 19.000 -0.012 0.000 0.814 382 A HN 0.119 nan 8.150 nan 0.000 0.482 383 N N -1.249 117.458 118.700 0.012 0.000 2.735 383 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 383 N C 0.510 176.055 175.510 0.058 0.000 1.083 383 N CA 1.078 54.157 53.050 0.048 0.000 0.703 383 N CB -1.602 36.907 38.487 0.035 0.000 1.005 383 N HN 0.594 nan 8.380 nan 0.000 0.550 384 L N -0.510 120.748 121.223 0.058 0.000 2.375 384 L HA 0.063 4.403 4.340 -0.001 0.000 0.215 384 L C 2.147 179.059 176.870 0.070 0.000 1.108 384 L CA 0.139 55.011 54.840 0.053 0.000 0.830 384 L CB -0.089 41.992 42.059 0.038 0.000 0.959 384 L HN 0.163 nan 8.230 nan 0.000 0.457 385 I N 0.703 121.343 120.570 0.117 0.000 2.142 385 I HA -0.155 4.015 4.170 -0.001 0.000 0.240 385 I C 0.022 176.164 176.117 0.041 0.000 1.078 385 I CA 1.688 63.051 61.300 0.105 0.000 1.343 385 I CB -2.393 35.733 38.000 0.211 0.000 1.046 385 I HN 0.122 nan 8.210 nan 0.000 0.405 386 P HA -0.127 nan 4.420 nan 0.000 0.213 386 P C -1.177 176.127 177.300 0.008 0.000 1.170 386 P CA 2.245 65.350 63.100 0.007 0.000 0.902 386 P CB -1.315 30.400 31.700 0.026 0.000 0.789 387 P HA -0.122 nan 4.420 nan 0.000 0.220 387 P C 1.541 178.853 177.300 0.020 0.000 1.148 387 P CA 1.091 64.202 63.100 0.018 0.000 0.803 387 P CB -0.245 31.469 31.700 0.023 0.000 0.782 388 L N -0.117 121.121 121.223 0.025 0.000 2.056 388 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 388 L C 2.666 179.546 176.870 0.016 0.000 1.078 388 L CA 1.435 56.293 54.840 0.030 0.000 0.749 388 L CB -1.338 40.745 42.059 0.039 0.000 0.901 388 L HN -0.205 nan 8.230 nan 0.000 0.433 389 V N -0.842 119.071 119.914 -0.001 0.000 2.427 389 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 389 V C 2.584 178.669 176.094 -0.014 0.000 1.051 389 V CA 1.521 63.809 62.300 -0.019 0.000 1.048 389 V CB -0.525 31.269 31.823 -0.048 0.000 0.666 389 V HN 0.350 nan 8.190 nan 0.000 0.456 390 K N 0.365 120.760 120.400 -0.007 0.000 2.026 390 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 390 K C 1.915 178.517 176.600 0.004 0.000 1.048 390 K CA 1.556 57.841 56.287 -0.004 0.000 0.929 390 K CB -0.510 31.990 32.500 -0.000 0.000 0.713 390 K HN 0.386 nan 8.250 nan 0.000 0.439 391 L N 0.065 121.296 121.223 0.014 0.000 2.141 391 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 391 L C 2.162 179.045 176.870 0.022 0.000 1.094 391 L CA 0.442 55.295 54.840 0.022 0.000 0.763 391 L CB -0.432 41.648 42.059 0.034 0.000 0.908 391 L HN 0.189 nan 8.230 nan 0.000 0.437 392 L N 0.515 121.748 121.223 0.017 0.000 2.131 392 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 392 L C 2.460 179.332 176.870 0.004 0.000 1.092 392 L CA 1.887 56.735 54.840 0.013 0.000 0.759 392 L CB -0.425 41.636 42.059 0.003 0.000 0.903 392 L HN 0.435 nan 8.230 nan 0.000 0.435 393 E N -1.552 118.647 120.200 -0.001 0.000 2.307 393 E HA -0.016 4.333 4.350 -0.001 0.000 0.195 393 E C 1.446 178.046 176.600 -0.000 0.000 0.975 393 E CA 1.120 57.517 56.400 -0.005 0.000 0.878 393 E CB -0.107 29.585 29.700 -0.014 0.000 0.845 393 E HN 0.375 nan 8.360 nan 0.000 0.488 394 V N -2.620 117.297 119.914 0.004 0.000 3.398 394 V HA 0.553 4.673 4.120 -0.001 0.000 0.298 394 V C 0.796 176.898 176.094 0.012 0.000 1.496 394 V CA -0.158 62.146 62.300 0.007 0.000 1.044 394 V CB 0.359 32.184 31.823 0.004 0.000 0.880 394 V HN 0.255 nan 8.190 nan 0.000 0.443 395 A N 0.964 123.795 122.820 0.018 0.000 2.296 395 A HA 0.537 4.857 4.320 -0.001 0.000 0.264 395 A C 0.359 177.958 177.584 0.024 0.000 1.097 395 A CA -0.349 51.702 52.037 0.023 0.000 0.811 395 A CB 0.024 19.043 19.000 0.031 0.000 1.072 395 A HN 0.624 nan 8.150 nan 0.000 0.495 396 E N -0.051 120.165 120.200 0.027 0.000 2.418 396 E HA -0.002 4.347 4.350 -0.001 0.000 0.261 396 E C -0.118 176.501 176.600 0.032 0.000 1.070 396 E CA -0.153 56.263 56.400 0.026 0.000 0.931 396 E CB 0.353 30.069 29.700 0.026 0.000 0.954 396 E HN 0.611 nan 8.360 nan 0.000 0.439 397 D N 2.055 122.473 120.400 0.029 0.000 2.154 397 D HA -0.265 4.374 4.640 -0.001 0.000 0.190 397 D C 1.870 178.198 176.300 0.048 0.000 1.003 397 D CA 2.099 56.119 54.000 0.034 0.000 0.849 397 D CB -0.106 40.712 40.800 0.029 0.000 0.942 397 D HN 0.542 nan 8.370 nan 0.000 0.446 398 K N -0.291 120.136 120.400 0.045 0.000 2.074 398 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 398 K C 1.967 178.610 176.600 0.072 0.000 1.048 398 K CA 1.760 58.080 56.287 0.054 0.000 0.926 398 K CB -0.749 31.773 32.500 0.037 0.000 0.713 398 K HN 0.026 nan 8.250 nan 0.000 0.444 399 T N 1.214 115.806 114.554 0.065 0.000 2.812 399 T HA -0.039 4.310 4.350 -0.001 0.000 0.264 399 T C 1.680 176.432 174.700 0.087 0.000 1.042 399 T CA 1.339 63.485 62.100 0.077 0.000 1.140 399 T CB -0.060 68.844 68.868 0.061 0.000 0.870 399 T HN 0.317 nan 8.240 nan 0.000 0.445 400 K N 1.140 121.581 120.400 0.068 0.000 2.063 400 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 400 K C 2.370 179.021 176.600 0.084 0.000 1.048 400 K CA 1.190 57.514 56.287 0.062 0.000 0.928 400 K CB -0.099 32.425 32.500 0.039 0.000 0.713 400 K HN 0.313 nan 8.250 nan 0.000 0.442 401 K N 0.712 121.175 120.400 0.106 0.000 2.063 401 K HA -0.192 4.127 4.320 -0.001 0.000 0.208 401 K C 2.113 178.883 176.600 0.282 0.000 1.048 401 K CA 1.390 57.771 56.287 0.156 0.000 0.928 401 K CB -0.053 32.553 32.500 0.177 0.000 0.713 401 K HN 0.026 nan 8.250 nan 0.000 0.442 402 E N 0.709 121.068 120.200 0.266 0.000 2.072 402 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 402 E C 1.809 178.568 176.600 0.266 0.000 0.985 402 E CA 1.289 57.878 56.400 0.316 0.000 0.801 402 E CB -0.182 29.660 29.700 0.237 0.000 0.750 402 E HN 0.322 nan 8.360 nan 0.000 0.452 403 A N -0.093 122.830 122.820 0.171 0.000 1.933 403 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 403 A C 2.527 180.179 177.584 0.112 0.000 1.175 403 A CA 1.486 53.596 52.037 0.122 0.000 0.628 403 A CB -1.168 17.879 19.000 0.078 0.000 0.814 403 A HN 0.500 nan 8.150 nan 0.000 0.444 404 C N -1.720 117.638 119.300 0.097 0.000 2.432 404 C HA -0.145 4.315 4.460 -0.001 0.000 0.277 404 C C 2.372 177.378 174.990 0.026 0.000 1.249 404 C CA 1.146 60.173 59.018 0.016 0.000 1.725 404 C CB -1.651 26.053 27.740 -0.061 0.000 2.028 404 C HN 0.747 nan 8.230 nan 0.000 0.477 405 W N 1.024 122.354 121.300 0.050 0.000 2.335 405 W HA -0.096 4.562 4.660 -0.002 0.000 0.311 405 W C 2.706 179.248 176.519 0.038 0.000 1.213 405 W CA 1.984 59.361 57.345 0.053 0.000 1.274 405 W CB -0.686 28.825 29.460 0.084 0.000 1.148 405 W HN 0.428 nan 8.180 nan 0.000 0.498 406 A N 0.341 123.326 122.820 0.276 0.000 1.851 406 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 406 A C 1.866 179.515 177.584 0.108 0.000 1.195 406 A CA 2.124 54.256 52.037 0.158 0.000 0.622 406 A CB -1.145 17.923 19.000 0.114 0.000 0.831 406 A HN 0.281 nan 8.150 nan 0.000 0.444 407 I N -0.724 119.894 120.570 0.080 0.000 2.208 407 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 407 I C 2.845 178.982 176.117 0.033 0.000 1.097 407 I CA 1.557 62.885 61.300 0.046 0.000 1.363 407 I CB -0.278 37.733 38.000 0.019 0.000 1.051 407 I HN 0.422 nan 8.210 nan 0.000 0.413 408 S N 0.960 116.673 115.700 0.021 0.000 2.355 408 S HA -0.156 4.313 4.470 -0.001 0.000 0.222 408 S C 1.852 176.475 174.600 0.038 0.000 1.031 408 S CA 1.539 59.733 58.200 -0.009 0.000 0.993 408 S CB -0.240 62.898 63.200 -0.102 0.000 0.859 408 S HN 0.411 nan 8.310 nan 0.000 0.453 409 N N 1.882 120.643 118.700 0.100 0.000 2.166 409 N HA -0.002 4.738 4.740 -0.001 0.000 0.186 409 N C 1.818 177.371 175.510 0.072 0.000 1.019 409 N CA 1.266 54.384 53.050 0.114 0.000 0.856 409 N CB -0.796 37.783 38.487 0.154 0.000 0.993 409 N HN 0.501 nan 8.380 nan 0.000 0.426 410 A N 0.891 123.750 122.820 0.065 0.000 1.933 410 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 410 A C 2.409 180.021 177.584 0.048 0.000 1.175 410 A CA 1.948 54.018 52.037 0.055 0.000 0.628 410 A CB -0.753 18.285 19.000 0.063 0.000 0.814 410 A HN 0.459 nan 8.150 nan 0.000 0.444 411 S N -0.341 115.381 115.700 0.038 0.000 2.399 411 S HA -0.118 4.351 4.470 -0.001 0.000 0.231 411 S C 1.859 176.475 174.600 0.026 0.000 1.022 411 S CA 1.529 59.745 58.200 0.027 0.000 0.983 411 S CB -0.721 62.484 63.200 0.008 0.000 0.803 411 S HN 0.408 nan 8.310 nan 0.000 0.480 412 S N 1.420 117.138 115.700 0.030 0.000 2.465 412 S HA 0.060 4.529 4.470 -0.001 0.000 0.241 412 S C 1.788 176.406 174.600 0.029 0.000 1.000 412 S CA 0.910 59.128 58.200 0.031 0.000 0.964 412 S CB -0.730 62.495 63.200 0.041 0.000 0.763 412 S HN 0.806 nan 8.310 nan 0.000 0.512 413 G N 0.759 109.577 108.800 0.031 0.000 2.712 413 G HA2 0.169 4.129 3.960 -0.001 0.000 0.212 413 G HA3 0.169 4.129 3.960 -0.001 0.000 0.212 413 G C 1.269 176.185 174.900 0.025 0.000 1.142 413 G CA 0.433 45.549 45.100 0.027 0.000 0.789 413 G HN 0.530 nan 8.290 nan 0.000 0.535 414 G N 0.922 109.739 108.800 0.028 0.000 2.470 414 G HA2 0.067 4.027 3.960 -0.001 0.000 0.220 414 G HA3 0.067 4.027 3.960 -0.001 0.000 0.220 414 G C 1.834 176.747 174.900 0.022 0.000 1.121 414 G CA 1.410 46.526 45.100 0.027 0.000 0.766 414 G HN 0.682 nan 8.290 nan 0.000 0.553 415 L N -0.689 120.546 121.223 0.020 0.000 2.131 415 L HA 0.296 4.636 4.340 -0.001 0.000 0.210 415 L C 2.863 179.743 176.870 0.017 0.000 1.092 415 L CA 2.848 57.700 54.840 0.019 0.000 0.759 415 L CB -1.682 40.390 42.059 0.020 0.000 0.903 415 L HN 0.559 nan 8.230 nan 0.000 0.435 416 Q N -0.445 119.364 119.800 0.016 0.000 2.339 416 Q HA 0.214 4.553 4.340 -0.001 0.000 0.205 416 Q C 1.565 177.572 176.000 0.012 0.000 0.925 416 Q CA 0.682 56.492 55.803 0.012 0.000 0.898 416 Q CB 0.075 28.820 28.738 0.011 0.000 1.013 416 Q HN 0.826 nan 8.270 nan 0.000 0.504 417 R N 0.389 120.898 120.500 0.015 0.000 2.797 417 R HA 0.199 4.538 4.340 -0.001 0.000 0.274 417 R C -2.320 173.994 176.300 0.023 0.000 1.652 417 R CA -1.458 54.651 56.100 0.015 0.000 1.175 417 R CB 1.981 32.288 30.300 0.011 0.000 1.283 417 R HN 0.174 nan 8.270 nan 0.000 0.513 418 P HA -0.218 nan 4.420 nan 0.000 0.216 418 P C 0.329 177.652 177.300 0.040 0.000 1.154 418 P CA 1.388 64.504 63.100 0.027 0.000 0.865 418 P CB 0.448 32.161 31.700 0.022 0.000 0.789 419 D N -0.494 119.930 120.400 0.039 0.000 2.271 419 D HA -0.119 4.521 4.640 -0.001 0.000 0.207 419 D C 1.972 178.325 176.300 0.090 0.000 0.983 419 D CA 0.677 54.712 54.000 0.057 0.000 0.878 419 D CB -0.718 40.105 40.800 0.038 0.000 0.920 419 D HN 0.253 nan 8.370 nan 0.000 0.479 420 I N 0.188 120.803 120.570 0.074 0.000 2.315 420 I HA -0.217 3.953 4.170 -0.001 0.000 0.248 420 I C 1.882 178.075 176.117 0.127 0.000 1.117 420 I CA 0.484 61.848 61.300 0.106 0.000 1.404 420 I CB -0.060 37.980 38.000 0.068 0.000 1.071 420 I HN 0.058 nan 8.210 nan 0.000 0.419 421 I N 0.808 121.426 120.570 0.080 0.000 2.252 421 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 421 I C 2.630 178.786 176.117 0.065 0.000 1.102 421 I CA 1.493 62.828 61.300 0.058 0.000 1.385 421 I CB -1.223 36.798 38.000 0.035 0.000 1.064 421 I HN 0.263 nan 8.210 nan 0.000 0.414 422 R N -0.172 120.377 120.500 0.082 0.000 2.091 422 R HA -0.243 4.096 4.340 -0.001 0.000 0.238 422 R C 2.384 178.739 176.300 0.093 0.000 1.136 422 R CA 1.695 57.847 56.100 0.086 0.000 0.959 422 R CB -0.774 29.580 30.300 0.090 0.000 0.856 422 R HN 0.309 nan 8.270 nan 0.000 0.437 423 Y N 1.855 122.162 120.300 0.013 0.000 2.114 423 Y HA -0.162 4.388 4.550 -0.001 0.000 0.284 423 Y C 2.021 177.920 175.900 -0.000 0.000 1.143 423 Y CA 1.364 59.468 58.100 0.005 0.000 1.135 423 Y CB -0.404 38.058 38.460 0.003 0.000 0.980 423 Y HN -0.079 nan 8.280 nan 0.000 0.499 424 L N -1.040 120.124 121.223 -0.097 0.000 2.043 424 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 424 L C 2.348 179.100 176.870 -0.196 0.000 1.075 424 L CA 1.496 56.230 54.840 -0.176 0.000 0.752 424 L CB -0.930 41.112 42.059 -0.029 0.000 0.891 424 L HN 0.143 nan 8.230 nan 0.000 0.432 425 V N -0.214 119.634 119.914 -0.111 0.000 2.358 425 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 425 V C 2.674 178.662 176.094 -0.177 0.000 1.047 425 V CA 1.897 64.134 62.300 -0.104 0.000 1.035 425 V CB -0.580 31.250 31.823 0.013 0.000 0.658 425 V HN 0.642 nan 8.190 nan 0.000 0.452 426 S N -0.301 115.300 115.700 -0.166 0.000 2.419 426 S HA -0.218 4.251 4.470 -0.001 0.000 0.233 426 S C 1.681 176.141 174.600 -0.234 0.000 1.016 426 S CA 0.993 59.093 58.200 -0.166 0.000 0.974 426 S CB -0.349 62.795 63.200 -0.094 0.000 0.786 426 S HN 0.575 nan 8.310 nan 0.000 0.492 427 Q N 0.882 120.477 119.800 -0.342 0.000 2.365 427 Q HA 0.276 4.615 4.340 -0.001 0.000 0.203 427 Q C 1.216 177.089 176.000 -0.211 0.000 0.929 427 Q CA 0.566 56.181 55.803 -0.314 0.000 0.948 427 Q CB -0.176 28.277 28.738 -0.473 0.000 1.043 427 Q HN 0.815 nan 8.270 nan 0.000 0.505 428 G N 1.301 109.978 108.800 -0.205 0.000 2.198 428 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.257 428 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.257 428 G C 0.928 175.747 174.900 -0.136 0.000 1.042 428 G CA 0.373 45.368 45.100 -0.174 0.000 0.791 428 G HN 0.543 nan 8.290 nan 0.000 0.502 429 C N -1.630 117.591 119.300 -0.131 0.000 2.464 429 C HA 0.357 4.817 4.460 -0.001 0.000 0.278 429 C C 2.565 177.512 174.990 -0.072 0.000 1.375 429 C CA 0.883 59.847 59.018 -0.090 0.000 1.761 429 C CB -1.029 26.664 27.740 -0.079 0.000 1.944 429 C HN 0.545 nan 8.230 nan 0.000 0.509 430 I N 1.746 122.268 120.570 -0.081 0.000 2.127 430 I HA -0.230 3.940 4.170 -0.001 0.000 0.241 430 I C 3.115 179.206 176.117 -0.044 0.000 1.075 430 I CA 2.309 63.579 61.300 -0.049 0.000 1.334 430 I CB -0.673 37.304 38.000 -0.038 0.000 1.040 430 I HN 0.388 nan 8.210 nan 0.000 0.405 431 K N 0.973 121.335 120.400 -0.063 0.000 2.009 431 K HA -0.145 4.175 4.320 -0.001 0.000 0.210 431 K C -0.430 176.147 176.600 -0.037 0.000 1.049 431 K CA 1.888 58.147 56.287 -0.048 0.000 0.929 431 K CB -1.593 30.872 32.500 -0.060 0.000 0.714 431 K HN 0.273 nan 8.250 nan 0.000 0.440 432 P HA -0.037 nan 4.420 nan 0.000 0.216 432 P C 1.537 178.820 177.300 -0.029 0.000 1.153 432 P CA 1.246 64.327 63.100 -0.031 0.000 0.848 432 P CB -0.084 31.596 31.700 -0.032 0.000 0.787 433 L N -1.205 119.998 121.223 -0.033 0.000 1.989 433 L HA -0.237 4.102 4.340 -0.001 0.000 0.211 433 L C 2.532 179.384 176.870 -0.031 0.000 1.071 433 L CA 1.688 56.507 54.840 -0.035 0.000 0.749 433 L CB -1.222 40.815 42.059 -0.037 0.000 0.890 433 L HN 0.086 nan 8.230 nan 0.000 0.431 434 C N -0.068 119.217 119.300 -0.025 0.000 2.413 434 C HA -0.189 4.270 4.460 -0.001 0.000 0.277 434 C C 2.412 177.390 174.990 -0.021 0.000 1.228 434 C CA 0.660 59.666 59.018 -0.021 0.000 1.731 434 C CB -0.945 26.785 27.740 -0.016 0.000 2.042 434 C HN 0.560 nan 8.230 nan 0.000 0.468 435 D N 0.579 120.967 120.400 -0.019 0.000 2.190 435 D HA -0.133 4.506 4.640 -0.001 0.000 0.200 435 D C 1.729 178.020 176.300 -0.015 0.000 0.992 435 D CA 0.944 54.935 54.000 -0.015 0.000 0.854 435 D CB -0.517 40.274 40.800 -0.015 0.000 0.936 435 D HN 0.356 nan 8.370 nan 0.000 0.462 436 L N 0.417 121.628 121.223 -0.019 0.000 2.376 436 L HA 0.017 4.356 4.340 -0.001 0.000 0.219 436 L C 1.838 178.694 176.870 -0.023 0.000 1.133 436 L CA 0.772 55.600 54.840 -0.020 0.000 0.816 436 L CB -0.271 41.772 42.059 -0.027 0.000 0.933 436 L HN 0.019 nan 8.230 nan 0.000 0.449 437 L N -0.792 120.417 121.223 -0.024 0.000 2.349 437 L HA -0.184 4.156 4.340 -0.001 0.000 0.220 437 L C 1.525 178.386 176.870 -0.015 0.000 1.130 437 L CA 1.006 55.832 54.840 -0.023 0.000 0.791 437 L CB -0.430 41.616 42.059 -0.021 0.000 0.918 437 L HN 0.351 nan 8.230 nan 0.000 0.444 438 E N -0.443 119.751 120.200 -0.011 0.000 2.419 438 E HA 0.062 4.411 4.350 -0.001 0.000 0.190 438 E C 0.176 176.774 176.600 -0.003 0.000 1.040 438 E CA -0.338 56.058 56.400 -0.006 0.000 0.900 438 E CB 0.476 30.174 29.700 -0.004 0.000 1.054 438 E HN 0.154 nan 8.360 nan 0.000 0.462 439 I N 0.651 121.219 120.570 -0.004 0.000 2.662 439 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 439 I C 0.483 176.603 176.117 0.004 0.000 1.046 439 I CA -0.231 61.070 61.300 0.002 0.000 1.361 439 I CB 1.079 39.081 38.000 0.002 0.000 1.429 439 I HN 0.194 nan 8.210 nan 0.000 0.558 440 A N 4.809 127.634 122.820 0.009 0.000 3.117 440 A HA 0.380 4.699 4.320 -0.001 0.000 0.255 440 A C 0.104 177.698 177.584 0.016 0.000 1.583 440 A CA 0.013 52.056 52.037 0.010 0.000 1.234 440 A CB -0.828 18.178 19.000 0.010 0.000 1.076 440 A HN 0.848 nan 8.150 nan 0.000 0.653 441 D N -0.080 120.330 120.400 0.017 0.000 2.470 441 D HA 0.108 4.747 4.640 -0.001 0.000 0.233 441 D C -0.136 176.176 176.300 0.020 0.000 1.372 441 D CA -0.423 53.593 54.000 0.027 0.000 0.994 441 D CB 0.741 41.565 40.800 0.040 0.000 1.377 441 D HN 0.149 nan 8.370 nan 0.000 0.586 442 N N 1.987 120.701 118.700 0.023 0.000 2.244 442 N HA -0.168 4.572 4.740 -0.001 0.000 0.183 442 N C 2.057 177.578 175.510 0.018 0.000 1.016 442 N CA 1.411 54.472 53.050 0.018 0.000 0.866 442 N CB -0.101 38.400 38.487 0.023 0.000 0.980 442 N HN 0.591 nan 8.380 nan 0.000 0.430 443 R N 1.424 121.952 120.500 0.047 0.000 2.105 443 R HA -0.040 4.300 4.340 -0.001 0.000 0.239 443 R C 2.048 178.338 176.300 -0.017 0.000 1.135 443 R CA 1.151 57.294 56.100 0.073 0.000 0.967 443 R CB -1.240 29.164 30.300 0.174 0.000 0.861 443 R HN 0.135 nan 8.270 nan 0.000 0.442 444 I N 0.657 121.212 120.570 -0.026 0.000 2.500 444 I HA -0.042 4.128 4.170 -0.001 0.000 0.252 444 I C 2.434 178.467 176.117 -0.139 0.000 1.142 444 I CA 0.726 61.950 61.300 -0.127 0.000 1.451 444 I CB -0.819 37.153 38.000 -0.047 0.000 1.093 444 I HN 0.256 nan 8.210 nan 0.000 0.430 445 I N 0.824 121.351 120.570 -0.073 0.000 2.226 445 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 445 I C 2.414 178.484 176.117 -0.078 0.000 1.100 445 I CA 1.340 62.603 61.300 -0.061 0.000 1.374 445 I CB -0.324 37.660 38.000 -0.027 0.000 1.057 445 I HN 0.264 nan 8.210 nan 0.000 0.413 446 E N 0.469 120.622 120.200 -0.078 0.000 2.051 446 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 446 E C 2.323 178.834 176.600 -0.150 0.000 0.991 446 E CA 1.479 57.832 56.400 -0.079 0.000 0.799 446 E CB -0.121 29.550 29.700 -0.048 0.000 0.748 446 E HN 0.268 nan 8.360 nan 0.000 0.449 447 V N 1.200 120.946 119.914 -0.280 0.000 2.392 447 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 447 V C 2.264 178.187 176.094 -0.285 0.000 1.059 447 V CA 2.184 64.216 62.300 -0.447 0.000 1.051 447 V CB -0.714 30.549 31.823 -0.932 0.000 0.658 447 V HN 0.351 nan 8.190 nan 0.000 0.455 448 T N 0.166 114.593 114.554 -0.212 0.000 2.812 448 T HA -0.015 4.335 4.350 -0.001 0.000 0.264 448 T C 1.882 176.530 174.700 -0.088 0.000 1.042 448 T CA 1.179 63.198 62.100 -0.135 0.000 1.140 448 T CB -0.220 68.588 68.868 -0.101 0.000 0.870 448 T HN 0.299 nan 8.240 nan 0.000 0.445 449 L N 0.983 122.162 121.223 -0.074 0.000 2.083 449 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 449 L C 2.435 179.284 176.870 -0.036 0.000 1.083 449 L CA 1.083 55.900 54.840 -0.038 0.000 0.752 449 L CB -0.583 41.464 42.059 -0.021 0.000 0.899 449 L HN 0.167 nan 8.230 nan 0.000 0.433 450 D N 0.272 120.638 120.400 -0.057 0.000 2.117 450 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 450 D C 2.244 178.518 176.300 -0.043 0.000 0.987 450 D CA 1.522 55.496 54.000 -0.042 0.000 0.829 450 D CB 0.000 40.768 40.800 -0.054 0.000 0.961 450 D HN 0.300 nan 8.370 nan 0.000 0.460 451 A N 0.829 123.612 122.820 -0.062 0.000 1.877 451 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 451 A C 2.416 179.974 177.584 -0.044 0.000 1.186 451 A CA 0.943 52.950 52.037 -0.049 0.000 0.620 451 A CB -0.846 18.117 19.000 -0.060 0.000 0.822 451 A HN 0.210 nan 8.150 nan 0.000 0.443 452 L N -0.806 120.391 121.223 -0.044 0.000 2.131 452 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 452 L C 2.618 179.441 176.870 -0.079 0.000 1.092 452 L CA 1.771 56.587 54.840 -0.039 0.000 0.759 452 L CB -0.445 41.605 42.059 -0.015 0.000 0.903 452 L HN 0.627 nan 8.230 nan 0.000 0.435 453 E N 0.244 120.402 120.200 -0.069 0.000 2.107 453 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 453 E C 1.853 178.387 176.600 -0.110 0.000 0.982 453 E CA 0.769 57.107 56.400 -0.104 0.000 0.809 453 E CB 0.180 29.877 29.700 -0.005 0.000 0.756 453 E HN 0.452 nan 8.360 nan 0.000 0.459 454 N N 0.713 119.379 118.700 -0.058 0.000 2.223 454 N HA -0.129 4.610 4.740 -0.001 0.000 0.185 454 N C 1.905 177.382 175.510 -0.056 0.000 1.016 454 N CA 0.998 54.026 53.050 -0.037 0.000 0.863 454 N CB -0.092 38.387 38.487 -0.014 0.000 0.983 454 N HN 0.326 nan 8.380 nan 0.000 0.429 455 I N 0.702 121.228 120.570 -0.074 0.000 2.353 455 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 455 I C 2.061 178.095 176.117 -0.139 0.000 1.119 455 I CA 0.558 61.818 61.300 -0.067 0.000 1.417 455 I CB -0.101 37.877 38.000 -0.037 0.000 1.078 455 I HN 0.027 nan 8.210 nan 0.000 0.421 456 L N 0.527 121.578 121.223 -0.286 0.000 2.017 456 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 456 L C 2.590 179.189 176.870 -0.452 0.000 1.073 456 L CA 1.540 56.014 54.840 -0.608 0.000 0.745 456 L CB -0.529 40.741 42.059 -1.315 0.000 0.894 456 L HN 0.148 nan 8.230 nan 0.000 0.432 457 K N -0.563 119.690 120.400 -0.245 0.000 2.032 457 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 457 K C 2.172 178.783 176.600 0.018 0.000 1.048 457 K CA 1.569 57.873 56.287 0.028 0.000 0.927 457 K CB -0.225 32.311 32.500 0.059 0.000 0.712 457 K HN 0.193 nan 8.250 nan 0.000 0.441 458 M N 0.661 120.250 119.600 -0.017 0.000 2.080 458 M HA -0.127 4.353 4.480 -0.001 0.000 0.260 458 M C 2.035 178.330 176.300 -0.008 0.000 1.068 458 M CA 2.040 57.339 55.300 -0.003 0.000 1.109 458 M CB -1.051 31.549 32.600 -0.000 0.000 1.342 458 M HN 0.233 nan 8.290 nan 0.000 0.405 459 G N -0.434 108.345 108.800 -0.034 0.000 2.442 459 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.219 459 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.219 459 G C 1.342 176.229 174.900 -0.022 0.000 1.141 459 G CA 1.300 46.374 45.100 -0.043 0.000 0.763 459 G HN 0.563 nan 8.290 nan 0.000 0.554 460 E N 0.991 121.204 120.200 0.022 0.000 2.047 460 E HA 0.077 4.426 4.350 -0.001 0.000 0.191 460 E C 2.711 179.328 176.600 0.028 0.000 0.987 460 E CA 1.372 57.812 56.400 0.066 0.000 0.799 460 E CB -0.604 29.223 29.700 0.211 0.000 0.752 460 E HN 0.260 nan 8.360 nan 0.000 0.449 461 A N 0.899 123.736 122.820 0.029 0.000 1.933 461 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 461 A C 2.153 179.738 177.584 0.003 0.000 1.175 461 A CA 1.871 53.916 52.037 0.015 0.000 0.628 461 A CB -0.799 18.212 19.000 0.018 0.000 0.814 461 A HN 0.413 nan 8.150 nan 0.000 0.444 462 D N -0.285 120.114 120.400 -0.002 0.000 2.117 462 D HA -0.184 4.456 4.640 -0.001 0.000 0.197 462 D C 1.948 178.239 176.300 -0.015 0.000 0.987 462 D CA 1.583 55.578 54.000 -0.008 0.000 0.829 462 D CB -0.138 40.655 40.800 -0.011 0.000 0.961 462 D HN 0.543 nan 8.370 nan 0.000 0.460 463 K N 0.446 120.834 120.400 -0.022 0.000 2.002 463 K HA -0.207 4.113 4.320 -0.001 0.000 0.209 463 K C 2.347 178.933 176.600 -0.023 0.000 1.048 463 K CA 2.123 58.392 56.287 -0.029 0.000 0.930 463 K CB -0.196 32.282 32.500 -0.036 0.000 0.714 463 K HN 0.110 nan 8.250 nan 0.000 0.438 464 E N 0.610 120.800 120.200 -0.018 0.000 2.085 464 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 464 E C 1.900 178.492 176.600 -0.014 0.000 0.994 464 E CA 1.594 57.984 56.400 -0.017 0.000 0.801 464 E CB -1.002 28.690 29.700 -0.013 0.000 0.743 464 E HN 0.603 nan 8.360 nan 0.000 0.453 465 A N 0.732 123.546 122.820 -0.010 0.000 1.883 465 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 465 A C 2.243 179.821 177.584 -0.010 0.000 1.186 465 A CA 2.381 54.413 52.037 -0.008 0.000 0.624 465 A CB -0.240 18.758 19.000 -0.005 0.000 0.822 465 A HN 0.789 nan 8.150 nan 0.000 0.444 466 R N -1.477 119.015 120.500 -0.013 0.000 3.220 466 R HA 0.512 4.851 4.340 -0.001 0.000 0.324 466 R C 0.927 177.217 176.300 -0.017 0.000 1.283 466 R CA 0.298 56.389 56.100 -0.013 0.000 1.387 466 R CB -1.359 28.933 30.300 -0.012 0.000 1.413 466 R HN 1.665 nan 8.270 nan 0.000 0.610 467 G N -0.427 108.363 108.800 -0.017 0.000 2.429 467 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.314 467 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.314 467 G C 0.694 175.579 174.900 -0.024 0.000 0.957 467 G CA 1.216 46.304 45.100 -0.020 0.000 0.806 467 G HN 1.240 nan 8.290 nan 0.000 0.511 468 L N -2.833 118.373 121.223 -0.028 0.000 2.479 468 L HA 0.834 5.173 4.340 -0.001 0.000 0.248 468 L C 1.432 178.280 176.870 -0.038 0.000 1.205 468 L CA 0.888 55.708 54.840 -0.034 0.000 0.817 468 L CB -0.247 41.787 42.059 -0.041 0.000 1.162 468 L HN 1.105 nan 8.230 nan 0.000 0.486 469 N N -0.972 117.703 118.700 -0.042 0.000 2.159 469 N HA 0.628 5.367 4.740 -0.001 0.000 0.217 469 N C -0.014 175.463 175.510 -0.055 0.000 1.223 469 N CA 0.899 53.922 53.050 -0.045 0.000 0.896 469 N CB 0.187 38.651 38.487 -0.039 0.000 1.064 469 N HN 2.107 nan 8.380 nan 0.000 0.518 470 I N 0.294 120.826 120.570 -0.063 0.000 2.465 470 I HA 0.640 4.810 4.170 -0.001 0.000 0.291 470 I C -0.486 175.573 176.117 -0.096 0.000 1.014 470 I CA -1.307 59.945 61.300 -0.079 0.000 1.093 470 I CB 1.391 39.343 38.000 -0.081 0.000 1.267 470 I HN 0.306 nan 8.210 nan 0.000 0.431 471 N N 3.879 122.513 118.700 -0.109 0.000 2.402 471 N HA 0.132 4.871 4.740 -0.001 0.000 0.252 471 N C 0.932 176.335 175.510 -0.178 0.000 1.118 471 N CA 0.229 53.208 53.050 -0.118 0.000 0.945 471 N CB 1.066 39.492 38.487 -0.102 0.000 1.147 471 N HN 0.808 nan 8.380 nan 0.000 0.495 472 E N 2.435 122.505 120.200 -0.216 0.000 2.097 472 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 472 E C 0.714 177.002 176.600 -0.520 0.000 1.000 472 E CA 1.238 57.398 56.400 -0.400 0.000 0.804 472 E CB 0.154 29.629 29.700 -0.374 0.000 0.740 472 E HN 0.597 nan 8.360 nan 0.000 0.454 473 N N 0.214 118.767 118.700 -0.245 0.000 2.396 473 N HA -0.064 4.675 4.740 -0.001 0.000 0.180 473 N C 1.483 176.985 175.510 -0.014 0.000 1.028 473 N CA 0.951 53.968 53.050 -0.054 0.000 0.893 473 N CB -0.051 38.441 38.487 0.008 0.000 0.967 473 N HN 0.129 nan 8.380 nan 0.000 0.440 474 A N 0.635 123.390 122.820 -0.108 0.000 1.930 474 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 474 A C 1.976 179.618 177.584 0.097 0.000 1.176 474 A CA 1.054 53.042 52.037 -0.082 0.000 0.632 474 A CB -0.231 18.553 19.000 -0.360 0.000 0.819 474 A HN 0.081 nan 8.150 nan 0.000 0.445 475 D N -0.937 119.438 120.400 -0.042 0.000 2.144 475 D HA -0.074 4.565 4.640 -0.001 0.000 0.200 475 D C 1.680 178.046 176.300 0.110 0.000 0.978 475 D CA 0.908 54.903 54.000 -0.008 0.000 0.833 475 D CB -0.150 40.560 40.800 -0.149 0.000 0.961 475 D HN 0.569 nan 8.370 nan 0.000 0.470 476 F N 0.705 120.683 119.950 0.045 0.000 2.102 476 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 476 F C 2.550 178.377 175.800 0.045 0.000 1.105 476 F CA 0.278 58.296 58.000 0.030 0.000 1.239 476 F CB -0.020 38.985 39.000 0.008 0.000 0.991 476 F HN -0.091 nan 8.300 nan 0.000 0.474 477 I N 0.233 120.975 120.570 0.288 0.000 2.179 477 I HA -0.312 3.857 4.170 -0.001 0.000 0.242 477 I C 2.451 178.647 176.117 0.132 0.000 1.088 477 I CA 1.652 63.071 61.300 0.197 0.000 1.357 477 I CB -0.533 37.629 38.000 0.269 0.000 1.051 477 I HN 0.205 nan 8.210 nan 0.000 0.409 478 E N 1.628 121.940 120.200 0.187 0.000 2.077 478 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 478 E C 2.106 178.746 176.600 0.068 0.000 0.989 478 E CA 1.388 57.845 56.400 0.095 0.000 0.800 478 E CB 0.084 29.888 29.700 0.173 0.000 0.746 478 E HN 0.396 nan 8.360 nan 0.000 0.452 479 K N -0.167 120.297 120.400 0.108 0.000 2.211 479 K HA -0.032 4.288 4.320 -0.001 0.000 0.203 479 K C 1.891 178.525 176.600 0.056 0.000 1.050 479 K CA 0.855 57.194 56.287 0.086 0.000 0.945 479 K CB 0.047 32.624 32.500 0.128 0.000 0.732 479 K HN 0.121 nan 8.250 nan 0.000 0.451 480 A N 0.512 123.367 122.820 0.058 0.000 2.238 480 A HA 0.165 4.484 4.320 -0.001 0.000 0.208 480 A C 1.446 179.034 177.584 0.006 0.000 1.177 480 A CA 0.838 52.888 52.037 0.022 0.000 0.804 480 A CB -0.396 18.614 19.000 0.017 0.000 0.823 480 A HN 0.412 nan 8.150 nan 0.000 0.482 481 G N -2.162 106.640 108.800 0.004 0.000 2.159 481 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.256 481 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.256 481 G C 1.221 176.101 174.900 -0.033 0.000 0.977 481 G CA 0.658 45.750 45.100 -0.014 0.000 0.652 481 G HN 1.233 nan 8.290 nan 0.000 0.531 482 G N 0.050 108.829 108.800 -0.035 0.000 2.408 482 G HA2 0.036 3.996 3.960 -0.001 0.000 0.217 482 G HA3 0.036 3.996 3.960 -0.001 0.000 0.217 482 G C 1.639 176.453 174.900 -0.143 0.000 1.150 482 G CA 1.674 46.739 45.100 -0.057 0.000 0.776 482 G HN 0.659 nan 8.290 nan 0.000 0.542 483 M N 0.832 120.280 119.600 -0.253 0.000 2.065 483 M HA -0.075 4.404 4.480 -0.001 0.000 0.259 483 M C 2.797 178.950 176.300 -0.244 0.000 1.069 483 M CA 2.529 57.516 55.300 -0.522 0.000 1.110 483 M CB -0.378 31.860 32.600 -0.603 0.000 1.328 483 M HN 0.360 nan 8.290 nan 0.000 0.405 484 E N 1.005 121.133 120.200 -0.120 0.000 2.085 484 E HA -0.261 4.089 4.350 -0.001 0.000 0.194 484 E C 1.798 178.430 176.600 0.054 0.000 0.994 484 E CA 2.113 58.512 56.400 -0.000 0.000 0.801 484 E CB -0.922 28.777 29.700 -0.003 0.000 0.743 484 E HN 0.750 nan 8.360 nan 0.000 0.453 485 K N -0.493 119.905 120.400 -0.002 0.000 2.057 485 K HA 0.050 4.369 4.320 -0.001 0.000 0.206 485 K C 2.383 178.983 176.600 0.001 0.000 1.050 485 K CA 1.339 57.627 56.287 0.002 0.000 0.935 485 K CB -0.282 32.209 32.500 -0.014 0.000 0.715 485 K HN 0.399 nan 8.250 nan 0.000 0.439 486 I N 0.467 121.022 120.570 -0.024 0.000 2.179 486 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 486 I C 2.297 178.435 176.117 0.034 0.000 1.088 486 I CA 1.131 62.422 61.300 -0.014 0.000 1.357 486 I CB -0.309 37.658 38.000 -0.056 0.000 1.051 486 I HN 0.058 nan 8.210 nan 0.000 0.409 487 F N 2.579 122.472 119.950 -0.095 0.000 2.120 487 F HA -0.285 4.242 4.527 -0.000 0.000 0.300 487 F C 2.312 178.117 175.800 0.007 0.000 1.095 487 F CA 1.763 59.738 58.000 -0.042 0.000 1.249 487 F CB -0.552 38.410 39.000 -0.064 0.000 0.995 487 F HN 0.133 nan 8.300 nan 0.000 0.480 488 N N -0.317 118.339 118.700 -0.074 0.000 2.309 488 N HA -0.159 4.580 4.740 -0.001 0.000 0.182 488 N C 1.902 177.344 175.510 -0.114 0.000 1.018 488 N CA 1.477 54.444 53.050 -0.138 0.000 0.876 488 N CB -1.043 37.431 38.487 -0.021 0.000 0.972 488 N HN 0.337 nan 8.380 nan 0.000 0.434 489 C N 1.257 120.519 119.300 -0.062 0.000 2.430 489 C HA -0.022 4.438 4.460 -0.001 0.000 0.288 489 C C 2.330 177.323 174.990 0.004 0.000 1.448 489 C CA 0.168 59.172 59.018 -0.022 0.000 1.784 489 C CB -1.096 26.641 27.740 -0.004 0.000 1.776 489 C HN 0.481 nan 8.230 nan 0.000 0.547 490 Q N -0.006 119.769 119.800 -0.042 0.000 2.436 490 Q HA -0.111 4.228 4.340 -0.001 0.000 0.209 490 Q C 1.767 177.843 176.000 0.127 0.000 0.965 490 Q CA 0.775 56.633 55.803 0.091 0.000 0.910 490 Q CB -0.061 28.657 28.738 -0.033 0.000 0.980 490 Q HN 0.688 nan 8.270 nan 0.000 0.491 491 Q N 0.093 119.874 119.800 -0.031 0.000 2.360 491 Q HA 0.077 4.416 4.340 -0.001 0.000 0.202 491 Q C 0.136 176.114 176.000 -0.036 0.000 0.915 491 Q CA -0.026 55.744 55.803 -0.056 0.000 0.943 491 Q CB 0.030 28.716 28.738 -0.088 0.000 1.064 491 Q HN 0.261 nan 8.270 nan 0.000 0.511 492 N N 1.470 120.174 118.700 0.005 0.000 2.483 492 N HA -0.031 4.708 4.740 -0.001 0.000 0.264 492 N C 0.995 176.498 175.510 -0.012 0.000 1.197 492 N CA 0.849 53.903 53.050 0.006 0.000 0.927 492 N CB 1.002 39.508 38.487 0.031 0.000 1.065 492 N HN 0.293 nan 8.380 nan 0.000 0.461 493 E N 2.773 122.958 120.200 -0.026 0.000 2.333 493 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 493 E C 0.742 177.328 176.600 -0.024 0.000 1.007 493 E CA 0.643 57.017 56.400 -0.043 0.000 0.845 493 E CB -0.361 29.319 29.700 -0.034 0.000 0.766 493 E HN 0.696 nan 8.360 nan 0.000 0.507 494 N N 1.169 119.873 118.700 0.007 0.000 2.470 494 N HA -0.031 4.708 4.740 -0.001 0.000 0.268 494 N C -0.312 175.236 175.510 0.063 0.000 1.136 494 N CA 0.099 53.166 53.050 0.028 0.000 0.961 494 N CB 1.080 39.587 38.487 0.034 0.000 1.067 494 N HN 0.162 nan 8.380 nan 0.000 0.468 495 D N 2.689 123.124 120.400 0.059 0.000 2.117 495 D HA -0.166 4.473 4.640 -0.001 0.000 0.198 495 D C 1.471 177.859 176.300 0.146 0.000 0.982 495 D CA 1.031 55.099 54.000 0.113 0.000 0.828 495 D CB -0.045 40.798 40.800 0.072 0.000 0.967 495 D HN 0.487 nan 8.370 nan 0.000 0.464 496 K N 0.834 121.287 120.400 0.089 0.000 2.032 496 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 496 K C 2.248 178.890 176.600 0.069 0.000 1.048 496 K CA 0.484 56.813 56.287 0.070 0.000 0.927 496 K CB -0.676 31.855 32.500 0.052 0.000 0.712 496 K HN 0.119 nan 8.250 nan 0.000 0.441 497 I N 0.030 120.644 120.570 0.074 0.000 2.142 497 I HA -0.175 3.994 4.170 -0.001 0.000 0.240 497 I C 2.370 178.539 176.117 0.087 0.000 1.078 497 I CA 1.909 63.247 61.300 0.063 0.000 1.343 497 I CB -1.484 36.550 38.000 0.056 0.000 1.046 497 I HN 0.377 nan 8.210 nan 0.000 0.405 498 Y N 2.438 122.740 120.300 0.004 0.000 2.081 498 Y HA -0.365 4.184 4.550 -0.001 0.000 0.280 498 Y C 2.782 178.714 175.900 0.053 0.000 1.163 498 Y CA 3.078 61.181 58.100 0.006 0.000 1.135 498 Y CB -0.920 37.523 38.460 -0.028 0.000 0.970 498 Y HN 0.317 nan 8.280 nan 0.000 0.498 499 E N 0.432 120.567 120.200 -0.108 0.000 2.085 499 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 499 E C 2.244 178.809 176.600 -0.058 0.000 0.994 499 E CA 2.771 59.085 56.400 -0.143 0.000 0.801 499 E CB -1.303 28.401 29.700 0.006 0.000 0.743 499 E HN 0.673 nan 8.360 nan 0.000 0.453 500 K N 0.329 120.722 120.400 -0.012 0.000 1.985 500 K HA 0.335 4.655 4.320 -0.001 0.000 0.210 500 K C 2.789 179.402 176.600 0.022 0.000 1.047 500 K CA 2.012 58.309 56.287 0.017 0.000 0.932 500 K CB -1.282 31.230 32.500 0.020 0.000 0.716 500 K HN 0.886 nan 8.250 nan 0.000 0.439 501 A N -0.137 122.688 122.820 0.008 0.000 1.892 501 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 501 A C 2.296 179.903 177.584 0.038 0.000 1.188 501 A CA 2.123 54.175 52.037 0.026 0.000 0.631 501 A CB -0.853 18.155 19.000 0.012 0.000 0.822 501 A HN 0.741 nan 8.150 nan 0.000 0.447 502 Y N 0.913 121.101 120.300 -0.187 0.000 2.081 502 Y HA -0.251 4.299 4.550 0.000 0.000 0.280 502 Y C 2.817 178.683 175.900 -0.058 0.000 1.163 502 Y CA 3.352 61.339 58.100 -0.188 0.000 1.135 502 Y CB -0.733 37.448 38.460 -0.465 0.000 0.970 502 Y HN 0.360 nan 8.280 nan 0.000 0.498 503 K N 0.670 121.044 120.400 -0.042 0.000 2.063 503 K HA -0.146 4.174 4.320 -0.001 0.000 0.208 503 K C 2.117 178.708 176.600 -0.016 0.000 1.048 503 K CA 2.077 58.321 56.287 -0.071 0.000 0.928 503 K CB -1.489 31.027 32.500 0.027 0.000 0.713 503 K HN 0.621 nan 8.250 nan 0.000 0.442 504 I N 0.344 120.976 120.570 0.103 0.000 2.163 504 I HA -0.249 3.921 4.170 -0.001 0.000 0.243 504 I C 2.406 178.729 176.117 0.344 0.000 1.085 504 I CA 1.061 62.536 61.300 0.290 0.000 1.347 504 I CB -0.254 37.900 38.000 0.257 0.000 1.044 504 I HN 0.235 nan 8.210 nan 0.000 0.408 505 I N 0.877 121.574 120.570 0.212 0.000 2.142 505 I HA -0.247 3.922 4.170 -0.001 0.000 0.240 505 I C 2.732 178.905 176.117 0.093 0.000 1.078 505 I CA 1.545 62.994 61.300 0.247 0.000 1.343 505 I CB -1.256 36.851 38.000 0.179 0.000 1.046 505 I HN 0.186 nan 8.210 nan 0.000 0.405 506 E N -0.101 120.006 120.200 -0.154 0.000 2.204 506 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 506 E C 2.137 178.616 176.600 -0.202 0.000 0.989 506 E CA 1.215 57.478 56.400 -0.229 0.000 0.824 506 E CB -0.639 28.786 29.700 -0.458 0.000 0.756 506 E HN 0.632 nan 8.360 nan 0.000 0.477 507 T N -0.470 113.945 114.554 -0.231 0.000 2.901 507 T HA 0.017 4.366 4.350 -0.001 0.000 0.252 507 T C 1.275 175.584 174.700 -0.651 0.000 1.035 507 T CA 0.962 62.779 62.100 -0.471 0.000 1.142 507 T CB -0.198 68.281 68.868 -0.649 0.000 0.869 507 T HN 0.469 nan 8.240 nan 0.000 0.442 508 Y N -0.774 119.414 120.300 -0.187 0.000 2.442 508 Y HA 0.488 5.037 4.550 -0.001 0.000 0.250 508 Y C 0.303 175.766 175.900 -0.728 0.000 1.113 508 Y CA -0.875 56.946 58.100 -0.466 0.000 1.273 508 Y CB 0.365 38.452 38.460 -0.621 0.000 1.138 508 Y HN 0.093 nan 8.280 nan 0.000 0.522 509 F N 0.000 119.984 119.950 0.057 0.000 2.286 509 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 509 F CA 0.000 58.007 58.000 0.012 0.000 1.383 509 F CB 0.000 39.013 39.000 0.022 0.000 1.145 509 F HN 0.000 nan 8.300 nan 0.000 0.574