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_B 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 0.000 175.971 176.000 -0.049 0.000 1.003 87 Q CA 0.000 55.780 55.803 -0.039 0.000 1.022 87 Q CB 0.000 28.718 28.738 -0.033 0.000 1.108 88 E N 0.570 120.726 120.200 -0.073 0.000 2.472 88 E HA 0.201 4.551 4.350 0.000 0.000 0.196 88 E C 1.187 177.718 176.600 -0.116 0.000 1.033 88 E CA 0.369 56.716 56.400 -0.089 0.000 0.886 88 E CB 0.177 29.812 29.700 -0.107 0.000 0.944 88 E HN 0.754 nan 8.360 nan 0.000 0.492 89 L N 1.044 122.198 121.223 -0.114 0.000 2.013 89 L HA -0.166 4.175 4.340 0.000 0.000 0.212 89 L C -0.713 176.138 176.870 -0.031 0.000 1.073 89 L CA 1.609 56.383 54.840 -0.110 0.000 0.753 89 L CB -1.249 40.781 42.059 -0.048 0.000 0.890 89 L HN 0.201 nan 8.230 nan 0.000 0.432 90 P HA -0.212 nan 4.420 nan 0.000 0.215 90 P C 1.404 178.715 177.300 0.019 0.000 1.157 90 P CA 1.132 64.241 63.100 0.015 0.000 0.868 90 P CB 0.063 31.766 31.700 0.005 0.000 0.788 91 Q N -0.693 119.105 119.800 -0.004 0.000 2.079 91 Q HA -0.111 4.229 4.340 0.000 0.000 0.200 91 Q C 2.107 178.116 176.000 0.016 0.000 0.974 91 Q CA 1.817 57.621 55.803 0.002 0.000 0.840 91 Q CB -1.013 27.715 28.738 -0.016 0.000 0.898 91 Q HN 0.148 nan 8.270 nan 0.000 0.430 92 M N -0.802 118.783 119.600 -0.025 0.000 2.082 92 M HA -0.204 4.276 4.480 0.000 0.000 0.258 92 M C 2.014 178.441 176.300 0.213 0.000 1.069 92 M CA 2.129 57.416 55.300 -0.022 0.000 1.102 92 M CB -0.539 31.841 32.600 -0.367 0.000 1.336 92 M HN 0.172 nan 8.290 nan 0.000 0.404 93 T N -0.700 114.002 114.554 0.245 0.000 2.746 93 T HA -0.214 4.136 4.350 0.000 0.000 0.267 93 T C 1.832 176.628 174.700 0.160 0.000 1.039 93 T CA 1.774 64.045 62.100 0.286 0.000 1.142 93 T CB -0.375 68.617 68.868 0.206 0.000 0.866 93 T HN 0.450 nan 8.240 nan 0.000 0.444 94 Q N 0.720 120.585 119.800 0.108 0.000 2.079 94 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 94 Q C 2.413 178.464 176.000 0.086 0.000 0.974 94 Q CA 1.795 57.643 55.803 0.075 0.000 0.840 94 Q CB -0.512 28.256 28.738 0.050 0.000 0.898 94 Q HN 0.754 nan 8.270 nan 0.000 0.430 95 Q N -0.859 118.998 119.800 0.095 0.000 2.124 95 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 95 Q C 2.181 178.264 176.000 0.139 0.000 0.977 95 Q CA 1.650 57.510 55.803 0.094 0.000 0.850 95 Q CB -0.214 28.570 28.738 0.077 0.000 0.901 95 Q HN 0.487 nan 8.270 nan 0.000 0.429 96 L N 1.014 122.358 121.223 0.201 0.000 2.131 96 L HA -0.134 4.206 4.340 0.000 0.000 0.210 96 L C 1.141 178.150 176.870 0.232 0.000 1.092 96 L CA 1.516 56.516 54.840 0.266 0.000 0.759 96 L CB -0.128 42.090 42.059 0.264 0.000 0.903 96 L HN 0.185 nan 8.230 nan 0.000 0.435 97 N N -1.034 117.747 118.700 0.134 0.000 2.322 97 N HA 0.024 4.764 4.740 0.000 0.000 0.194 97 N C 0.422 175.987 175.510 0.092 0.000 1.126 97 N CA 0.185 53.288 53.050 0.089 0.000 0.845 97 N CB 0.133 38.644 38.487 0.040 0.000 0.976 97 N HN 0.237 nan 8.380 nan 0.000 0.475 98 S N 0.487 116.250 115.700 0.105 0.000 2.592 98 S HA 0.085 4.555 4.470 0.000 0.000 0.271 98 S C 0.795 175.443 174.600 0.081 0.000 1.326 98 S CA -0.416 57.830 58.200 0.076 0.000 1.024 98 S CB 1.062 64.299 63.200 0.063 0.000 0.921 98 S HN 0.066 nan 8.310 nan 0.000 0.527 99 D N 1.204 121.638 120.400 0.055 0.000 2.363 99 D HA 0.002 4.642 4.640 0.000 0.000 0.220 99 D C 0.070 176.390 176.300 0.033 0.000 0.994 99 D CA 0.452 54.482 54.000 0.050 0.000 0.890 99 D CB -0.040 40.781 40.800 0.035 0.000 0.906 99 D HN 0.618 nan 8.370 nan 0.000 0.530 100 D N 1.210 121.627 120.400 0.028 0.000 2.336 100 D HA -0.011 4.629 4.640 0.000 0.000 0.249 100 D C 1.285 177.580 176.300 -0.007 0.000 1.213 100 D CA -0.193 53.813 54.000 0.010 0.000 0.870 100 D CB 1.122 41.928 40.800 0.011 0.000 1.076 100 D HN -0.051 nan 8.370 nan 0.000 0.483 101 M N 3.074 122.659 119.600 -0.024 0.000 2.082 101 M HA -0.305 4.175 4.480 0.000 0.000 0.258 101 M C 2.172 178.432 176.300 -0.067 0.000 1.069 101 M CA 1.847 57.111 55.300 -0.060 0.000 1.102 101 M CB -0.040 32.530 32.600 -0.051 0.000 1.336 101 M HN 0.447 nan 8.290 nan 0.000 0.404 102 Q N 0.044 119.821 119.800 -0.039 0.000 2.119 102 Q HA -0.164 4.176 4.340 0.000 0.000 0.201 102 Q C 1.762 177.747 176.000 -0.026 0.000 0.972 102 Q CA 2.178 57.961 55.803 -0.033 0.000 0.847 102 Q CB -0.489 28.238 28.738 -0.019 0.000 0.903 102 Q HN 0.826 nan 8.270 nan 0.000 0.433 103 E N 0.232 120.425 120.200 -0.012 0.000 2.106 103 E HA -0.164 4.186 4.350 0.000 0.000 0.192 103 E C 2.233 178.844 176.600 0.018 0.000 0.984 103 E CA 1.372 57.777 56.400 0.008 0.000 0.806 103 E CB -0.377 29.336 29.700 0.023 0.000 0.750 103 E HN 0.835 nan 8.360 nan 0.000 0.458 104 Q N -0.391 119.403 119.800 -0.011 0.000 2.084 104 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 104 Q C 2.399 178.347 176.000 -0.087 0.000 0.978 104 Q CA 1.410 57.192 55.803 -0.035 0.000 0.844 104 Q CB -0.330 28.277 28.738 -0.218 0.000 0.898 104 Q HN 0.263 nan 8.270 nan 0.000 0.426 105 L N 0.640 121.791 121.223 -0.121 0.000 2.017 105 L HA -0.140 4.200 4.340 0.000 0.000 0.208 105 L C 2.207 179.064 176.870 -0.022 0.000 1.073 105 L CA 1.826 56.611 54.840 -0.091 0.000 0.745 105 L CB -0.736 41.274 42.059 -0.082 0.000 0.894 105 L HN 0.005 nan 8.230 nan 0.000 0.432 106 S N -0.100 115.592 115.700 -0.013 0.000 2.365 106 S HA -0.234 4.236 4.470 0.000 0.000 0.225 106 S C 2.080 176.690 174.600 0.016 0.000 1.039 106 S CA 1.365 59.562 58.200 -0.005 0.000 1.033 106 S CB -0.723 62.472 63.200 -0.009 0.000 0.887 106 S HN 0.691 nan 8.310 nan 0.000 0.447 107 A N 1.009 123.866 122.820 0.061 0.000 1.902 107 A HA -0.111 4.209 4.320 0.000 0.000 0.217 107 A C 2.339 180.081 177.584 0.263 0.000 1.181 107 A CA 2.063 54.183 52.037 0.139 0.000 0.623 107 A CB -1.327 17.806 19.000 0.223 0.000 0.818 107 A HN 0.489 nan 8.150 nan 0.000 0.443 108 T N -0.314 114.378 114.554 0.231 0.000 2.788 108 T HA -0.111 4.239 4.350 0.000 0.000 0.268 108 T C 1.858 176.648 174.700 0.151 0.000 1.044 108 T CA 1.544 63.797 62.100 0.254 0.000 1.139 108 T CB -0.382 68.586 68.868 0.167 0.000 0.867 108 T HN 0.160 nan 8.240 nan 0.000 0.454 109 V N 1.380 121.326 119.914 0.053 0.000 2.343 109 V HA -0.161 3.959 4.120 0.000 0.000 0.247 109 V C 2.429 178.477 176.094 -0.077 0.000 1.051 109 V CA 1.551 63.831 62.300 -0.033 0.000 1.036 109 V CB -0.446 31.352 31.823 -0.041 0.000 0.654 109 V HN 0.470 nan 8.190 nan 0.000 0.451 110 K N -0.766 119.593 120.400 -0.068 0.000 2.097 110 K HA -0.116 4.204 4.320 0.000 0.000 0.205 110 K C 2.063 178.548 176.600 -0.191 0.000 1.050 110 K CA 1.538 57.730 56.287 -0.159 0.000 0.938 110 K CB -0.303 32.069 32.500 -0.214 0.000 0.718 110 K HN 0.386 nan 8.250 nan 0.000 0.442 111 F N 1.209 121.120 119.950 -0.065 0.000 2.186 111 F HA -0.146 4.381 4.527 0.000 0.000 0.299 111 F C 2.686 178.414 175.800 -0.121 0.000 1.090 111 F CA 0.949 58.911 58.000 -0.062 0.000 1.307 111 F CB -0.037 38.953 39.000 -0.017 0.000 1.019 111 F HN -0.027 nan 8.300 nan 0.000 0.489 112 R N 1.055 121.553 120.500 -0.004 0.000 2.073 112 R HA -0.180 4.160 4.340 0.000 0.000 0.234 112 R C 1.937 178.015 176.300 -0.371 0.000 1.134 112 R CA 1.904 57.846 56.100 -0.264 0.000 0.952 112 R CB -0.668 29.375 30.300 -0.428 0.000 0.850 112 R HN 0.368 nan 8.270 nan 0.000 0.433 113 Q N 0.392 120.013 119.800 -0.299 0.000 2.050 113 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 113 Q C 2.222 178.117 176.000 -0.174 0.000 0.980 113 Q CA 1.988 57.634 55.803 -0.261 0.000 0.840 113 Q CB -0.319 28.299 28.738 -0.201 0.000 0.898 113 Q HN 0.567 nan 8.270 nan 0.000 0.424 114 I N -2.293 118.195 120.570 -0.137 0.000 2.614 114 I HA -0.141 4.029 4.170 0.000 0.000 0.258 114 I C 1.666 177.750 176.117 -0.055 0.000 1.189 114 I CA 1.071 62.316 61.300 -0.093 0.000 1.462 114 I CB -0.179 37.760 38.000 -0.100 0.000 1.092 114 I HN 0.059 nan 8.210 nan 0.000 0.442 115 L N 0.671 121.860 121.223 -0.057 0.000 2.558 115 L HA 0.144 4.484 4.340 0.000 0.000 0.225 115 L C 1.020 177.863 176.870 -0.045 0.000 1.128 115 L CA 0.115 54.940 54.840 -0.026 0.000 0.868 115 L CB -0.061 41.998 42.059 -0.000 0.000 1.006 115 L HN 0.117 nan 8.230 nan 0.000 0.454 116 S N 1.311 116.953 115.700 -0.097 0.000 4.087 116 S HA 0.255 4.725 4.470 0.000 0.000 0.213 116 S C 0.060 174.649 174.600 -0.018 0.000 1.415 116 S CA -0.134 58.025 58.200 -0.069 0.000 0.893 116 S CB -0.370 62.742 63.200 -0.146 0.000 1.529 116 S HN 0.241 nan 8.310 nan 0.000 0.457 117 R N 0.404 120.911 120.500 0.011 0.000 2.522 117 R HA 0.184 4.524 4.340 0.000 0.000 0.283 117 R C 0.635 176.967 176.300 0.053 0.000 1.074 117 R CA -0.270 55.850 56.100 0.033 0.000 0.925 117 R CB 1.023 31.342 30.300 0.032 0.000 1.205 117 R HN 0.257 nan 8.270 nan 0.000 0.436 118 E N 2.742 122.984 120.200 0.071 0.000 2.107 118 E HA -0.113 4.238 4.350 0.000 0.000 0.191 118 E C -0.167 176.489 176.600 0.092 0.000 0.982 118 E CA 1.160 57.608 56.400 0.080 0.000 0.809 118 E CB -0.021 29.728 29.700 0.082 0.000 0.756 118 E HN 0.524 nan 8.360 nan 0.000 0.459 119 H N 0.557 119.640 119.070 0.021 0.000 2.552 119 H HA 0.343 4.899 4.556 0.000 0.000 0.311 119 H C -0.056 175.282 175.328 0.017 0.000 1.071 119 H CA -0.221 55.838 56.048 0.019 0.000 1.307 119 H CB 0.134 29.904 29.762 0.014 0.000 1.416 119 H HN 0.167 nan 8.280 nan 0.000 0.464 120 R N 2.781 123.047 120.500 -0.390 0.000 3.158 120 R HA -0.125 4.215 4.340 0.000 0.000 0.244 120 R C -2.309 173.961 176.300 -0.050 0.000 0.900 120 R CA 0.256 56.221 56.100 -0.225 0.000 0.618 120 R CB -1.336 28.820 30.300 -0.239 0.000 1.061 120 R HN 0.569 nan 8.270 nan 0.000 0.471 121 P HA 0.041 nan 4.420 nan 0.000 0.271 121 P C -2.035 175.271 177.300 0.010 0.000 1.216 121 P CA -1.128 61.977 63.100 0.008 0.000 0.776 121 P CB 0.443 32.154 31.700 0.019 0.000 0.881 122 P HA 0.098 nan 4.420 nan 0.000 0.237 122 P C 1.137 178.462 177.300 0.040 0.000 1.701 122 P CA 0.075 63.190 63.100 0.025 0.000 0.955 122 P CB -0.479 31.234 31.700 0.021 0.000 1.937 123 I N 0.023 120.615 120.570 0.036 0.000 2.202 123 I HA -0.185 3.985 4.170 0.000 0.000 0.242 123 I C 1.956 178.100 176.117 0.044 0.000 1.091 123 I CA 1.333 62.660 61.300 0.046 0.000 1.368 123 I CB -0.420 37.607 38.000 0.044 0.000 1.058 123 I HN 0.060 nan 8.210 nan 0.000 0.410 124 D N 0.421 120.841 120.400 0.033 0.000 2.144 124 D HA -0.154 4.486 4.640 0.000 0.000 0.199 124 D C 2.229 178.551 176.300 0.036 0.000 0.984 124 D CA 1.035 55.052 54.000 0.030 0.000 0.834 124 D CB -0.191 40.622 40.800 0.021 0.000 0.955 124 D HN 0.192 nan 8.370 nan 0.000 0.465 125 V N 0.529 120.469 119.914 0.043 0.000 2.407 125 V HA -0.193 3.927 4.120 0.000 0.000 0.248 125 V C 2.305 178.452 176.094 0.088 0.000 1.055 125 V CA 1.263 63.595 62.300 0.054 0.000 1.049 125 V CB -0.088 31.763 31.823 0.047 0.000 0.662 125 V HN -0.007 nan 8.190 nan 0.000 0.455 126 V N 0.034 120.014 119.914 0.110 0.000 2.379 126 V HA -0.199 3.921 4.120 0.000 0.000 0.245 126 V C 2.299 178.420 176.094 0.046 0.000 1.044 126 V CA 2.341 64.735 62.300 0.157 0.000 1.036 126 V CB -0.465 31.464 31.823 0.177 0.000 0.664 126 V HN 0.491 nan 8.190 nan 0.000 0.453 127 I N -0.173 120.412 120.570 0.025 0.000 2.163 127 I HA -0.329 3.841 4.170 0.000 0.000 0.243 127 I C 2.683 178.797 176.117 -0.004 0.000 1.085 127 I CA 1.707 63.005 61.300 -0.004 0.000 1.347 127 I CB -0.372 37.632 38.000 0.007 0.000 1.044 127 I HN 0.368 nan 8.210 nan 0.000 0.408 128 Q N 0.356 120.165 119.800 0.016 0.000 2.226 128 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 128 Q C 2.237 178.248 176.000 0.019 0.000 0.975 128 Q CA 1.400 57.212 55.803 0.015 0.000 0.866 128 Q CB -0.222 28.529 28.738 0.022 0.000 0.915 128 Q HN 0.571 nan 8.270 nan 0.000 0.440 129 A N 0.238 123.081 122.820 0.038 0.000 2.168 129 A HA 0.126 4.447 4.320 0.000 0.000 0.215 129 A C 1.615 179.198 177.584 -0.002 0.000 1.152 129 A CA 0.877 52.946 52.037 0.053 0.000 0.716 129 A CB -0.616 18.472 19.000 0.147 0.000 0.794 129 A HN 0.476 nan 8.150 nan 0.000 0.465 130 G N -1.157 107.623 108.800 -0.034 0.000 2.179 130 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 130 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 130 G C 0.913 175.743 174.900 -0.117 0.000 1.010 130 G CA 1.026 46.088 45.100 -0.063 0.000 0.736 130 G HN 1.601 nan 8.290 nan 0.000 0.513 131 V N -2.576 117.227 119.914 -0.186 0.000 3.623 131 V HA 0.241 4.361 4.120 0.000 0.000 0.271 131 V C 2.290 178.207 176.094 -0.294 0.000 1.248 131 V CA 1.197 63.319 62.300 -0.297 0.000 1.156 131 V CB 0.065 31.549 31.823 -0.565 0.000 0.870 131 V HN 0.255 nan 8.190 nan 0.000 0.453 132 V N 1.137 120.926 119.914 -0.207 0.000 2.255 132 V HA -0.139 3.981 4.120 0.000 0.000 0.247 132 V C 0.552 176.536 176.094 -0.183 0.000 1.051 132 V CA 2.992 65.191 62.300 -0.168 0.000 1.018 132 V CB -1.792 29.969 31.823 -0.103 0.000 0.641 132 V HN 0.526 nan 8.190 nan 0.000 0.445 133 P HA -0.170 nan 4.420 nan 0.000 0.216 133 P C 1.702 178.852 177.300 -0.251 0.000 1.150 133 P CA 1.292 64.287 63.100 -0.175 0.000 0.837 133 P CB -0.053 31.564 31.700 -0.139 0.000 0.786 134 R N 0.025 120.334 120.500 -0.319 0.000 2.075 134 R HA -0.043 4.297 4.340 0.000 0.000 0.232 134 R C 2.132 177.973 176.300 -0.766 0.000 1.126 134 R CA 1.475 57.260 56.100 -0.524 0.000 0.963 134 R CB -1.573 28.440 30.300 -0.478 0.000 0.858 134 R HN 0.139 nan 8.270 nan 0.000 0.435 135 L N -0.481 120.453 121.223 -0.481 0.000 2.056 135 L HA -0.128 4.212 4.340 0.000 0.000 0.207 135 L C 2.235 179.001 176.870 -0.174 0.000 1.078 135 L CA 1.001 55.668 54.840 -0.288 0.000 0.749 135 L CB -0.455 41.520 42.059 -0.139 0.000 0.901 135 L HN 0.034 nan 8.230 nan 0.000 0.433 136 V N -0.123 119.673 119.914 -0.196 0.000 2.407 136 V HA -0.294 3.826 4.120 0.000 0.000 0.248 136 V C 2.453 178.465 176.094 -0.136 0.000 1.055 136 V CA 1.873 64.072 62.300 -0.169 0.000 1.049 136 V CB -0.507 31.202 31.823 -0.190 0.000 0.662 136 V HN 0.497 nan 8.190 nan 0.000 0.455 137 E N -0.100 119.978 120.200 -0.204 0.000 2.118 137 E HA -0.232 4.118 4.350 0.000 0.000 0.195 137 E C 1.900 178.515 176.600 0.025 0.000 0.992 137 E CA 1.440 57.747 56.400 -0.154 0.000 0.804 137 E CB -0.078 29.450 29.700 -0.288 0.000 0.741 137 E HN 0.575 nan 8.360 nan 0.000 0.458 138 F N -0.116 119.820 119.950 -0.023 0.000 2.699 138 F HA 0.030 4.557 4.527 0.000 0.000 0.298 138 F C 1.819 177.626 175.800 0.013 0.000 1.154 138 F CA 0.657 58.657 58.000 -0.000 0.000 1.457 138 F CB -0.220 38.785 39.000 0.009 0.000 1.106 138 F HN 0.089 nan 8.300 nan 0.000 0.585 139 M N -1.151 118.548 119.600 0.166 0.000 2.495 139 M HA 0.010 4.490 4.480 0.000 0.000 0.237 139 M C 0.717 177.061 176.300 0.075 0.000 1.131 139 M CA 0.083 55.449 55.300 0.111 0.000 1.032 139 M CB -0.034 32.599 32.600 0.054 0.000 1.513 139 M HN -0.352 nan 8.290 nan 0.000 0.488 140 R N 1.070 121.612 120.500 0.070 0.000 2.697 140 R HA 0.074 4.414 4.340 0.000 0.000 0.265 140 R C 1.776 178.107 176.300 0.052 0.000 1.009 140 R CA 0.692 56.820 56.100 0.046 0.000 1.099 140 R CB -0.720 29.608 30.300 0.046 0.000 0.965 140 R HN 0.606 nan 8.270 nan 0.000 0.428 141 E N 1.640 121.862 120.200 0.037 0.000 2.108 141 E HA -0.332 4.018 4.350 0.000 0.000 0.203 141 E C 1.330 177.951 176.600 0.035 0.000 1.022 141 E CA 2.234 58.656 56.400 0.035 0.000 0.823 141 E CB -0.887 28.825 29.700 0.021 0.000 0.744 141 E HN 0.859 nan 8.360 nan 0.000 0.456 142 N N -0.094 118.625 118.700 0.031 0.000 2.322 142 N HA 0.005 4.745 4.740 0.000 0.000 0.194 142 N C 0.535 176.062 175.510 0.030 0.000 1.126 142 N CA 0.041 53.107 53.050 0.027 0.000 0.845 142 N CB 0.347 38.847 38.487 0.021 0.000 0.976 142 N HN 0.372 nan 8.380 nan 0.000 0.475 143 Q N 0.866 120.692 119.800 0.042 0.000 2.394 143 Q HA 0.268 4.608 4.340 0.000 0.000 0.248 143 Q C -2.152 173.856 176.000 0.013 0.000 0.992 143 Q CA -1.456 54.369 55.803 0.037 0.000 0.888 143 Q CB 0.067 28.851 28.738 0.076 0.000 1.257 143 Q HN 0.206 nan 8.270 nan 0.000 0.462 144 P HA -0.092 nan 4.420 nan 0.000 0.265 144 P C 0.542 177.838 177.300 -0.007 0.000 1.187 144 P CA 0.307 63.393 63.100 -0.023 0.000 0.766 144 P CB 0.513 32.179 31.700 -0.057 0.000 0.820 145 E N 2.456 122.659 120.200 0.006 0.000 2.058 145 E HA -0.237 4.113 4.350 0.000 0.000 0.194 145 E C 1.394 178.011 176.600 0.028 0.000 0.997 145 E CA 1.521 57.934 56.400 0.022 0.000 0.801 145 E CB -0.182 29.531 29.700 0.022 0.000 0.746 145 E HN 0.284 nan 8.360 nan 0.000 0.450 146 M N 0.225 119.834 119.600 0.014 0.000 2.213 146 M HA -0.124 4.356 4.480 0.000 0.000 0.263 146 M C 2.352 178.664 176.300 0.021 0.000 1.062 146 M CA 0.881 56.196 55.300 0.025 0.000 1.105 146 M CB -0.886 31.720 32.600 0.009 0.000 1.385 146 M HN 0.253 nan 8.290 nan 0.000 0.417 147 L N 0.501 121.707 121.223 -0.028 0.000 2.056 147 L HA -0.167 4.173 4.340 0.000 0.000 0.207 147 L C 2.371 179.265 176.870 0.039 0.000 1.078 147 L CA 1.794 56.586 54.840 -0.079 0.000 0.749 147 L CB -0.619 41.297 42.059 -0.239 0.000 0.901 147 L HN 0.354 nan 8.230 nan 0.000 0.433 148 Q N -1.161 118.678 119.800 0.066 0.000 2.050 148 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 148 Q C 2.201 178.289 176.000 0.148 0.000 0.980 148 Q CA 1.737 57.613 55.803 0.122 0.000 0.840 148 Q CB -0.438 28.360 28.738 0.099 0.000 0.898 148 Q HN 0.426 nan 8.270 nan 0.000 0.424 149 L N 1.387 122.684 121.223 0.123 0.000 1.955 149 L HA -0.228 4.112 4.340 0.000 0.000 0.213 149 L C 2.169 179.176 176.870 0.229 0.000 1.072 149 L CA 1.897 56.825 54.840 0.147 0.000 0.755 149 L CB -0.409 41.721 42.059 0.119 0.000 0.888 149 L HN 0.121 nan 8.230 nan 0.000 0.432 150 E N -0.267 120.060 120.200 0.211 0.000 2.153 150 E HA -0.187 4.163 4.350 0.000 0.000 0.194 150 E C 2.139 178.876 176.600 0.228 0.000 0.988 150 E CA 1.272 57.809 56.400 0.229 0.000 0.811 150 E CB -0.423 29.351 29.700 0.124 0.000 0.746 150 E HN 0.654 nan 8.360 nan 0.000 0.466 151 A N 1.272 124.229 122.820 0.227 0.000 1.929 151 A HA 0.016 4.336 4.320 0.000 0.000 0.216 151 A C 2.384 180.127 177.584 0.264 0.000 1.176 151 A CA 1.683 53.869 52.037 0.248 0.000 0.628 151 A CB -0.387 18.799 19.000 0.309 0.000 0.816 151 A HN 0.254 nan 8.150 nan 0.000 0.444 152 A N -1.640 121.359 122.820 0.298 0.000 1.968 152 A HA -0.102 4.218 4.320 0.000 0.000 0.217 152 A C 1.969 179.742 177.584 0.314 0.000 1.169 152 A CA 1.375 53.636 52.037 0.374 0.000 0.638 152 A CB -0.699 18.502 19.000 0.335 0.000 0.812 152 A HN 0.793 nan 8.150 nan 0.000 0.446 153 W N 1.005 122.339 121.300 0.055 0.000 2.355 153 W HA -0.121 4.539 4.660 0.000 0.000 0.309 153 W C 2.458 178.971 176.519 -0.010 0.000 1.206 153 W CA 1.546 58.872 57.345 -0.033 0.000 1.284 153 W CB -0.864 28.568 29.460 -0.047 0.000 1.145 153 W HN 0.388 nan 8.180 nan 0.000 0.502 154 A N 0.656 123.618 122.820 0.237 0.000 1.865 154 A HA -0.223 4.097 4.320 0.000 0.000 0.217 154 A C 2.327 180.001 177.584 0.151 0.000 1.191 154 A CA 2.245 54.349 52.037 0.111 0.000 0.623 154 A CB -1.213 17.846 19.000 0.099 0.000 0.826 154 A HN 0.325 nan 8.150 nan 0.000 0.444 155 L N -0.862 120.485 121.223 0.206 0.000 2.083 155 L HA -0.179 4.161 4.340 0.000 0.000 0.209 155 L C 2.789 179.799 176.870 0.234 0.000 1.083 155 L CA 1.718 56.706 54.840 0.246 0.000 0.752 155 L CB -1.088 41.215 42.059 0.408 0.000 0.899 155 L HN 0.355 nan 8.230 nan 0.000 0.433 156 T N -0.176 114.493 114.554 0.191 0.000 2.665 156 T HA -0.182 4.168 4.350 0.000 0.000 0.268 156 T C 1.652 176.442 174.700 0.150 0.000 1.035 156 T CA 1.703 63.868 62.100 0.109 0.000 1.151 156 T CB -0.254 68.629 68.868 0.026 0.000 0.862 156 T HN 0.316 nan 8.240 nan 0.000 0.438 157 N N 0.620 119.407 118.700 0.144 0.000 2.457 157 N HA 0.158 4.898 4.740 0.000 0.000 0.180 157 N C 1.719 177.297 175.510 0.115 0.000 1.050 157 N CA 0.421 53.544 53.050 0.122 0.000 0.906 157 N CB -0.168 38.371 38.487 0.086 0.000 0.968 157 N HN 0.425 nan 8.380 nan 0.000 0.445 158 I N 0.485 121.126 120.570 0.118 0.000 2.406 158 I HA -0.080 4.090 4.170 0.000 0.000 0.249 158 I C 1.899 178.087 176.117 0.119 0.000 1.122 158 I CA 0.489 61.851 61.300 0.102 0.000 1.431 158 I CB -0.114 37.940 38.000 0.089 0.000 1.087 158 I HN 0.004 nan 8.210 nan 0.000 0.424 159 A N 0.434 123.343 122.820 0.149 0.000 2.206 159 A HA -0.079 4.241 4.320 0.000 0.000 0.211 159 A C 2.190 179.880 177.584 0.176 0.000 1.158 159 A CA 1.218 53.352 52.037 0.161 0.000 0.761 159 A CB -0.510 18.595 19.000 0.176 0.000 0.801 159 A HN 0.492 nan 8.150 nan 0.000 0.473 160 S N -1.156 114.650 115.700 0.177 0.000 2.593 160 S HA 0.340 4.810 4.470 0.000 0.000 0.217 160 S C 1.140 175.824 174.600 0.140 0.000 0.966 160 S CA 0.281 58.598 58.200 0.194 0.000 0.914 160 S CB -0.207 63.117 63.200 0.206 0.000 0.776 160 S HN 0.535 nan 8.310 nan 0.000 0.523 161 G N 1.827 110.697 108.800 0.116 0.000 2.714 161 G HA2 0.458 4.418 3.960 0.000 0.000 0.197 161 G HA3 0.458 4.418 3.960 0.000 0.000 0.197 161 G C 0.208 175.158 174.900 0.084 0.000 1.449 161 G CA 0.024 45.175 45.100 0.084 0.000 1.065 161 G HN 0.502 nan 8.290 nan 0.000 0.575 162 T N -2.314 112.279 114.554 0.066 0.000 2.766 162 T HA 0.260 4.610 4.350 0.000 0.000 0.295 162 T C 1.493 176.245 174.700 0.085 0.000 1.024 162 T CA 0.481 62.617 62.100 0.059 0.000 1.018 162 T CB 1.109 69.999 68.868 0.038 0.000 1.002 162 T HN 0.196 nan 8.240 nan 0.000 0.532 163 S N 0.698 116.440 115.700 0.069 0.000 2.399 163 S HA -0.040 4.430 4.470 0.000 0.000 0.231 163 S C 2.439 177.111 174.600 0.119 0.000 1.022 163 S CA 0.920 59.174 58.200 0.090 0.000 0.983 163 S CB -0.914 62.279 63.200 -0.011 0.000 0.803 163 S HN 0.874 nan 8.310 nan 0.000 0.480 164 A N 1.464 124.327 122.820 0.070 0.000 1.898 164 A HA -0.133 4.187 4.320 0.000 0.000 0.216 164 A C 2.106 179.734 177.584 0.075 0.000 1.181 164 A CA 1.170 53.245 52.037 0.063 0.000 0.620 164 A CB -0.505 18.515 19.000 0.035 0.000 0.819 164 A HN 0.548 nan 8.150 nan 0.000 0.442 165 Q N -0.927 118.917 119.800 0.073 0.000 2.123 165 Q HA -0.088 4.252 4.340 0.000 0.000 0.199 165 Q C 2.034 178.087 176.000 0.088 0.000 0.966 165 Q CA 1.694 57.538 55.803 0.069 0.000 0.845 165 Q CB -0.349 28.427 28.738 0.063 0.000 0.907 165 Q HN 0.625 nan 8.270 nan 0.000 0.439 166 T N 1.318 115.950 114.554 0.130 0.000 2.821 166 T HA -0.139 4.211 4.350 0.000 0.000 0.267 166 T C 1.671 176.431 174.700 0.098 0.000 1.046 166 T CA 1.171 63.359 62.100 0.146 0.000 1.139 166 T CB -0.079 68.935 68.868 0.244 0.000 0.871 166 T HN 0.241 nan 8.240 nan 0.000 0.454 167 K N 1.029 121.538 120.400 0.181 0.000 2.063 167 K HA -0.115 4.205 4.320 0.000 0.000 0.208 167 K C 2.122 178.734 176.600 0.019 0.000 1.048 167 K CA 1.143 57.516 56.287 0.143 0.000 0.928 167 K CB -0.329 32.280 32.500 0.180 0.000 0.713 167 K HN 0.149 nan 8.250 nan 0.000 0.442 168 V N 0.744 120.673 119.914 0.025 0.000 2.332 168 V HA -0.242 3.878 4.120 0.000 0.000 0.248 168 V C 2.321 178.399 176.094 -0.026 0.000 1.055 168 V CA 1.645 63.943 62.300 -0.004 0.000 1.038 168 V CB -0.226 31.599 31.823 0.003 0.000 0.651 168 V HN 0.187 nan 8.190 nan 0.000 0.450 169 V N -0.538 119.370 119.914 -0.010 0.000 2.358 169 V HA -0.189 3.931 4.120 0.000 0.000 0.246 169 V C 2.389 178.447 176.094 -0.059 0.000 1.047 169 V CA 1.739 64.033 62.300 -0.009 0.000 1.035 169 V CB -0.319 31.552 31.823 0.080 0.000 0.658 169 V HN 0.404 nan 8.190 nan 0.000 0.452 170 V N 0.202 120.048 119.914 -0.114 0.000 2.358 170 V HA -0.218 3.902 4.120 0.000 0.000 0.246 170 V C 2.204 178.202 176.094 -0.159 0.000 1.047 170 V CA 2.069 64.255 62.300 -0.189 0.000 1.035 170 V CB -0.649 30.863 31.823 -0.518 0.000 0.658 170 V HN 0.573 nan 8.190 nan 0.000 0.452 171 D N 0.626 120.949 120.400 -0.128 0.000 2.264 171 D HA -0.058 4.582 4.640 0.000 0.000 0.208 171 D C 1.900 178.152 176.300 -0.080 0.000 0.966 171 D CA 1.364 55.305 54.000 -0.098 0.000 0.864 171 D CB -0.067 40.694 40.800 -0.065 0.000 0.933 171 D HN 0.479 nan 8.370 nan 0.000 0.499 172 A N 0.744 123.514 122.820 -0.084 0.000 2.259 172 A HA -0.036 4.284 4.320 0.000 0.000 0.208 172 A C 0.127 177.651 177.584 -0.100 0.000 1.201 172 A CA 0.114 52.096 52.037 -0.091 0.000 0.824 172 A CB -0.000 18.939 19.000 -0.101 0.000 0.838 172 A HN -0.002 nan 8.150 nan 0.000 0.485 173 D N -2.212 118.139 120.400 -0.081 0.000 2.870 173 D HA -0.230 4.410 4.640 0.000 0.000 0.228 173 D C 0.987 177.211 176.300 -0.127 0.000 1.147 173 D CA 0.918 54.882 54.000 -0.060 0.000 0.757 173 D CB -1.524 39.246 40.800 -0.050 0.000 1.091 173 D HN 0.618 nan 8.370 nan 0.000 0.429 174 A N -0.301 122.395 122.820 -0.206 0.000 1.968 174 A HA 0.010 4.330 4.320 0.000 0.000 0.217 174 A C 2.399 179.640 177.584 -0.571 0.000 1.169 174 A CA 1.261 53.003 52.037 -0.492 0.000 0.638 174 A CB -0.046 18.587 19.000 -0.612 0.000 0.812 174 A HN 0.242 nan 8.150 nan 0.000 0.446 175 V N 0.678 120.499 119.914 -0.155 0.000 2.231 175 V HA -0.203 3.917 4.120 0.000 0.000 0.248 175 V C -0.020 176.064 176.094 -0.016 0.000 1.054 175 V CA 2.727 65.049 62.300 0.037 0.000 1.015 175 V CB -1.573 30.302 31.823 0.087 0.000 0.638 175 V HN 0.367 nan 8.190 nan 0.000 0.444 176 P HA -0.158 nan 4.420 nan 0.000 0.216 176 P C 1.869 179.162 177.300 -0.010 0.000 1.150 176 P CA 1.484 64.568 63.100 -0.026 0.000 0.843 176 P CB -0.057 31.632 31.700 -0.020 0.000 0.787 177 L N -2.840 118.334 121.223 -0.082 0.000 2.109 177 L HA -0.115 4.225 4.340 0.000 0.000 0.207 177 L C 2.346 179.238 176.870 0.035 0.000 1.086 177 L CA 1.252 56.050 54.840 -0.070 0.000 0.760 177 L CB -0.768 41.188 42.059 -0.171 0.000 0.910 177 L HN -0.028 nan 8.230 nan 0.000 0.437 178 F N 0.166 120.137 119.950 0.035 0.000 2.102 178 F HA -0.267 4.260 4.527 0.000 0.000 0.298 178 F C 2.442 178.263 175.800 0.034 0.000 1.105 178 F CA 0.956 58.978 58.000 0.036 0.000 1.239 178 F CB -0.198 38.818 39.000 0.027 0.000 0.991 178 F HN -0.029 nan 8.300 nan 0.000 0.474 179 I N 0.217 120.924 120.570 0.228 0.000 2.226 179 I HA -0.320 3.850 4.170 0.000 0.000 0.245 179 I C 2.811 179.066 176.117 0.230 0.000 1.100 179 I CA 1.612 63.005 61.300 0.156 0.000 1.374 179 I CB -0.808 37.263 38.000 0.117 0.000 1.057 179 I HN 0.194 nan 8.210 nan 0.000 0.413 180 Q N 0.786 120.719 119.800 0.222 0.000 2.167 180 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 180 Q C 2.044 178.189 176.000 0.241 0.000 0.970 180 Q CA 1.047 57.006 55.803 0.259 0.000 0.855 180 Q CB -1.450 27.352 28.738 0.106 0.000 0.911 180 Q HN 0.656 nan 8.270 nan 0.000 0.438 181 L N -0.077 121.253 121.223 0.179 0.000 2.191 181 L HA -0.025 4.315 4.340 0.000 0.000 0.212 181 L C 2.666 179.605 176.870 0.116 0.000 1.103 181 L CA 1.200 56.128 54.840 0.147 0.000 0.769 181 L CB -0.515 41.642 42.059 0.164 0.000 0.908 181 L HN 0.296 nan 8.230 nan 0.000 0.438 182 L N -1.826 119.450 121.223 0.088 0.000 2.191 182 L HA -0.227 4.113 4.340 0.000 0.000 0.212 182 L C 2.270 179.106 176.870 -0.057 0.000 1.103 182 L CA 1.310 56.131 54.840 -0.032 0.000 0.769 182 L CB -0.479 41.500 42.059 -0.134 0.000 0.908 182 L HN 0.236 nan 8.230 nan 0.000 0.438 183 Y N -0.420 119.891 120.300 0.017 0.000 2.230 183 Y HA -0.134 4.416 4.550 0.000 0.000 0.294 183 Y C 2.991 178.899 175.900 0.013 0.000 1.120 183 Y CA 1.521 59.628 58.100 0.011 0.000 1.129 183 Y CB -0.403 38.063 38.460 0.010 0.000 1.040 183 Y HN 0.170 nan 8.280 nan 0.000 0.519 184 T N -2.472 112.204 114.554 0.203 0.000 3.037 184 T HA 0.257 4.607 4.350 0.000 0.000 0.252 184 T C 1.252 176.000 174.700 0.080 0.000 1.073 184 T CA 0.307 62.476 62.100 0.114 0.000 1.091 184 T CB -0.647 68.273 68.868 0.087 0.000 0.935 184 T HN 0.175 nan 8.240 nan 0.000 0.488 185 G N 2.104 110.952 108.800 0.081 0.000 2.614 185 G HA2 0.410 4.370 3.960 0.000 0.000 0.239 185 G HA3 0.410 4.370 3.960 0.000 0.000 0.239 185 G C 0.194 175.118 174.900 0.041 0.000 1.240 185 G CA -0.082 45.055 45.100 0.061 0.000 0.842 185 G HN 0.663 nan 8.290 nan 0.000 0.584 186 S N -0.242 115.478 115.700 0.034 0.000 2.600 186 S HA 0.125 4.595 4.470 0.000 0.000 0.265 186 S C 1.570 176.177 174.600 0.012 0.000 1.325 186 S CA -0.248 57.965 58.200 0.022 0.000 1.002 186 S CB 1.397 64.609 63.200 0.021 0.000 0.921 186 S HN 0.454 nan 8.310 nan 0.000 0.554 187 V N 1.326 121.241 119.914 0.002 0.000 2.282 187 V HA -0.205 3.915 4.120 0.000 0.000 0.249 187 V C 2.963 179.048 176.094 -0.015 0.000 1.057 187 V CA 2.481 64.775 62.300 -0.010 0.000 1.032 187 V CB -1.497 30.318 31.823 -0.013 0.000 0.645 187 V HN 0.915 nan 8.190 nan 0.000 0.447 188 E N -0.768 119.425 120.200 -0.012 0.000 2.153 188 E HA -0.157 4.193 4.350 0.000 0.000 0.194 188 E C 2.163 178.751 176.600 -0.022 0.000 0.988 188 E CA 1.223 57.607 56.400 -0.026 0.000 0.811 188 E CB -0.466 29.225 29.700 -0.016 0.000 0.746 188 E HN 0.620 nan 8.360 nan 0.000 0.466 189 V N 1.087 121.006 119.914 0.008 0.000 2.358 189 V HA -0.218 3.903 4.120 0.000 0.000 0.246 189 V C 2.285 178.395 176.094 0.027 0.000 1.047 189 V CA 1.797 64.117 62.300 0.033 0.000 1.035 189 V CB -0.453 31.403 31.823 0.055 0.000 0.658 189 V HN 0.344 nan 8.190 nan 0.000 0.452 190 K N -0.013 120.393 120.400 0.011 0.000 2.097 190 K HA -0.198 4.122 4.320 0.000 0.000 0.206 190 K C 2.084 178.676 176.600 -0.013 0.000 1.049 190 K CA 1.585 57.871 56.287 -0.002 0.000 0.933 190 K CB -0.195 32.290 32.500 -0.025 0.000 0.717 190 K HN 0.562 nan 8.250 nan 0.000 0.442 191 E N 0.507 120.694 120.200 -0.022 0.000 2.153 191 E HA -0.190 4.160 4.350 0.000 0.000 0.194 191 E C 2.126 178.731 176.600 0.009 0.000 0.988 191 E CA 0.898 57.294 56.400 -0.008 0.000 0.811 191 E CB 0.129 29.803 29.700 -0.042 0.000 0.746 191 E HN 0.273 nan 8.360 nan 0.000 0.466 192 Q N 0.152 119.921 119.800 -0.052 0.000 2.033 192 Q HA -0.037 4.303 4.340 0.000 0.000 0.196 192 Q C 2.288 178.268 176.000 -0.034 0.000 0.970 192 Q CA 1.323 57.076 55.803 -0.083 0.000 0.828 192 Q CB -0.607 28.107 28.738 -0.041 0.000 0.895 192 Q HN 0.247 nan 8.270 nan 0.000 0.440 193 A N 1.165 123.973 122.820 -0.020 0.000 1.908 193 A HA -0.181 4.139 4.320 0.000 0.000 0.218 193 A C 2.138 179.636 177.584 -0.143 0.000 1.181 193 A CA 1.565 53.550 52.037 -0.087 0.000 0.627 193 A CB -0.695 18.353 19.000 0.080 0.000 0.818 193 A HN 0.317 nan 8.150 nan 0.000 0.445 194 I N -1.622 118.922 120.570 -0.043 0.000 2.394 194 I HA -0.171 3.999 4.170 0.000 0.000 0.251 194 I C 2.112 178.232 176.117 0.005 0.000 1.136 194 I CA 0.891 62.160 61.300 -0.052 0.000 1.425 194 I CB -0.320 37.646 38.000 -0.057 0.000 1.079 194 I HN 0.628 nan 8.210 nan 0.000 0.425 195 W N 1.235 122.489 121.300 -0.078 0.000 2.409 195 W HA -0.085 4.575 4.660 0.000 0.000 0.299 195 W C 2.388 178.888 176.519 -0.031 0.000 1.203 195 W CA 1.943 59.339 57.345 0.085 0.000 1.298 195 W CB -0.721 28.760 29.460 0.036 0.000 1.127 195 W HN 0.269 nan 8.180 nan 0.000 0.528 196 A N 0.678 123.515 122.820 0.028 0.000 1.902 196 A HA -0.194 4.126 4.320 0.000 0.000 0.217 196 A C 2.218 179.635 177.584 -0.279 0.000 1.181 196 A CA 1.759 53.618 52.037 -0.297 0.000 0.623 196 A CB -1.132 17.142 19.000 -1.211 0.000 0.818 196 A HN 0.299 nan 8.150 nan 0.000 0.443 197 L N -0.756 120.282 121.223 -0.309 0.000 2.131 197 L HA -0.118 4.222 4.340 0.000 0.000 0.210 197 L C 2.768 179.504 176.870 -0.223 0.000 1.092 197 L CA 0.915 55.646 54.840 -0.181 0.000 0.759 197 L CB -0.661 41.314 42.059 -0.139 0.000 0.903 197 L HN 0.506 nan 8.230 nan 0.000 0.435 198 G N -0.287 108.302 108.800 -0.352 0.000 2.402 198 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 198 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 198 G C 1.413 175.975 174.900 -0.563 0.000 1.162 198 G CA 0.511 45.093 45.100 -0.864 0.000 0.777 198 G HN 0.305 nan 8.290 nan 0.000 0.539 199 N N 0.265 118.925 118.700 -0.068 0.000 2.216 199 N HA -0.056 4.684 4.740 0.000 0.000 0.183 199 N C 2.349 177.914 175.510 0.091 0.000 1.017 199 N CA 0.821 53.963 53.050 0.153 0.000 0.861 199 N CB -0.227 38.445 38.487 0.307 0.000 0.986 199 N HN 0.189 nan 8.380 nan 0.000 0.428 200 V N 1.684 121.631 119.914 0.055 0.000 2.307 200 V HA -0.154 3.966 4.120 0.000 0.000 0.245 200 V C 2.455 178.617 176.094 0.113 0.000 1.045 200 V CA 1.810 64.169 62.300 0.098 0.000 1.024 200 V CB -0.961 30.915 31.823 0.088 0.000 0.651 200 V HN 0.256 nan 8.190 nan 0.000 0.449 201 A N 0.527 123.351 122.820 0.007 0.000 1.933 201 A HA -0.093 4.227 4.320 0.000 0.000 0.218 201 A C 2.252 179.826 177.584 -0.017 0.000 1.175 201 A CA 1.843 53.876 52.037 -0.008 0.000 0.628 201 A CB -1.045 17.888 19.000 -0.112 0.000 0.814 201 A HN 0.573 nan 8.150 nan 0.000 0.444 202 G N -1.001 107.762 108.800 -0.061 0.000 2.848 202 G HA2 -0.011 3.949 3.960 0.000 0.000 0.208 202 G HA3 -0.011 3.949 3.960 0.000 0.000 0.208 202 G C 0.971 175.893 174.900 0.037 0.000 1.152 202 G CA 1.018 46.097 45.100 -0.034 0.000 0.789 202 G HN 0.583 nan 8.290 nan 0.000 0.531 203 D N 0.245 120.703 120.400 0.097 0.000 2.103 203 D HA 0.016 4.656 4.640 0.000 0.000 0.199 203 D C 1.387 177.702 176.300 0.024 0.000 0.978 203 D CA 1.451 55.521 54.000 0.116 0.000 0.829 203 D CB 0.272 41.241 40.800 0.281 0.000 0.981 203 D HN 0.363 nan 8.370 nan 0.000 0.464 204 S N -3.417 112.286 115.700 0.005 0.000 2.615 204 S HA 0.192 4.662 4.470 0.000 0.000 0.268 204 S C 0.860 175.435 174.600 -0.041 0.000 1.146 204 S CA -0.137 58.018 58.200 -0.075 0.000 0.818 204 S CB 0.648 63.724 63.200 -0.206 0.000 1.111 204 S HN 0.102 nan 8.310 nan 0.000 0.465 205 T N -1.362 113.159 114.554 -0.055 0.000 2.833 205 T HA -0.104 4.246 4.350 0.000 0.000 0.269 205 T C 1.006 175.713 174.700 0.011 0.000 1.054 205 T CA 1.986 64.073 62.100 -0.022 0.000 1.135 205 T CB -0.878 67.972 68.868 -0.029 0.000 0.869 205 T HN 0.539 nan 8.240 nan 0.000 0.466 206 D N 0.729 121.109 120.400 -0.034 0.000 2.084 206 D HA -0.047 4.593 4.640 0.000 0.000 0.194 206 D C 1.928 178.357 176.300 0.215 0.000 0.990 206 D CA 1.325 55.335 54.000 0.017 0.000 0.826 206 D CB -0.596 40.130 40.800 -0.124 0.000 0.971 206 D HN 0.614 nan 8.370 nan 0.000 0.453 207 Y N 0.409 120.753 120.300 0.074 0.000 2.352 207 Y HA -0.115 4.435 4.550 0.000 0.000 0.292 207 Y C 2.662 178.639 175.900 0.128 0.000 1.136 207 Y CA 0.287 58.471 58.100 0.140 0.000 1.227 207 Y CB 0.115 38.636 38.460 0.101 0.000 0.991 207 Y HN -0.080 nan 8.280 nan 0.000 0.545 208 R N 0.959 121.586 120.500 0.213 0.000 2.070 208 R HA -0.173 4.167 4.340 0.000 0.000 0.233 208 R C 1.476 177.837 176.300 0.101 0.000 1.137 208 R CA 2.106 58.267 56.100 0.102 0.000 0.945 208 R CB -0.255 30.068 30.300 0.040 0.000 0.845 208 R HN 0.267 nan 8.270 nan 0.000 0.430 209 D N -0.274 120.197 120.400 0.119 0.000 2.144 209 D HA -0.196 4.444 4.640 0.000 0.000 0.199 209 D C 1.695 178.082 176.300 0.145 0.000 0.984 209 D CA 1.024 55.089 54.000 0.108 0.000 0.834 209 D CB -0.441 40.419 40.800 0.100 0.000 0.955 209 D HN 0.298 nan 8.370 nan 0.000 0.465 210 Y N 2.119 122.472 120.300 0.089 0.000 2.165 210 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 210 Y C 2.168 178.098 175.900 0.049 0.000 1.155 210 Y CA 0.977 59.125 58.100 0.079 0.000 1.164 210 Y CB -0.501 38.029 38.460 0.118 0.000 0.978 210 Y HN -0.214 nan 8.280 nan 0.000 0.513 211 V N 0.486 120.324 119.914 -0.127 0.000 2.427 211 V HA -0.304 3.816 4.120 0.000 0.000 0.248 211 V C 2.525 178.528 176.094 -0.152 0.000 1.051 211 V CA 1.925 64.091 62.300 -0.224 0.000 1.048 211 V CB -0.743 31.034 31.823 -0.077 0.000 0.666 211 V HN 0.441 nan 8.190 nan 0.000 0.456 212 L N -0.535 120.647 121.223 -0.067 0.000 2.093 212 L HA -0.205 4.135 4.340 0.000 0.000 0.208 212 L C 2.621 179.461 176.870 -0.049 0.000 1.085 212 L CA 1.490 56.304 54.840 -0.043 0.000 0.755 212 L CB -0.558 41.496 42.059 -0.008 0.000 0.904 212 L HN 0.369 nan 8.230 nan 0.000 0.435 213 Q N -1.100 118.670 119.800 -0.050 0.000 2.291 213 Q HA -0.134 4.206 4.340 0.000 0.000 0.205 213 Q C 2.016 177.969 176.000 -0.079 0.000 0.970 213 Q CA 1.037 56.821 55.803 -0.031 0.000 0.876 213 Q CB -0.122 28.637 28.738 0.035 0.000 0.935 213 Q HN 0.525 nan 8.270 nan 0.000 0.455 214 C N 1.556 120.745 119.300 -0.185 0.000 2.551 214 C HA 0.099 4.559 4.460 0.000 0.000 0.284 214 C C 0.108 175.051 174.990 -0.078 0.000 1.329 214 C CA -0.482 58.429 59.018 -0.178 0.000 1.683 214 C CB -1.490 26.048 27.740 -0.336 0.000 1.730 214 C HN 0.528 nan 8.230 nan 0.000 0.591 215 N N -0.015 118.654 118.700 -0.052 0.000 2.738 215 N HA -0.196 4.544 4.740 0.000 0.000 0.249 215 N C 0.720 176.232 175.510 0.004 0.000 1.047 215 N CA 0.891 53.935 53.050 -0.010 0.000 0.707 215 N CB -1.108 37.390 38.487 0.019 0.000 0.937 215 N HN 0.679 nan 8.380 nan 0.000 0.545 216 A N -0.353 122.447 122.820 -0.032 0.000 2.119 216 A HA -0.006 4.314 4.320 0.000 0.000 0.216 216 A C 2.237 179.795 177.584 -0.044 0.000 1.152 216 A CA 1.283 53.299 52.037 -0.035 0.000 0.708 216 A CB -0.079 18.888 19.000 -0.055 0.000 0.805 216 A HN 0.316 nan 8.150 nan 0.000 0.460 217 M N 0.494 120.074 119.600 -0.034 0.000 2.080 217 M HA -0.175 4.305 4.480 0.000 0.000 0.260 217 M C 1.819 178.102 176.300 -0.029 0.000 1.068 217 M CA 2.331 57.613 55.300 -0.030 0.000 1.109 217 M CB -0.554 32.024 32.600 -0.036 0.000 1.342 217 M HN 0.593 nan 8.290 nan 0.000 0.405 218 E N -0.112 120.076 120.200 -0.021 0.000 2.012 218 E HA -0.188 4.162 4.350 0.000 0.000 0.197 218 E C -0.825 175.711 176.600 -0.106 0.000 1.007 218 E CA 1.875 58.263 56.400 -0.020 0.000 0.816 218 E CB -1.035 28.695 29.700 0.050 0.000 0.762 218 E HN 0.397 nan 8.360 nan 0.000 0.451 219 P HA -0.154 nan 4.420 nan 0.000 0.218 219 P C 1.551 178.695 177.300 -0.260 0.000 1.148 219 P CA 1.280 64.072 63.100 -0.513 0.000 0.822 219 P CB -0.109 31.070 31.700 -0.869 0.000 0.784 220 I N -0.525 119.962 120.570 -0.139 0.000 2.202 220 I HA -0.190 3.980 4.170 0.000 0.000 0.242 220 I C 2.650 178.811 176.117 0.073 0.000 1.091 220 I CA 1.100 62.363 61.300 -0.061 0.000 1.368 220 I CB -0.574 37.420 38.000 -0.010 0.000 1.058 220 I HN -0.152 nan 8.210 nan 0.000 0.410 221 L N 0.419 121.717 121.223 0.126 0.000 2.131 221 L HA -0.130 4.210 4.340 0.000 0.000 0.210 221 L C 2.592 179.602 176.870 0.234 0.000 1.092 221 L CA 1.337 56.333 54.840 0.261 0.000 0.759 221 L CB -1.026 41.083 42.059 0.082 0.000 0.903 221 L HN 0.325 nan 8.230 nan 0.000 0.435 222 G N -0.004 108.826 108.800 0.050 0.000 2.448 222 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 222 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 222 G C 1.597 176.484 174.900 -0.021 0.000 1.127 222 G CA 0.240 45.343 45.100 0.006 0.000 0.766 222 G HN 0.262 nan 8.290 nan 0.000 0.552 223 L N -0.602 120.557 121.223 -0.108 0.000 2.265 223 L HA 0.041 4.381 4.340 0.000 0.000 0.215 223 L C 2.065 178.758 176.870 -0.296 0.000 1.117 223 L CA 0.473 55.163 54.840 -0.250 0.000 0.782 223 L CB -0.345 41.470 42.059 -0.407 0.000 0.914 223 L HN 0.156 nan 8.230 nan 0.000 0.441 224 F N -0.240 119.691 119.950 -0.032 0.000 2.802 224 F HA -0.029 4.498 4.527 0.000 0.000 0.300 224 F C 1.731 177.523 175.800 -0.013 0.000 1.168 224 F CA 0.414 58.403 58.000 -0.018 0.000 1.433 224 F CB -0.353 38.637 39.000 -0.017 0.000 1.115 224 F HN 0.167 nan 8.300 nan 0.000 0.582 225 N N -0.821 117.937 118.700 0.096 0.000 2.205 225 N HA -0.025 4.715 4.740 0.000 0.000 0.201 225 N C 1.837 177.359 175.510 0.021 0.000 1.128 225 N CA 0.758 53.844 53.050 0.060 0.000 0.867 225 N CB 0.053 38.569 38.487 0.048 0.000 0.996 225 N HN 0.229 nan 8.380 nan 0.000 0.503 226 S N 0.511 116.205 115.700 -0.010 0.000 2.423 226 S HA -0.138 4.332 4.470 0.000 0.000 0.231 226 S C 1.255 175.848 174.600 -0.011 0.000 1.014 226 S CA 1.289 59.474 58.200 -0.025 0.000 0.965 226 S CB -0.955 62.206 63.200 -0.063 0.000 0.785 226 S HN 0.521 nan 8.310 nan 0.000 0.495 227 N N -0.127 118.574 118.700 0.001 0.000 2.829 227 N HA -0.215 4.525 4.740 0.000 0.000 0.250 227 N C -0.023 175.488 175.510 0.000 0.000 1.090 227 N CA 1.419 54.474 53.050 0.008 0.000 0.781 227 N CB -2.419 36.074 38.487 0.009 0.000 1.124 227 N HN 0.859 nan 8.380 nan 0.000 0.559 228 K N 0.326 120.718 120.400 -0.013 0.000 2.559 228 K HA 0.422 4.742 4.320 0.000 0.000 0.249 228 K C -1.886 174.702 176.600 -0.020 0.000 0.958 228 K CA -1.517 54.760 56.287 -0.016 0.000 0.901 228 K CB 1.947 34.431 32.500 -0.026 0.000 1.124 228 K HN 0.073 nan 8.250 nan 0.000 0.437 229 P HA -0.264 nan 4.420 nan 0.000 0.215 229 P C 1.115 178.410 177.300 -0.007 0.000 1.157 229 P CA 1.630 64.732 63.100 0.003 0.000 0.874 229 P CB 0.211 31.919 31.700 0.014 0.000 0.790 230 S N 0.034 115.729 115.700 -0.007 0.000 2.370 230 S HA -0.182 4.288 4.470 0.000 0.000 0.226 230 S C 2.118 176.708 174.600 -0.017 0.000 1.033 230 S CA 1.366 59.565 58.200 -0.003 0.000 1.011 230 S CB -1.742 61.461 63.200 0.004 0.000 0.852 230 S HN 0.037 nan 8.310 nan 0.000 0.457 231 L N 1.674 122.873 121.223 -0.040 0.000 2.017 231 L HA 0.144 4.484 4.340 0.000 0.000 0.208 231 L C 2.331 179.117 176.870 -0.140 0.000 1.073 231 L CA 1.535 56.329 54.840 -0.076 0.000 0.745 231 L CB -0.680 41.323 42.059 -0.094 0.000 0.894 231 L HN 0.385 nan 8.230 nan 0.000 0.432 232 I N -0.809 119.673 120.570 -0.145 0.000 2.264 232 I HA -0.325 3.845 4.170 0.000 0.000 0.248 232 I C 2.633 178.711 176.117 -0.065 0.000 1.111 232 I CA 1.190 62.377 61.300 -0.189 0.000 1.382 232 I CB -0.324 37.646 38.000 -0.050 0.000 1.060 232 I HN 0.277 nan 8.210 nan 0.000 0.418 233 R N 0.167 120.655 120.500 -0.021 0.000 2.080 233 R HA -0.150 4.190 4.340 0.000 0.000 0.236 233 R C 2.338 178.636 176.300 -0.003 0.000 1.137 233 R CA 2.189 58.291 56.100 0.003 0.000 0.943 233 R CB -0.711 29.574 30.300 -0.025 0.000 0.846 233 R HN 0.329 nan 8.270 nan 0.000 0.431 234 T N 0.708 115.228 114.554 -0.056 0.000 2.746 234 T HA -0.115 4.235 4.350 0.000 0.000 0.267 234 T C 1.936 176.662 174.700 0.043 0.000 1.039 234 T CA 1.294 63.370 62.100 -0.040 0.000 1.142 234 T CB -0.269 68.558 68.868 -0.067 0.000 0.866 234 T HN 0.388 nan 8.240 nan 0.000 0.444 235 A N 1.486 124.259 122.820 -0.079 0.000 1.908 235 A HA -0.145 4.175 4.320 0.000 0.000 0.218 235 A C 2.556 180.201 177.584 0.102 0.000 1.181 235 A CA 2.097 54.039 52.037 -0.157 0.000 0.627 235 A CB -1.290 17.335 19.000 -0.625 0.000 0.818 235 A HN 0.474 nan 8.150 nan 0.000 0.445 236 T N -1.576 113.114 114.554 0.227 0.000 2.746 236 T HA -0.187 4.164 4.350 0.000 0.000 0.267 236 T C 1.474 176.314 174.700 0.234 0.000 1.039 236 T CA 1.532 63.841 62.100 0.348 0.000 1.142 236 T CB -0.330 68.714 68.868 0.293 0.000 0.866 236 T HN 0.798 nan 8.240 nan 0.000 0.444 237 W N 2.099 123.396 121.300 -0.004 0.000 2.379 237 W HA -0.136 4.524 4.660 0.000 0.000 0.307 237 W C 2.179 178.678 176.519 -0.033 0.000 1.200 237 W CA 1.468 58.784 57.345 -0.049 0.000 1.297 237 W CB -1.028 28.325 29.460 -0.178 0.000 1.140 237 W HN 0.072 nan 8.180 nan 0.000 0.507 238 T N 1.961 116.249 114.554 -0.443 0.000 2.720 238 T HA -0.264 4.086 4.350 0.000 0.000 0.268 238 T C 1.705 176.229 174.700 -0.293 0.000 1.037 238 T CA 1.868 63.590 62.100 -0.630 0.000 1.144 238 T CB -0.842 67.781 68.868 -0.407 0.000 0.864 238 T HN 0.176 nan 8.240 nan 0.000 0.444 239 L N 1.105 122.283 121.223 -0.076 0.000 2.079 239 L HA -0.019 4.321 4.340 0.000 0.000 0.210 239 L C 2.558 179.440 176.870 0.020 0.000 1.081 239 L CA 1.747 56.597 54.840 0.016 0.000 0.752 239 L CB -0.988 41.153 42.059 0.136 0.000 0.896 239 L HN 0.173 nan 8.230 nan 0.000 0.433 240 S N -0.578 115.145 115.700 0.038 0.000 2.382 240 S HA -0.160 4.310 4.470 0.000 0.000 0.228 240 S C 1.821 176.519 174.600 0.163 0.000 1.027 240 S CA 1.399 59.700 58.200 0.168 0.000 0.991 240 S CB -0.388 62.948 63.200 0.227 0.000 0.823 240 S HN 0.631 nan 8.310 nan 0.000 0.469 241 N N 1.249 119.896 118.700 -0.087 0.000 2.396 241 N HA 0.084 4.824 4.740 0.000 0.000 0.180 241 N C 1.578 177.035 175.510 -0.089 0.000 1.028 241 N CA 0.645 53.611 53.050 -0.140 0.000 0.893 241 N CB -0.374 37.925 38.487 -0.314 0.000 0.967 241 N HN 0.433 nan 8.380 nan 0.000 0.440 242 L N -0.308 120.878 121.223 -0.062 0.000 2.217 242 L HA -0.052 4.288 4.340 0.000 0.000 0.211 242 L C 1.801 178.686 176.870 0.024 0.000 1.107 242 L CA 0.593 55.417 54.840 -0.027 0.000 0.783 242 L CB -0.139 41.901 42.059 -0.031 0.000 0.919 242 L HN 0.178 nan 8.230 nan 0.000 0.442 243 C N -1.289 118.062 119.300 0.085 0.000 2.533 243 C HA 0.057 4.517 4.460 0.000 0.000 0.272 243 C C 1.706 176.770 174.990 0.124 0.000 1.371 243 C CA -0.596 58.517 59.018 0.159 0.000 1.758 243 C CB -0.752 27.141 27.740 0.255 0.000 1.972 243 C HN 0.301 nan 8.230 nan 0.000 0.522 244 R N 1.145 121.620 120.500 -0.043 0.000 2.594 244 R HA 0.451 4.791 4.340 0.000 0.000 0.272 244 R C 0.083 176.226 176.300 -0.261 0.000 1.074 244 R CA 1.363 57.175 56.100 -0.479 0.000 1.105 244 R CB 0.046 29.885 30.300 -0.768 0.000 1.008 244 R HN 0.519 nan 8.270 nan 0.000 0.472 245 G N 0.688 109.325 108.800 -0.271 0.000 3.226 245 G HA2 0.063 4.023 3.960 0.000 0.000 0.685 245 G HA3 0.063 4.023 3.960 0.000 0.000 0.685 245 G C -0.242 174.619 174.900 -0.065 0.000 1.207 245 G CA -0.111 44.905 45.100 -0.139 0.000 0.877 245 G HN 0.745 nan 8.290 nan 0.000 0.585 246 K N -0.413 119.957 120.400 -0.051 0.000 2.360 246 K HA 0.647 4.967 4.320 0.000 0.000 0.196 246 K C 0.832 177.422 176.600 -0.016 0.000 1.049 246 K CA 1.553 57.829 56.287 -0.019 0.000 1.049 246 K CB 0.529 33.021 32.500 -0.014 0.000 0.881 246 K HN 1.227 nan 8.250 nan 0.000 0.542 247 K N 2.131 122.517 120.400 -0.024 0.000 2.756 247 K HA 0.401 4.721 4.320 0.000 0.000 0.218 247 K C -3.027 173.561 176.600 -0.020 0.000 1.057 247 K CA -1.409 54.867 56.287 -0.018 0.000 1.056 247 K CB 0.846 33.334 32.500 -0.021 0.000 1.235 247 K HN 0.436 nan 8.250 nan 0.000 0.547 248 P HA 0.232 nan 4.420 nan 0.000 0.274 248 P C -0.225 177.082 177.300 0.011 0.000 1.231 248 P CA -0.637 62.465 63.100 0.004 0.000 0.790 248 P CB 0.567 32.274 31.700 0.012 0.000 0.951 249 Q N 2.010 121.825 119.800 0.024 0.000 2.394 249 Q HA 0.229 4.569 4.340 0.000 0.000 0.248 249 Q C -2.052 173.989 176.000 0.068 0.000 0.992 249 Q CA -1.352 54.478 55.803 0.045 0.000 0.888 249 Q CB -0.168 28.600 28.738 0.050 0.000 1.257 249 Q HN 0.341 nan 8.270 nan 0.000 0.462 250 P HA -0.034 nan 4.420 nan 0.000 0.274 250 P C -0.744 176.635 177.300 0.132 0.000 1.237 250 P CA -0.381 62.775 63.100 0.093 0.000 0.793 250 P CB 0.405 32.161 31.700 0.093 0.000 0.977 251 D N 1.642 122.102 120.400 0.101 0.000 2.402 251 D HA -0.133 4.507 4.640 0.000 0.000 0.268 251 D C 0.968 177.356 176.300 0.147 0.000 1.294 251 D CA 0.214 54.282 54.000 0.113 0.000 0.945 251 D CB -0.073 40.766 40.800 0.064 0.000 1.112 251 D HN 0.419 nan 8.370 nan 0.000 0.517 252 W N 3.684 124.993 121.300 0.014 0.000 2.325 252 W HA -0.296 4.364 4.660 0.000 0.000 0.299 252 W C 1.712 178.238 176.519 0.012 0.000 1.215 252 W CA 1.559 58.913 57.345 0.014 0.000 1.244 252 W CB -0.328 29.140 29.460 0.014 0.000 1.140 252 W HN 0.573 nan 8.180 nan 0.000 0.523 253 S N -0.020 115.654 115.700 -0.044 0.000 2.465 253 S HA -0.174 4.296 4.470 0.000 0.000 0.241 253 S C 1.499 175.979 174.600 -0.201 0.000 1.000 253 S CA 1.570 59.679 58.200 -0.151 0.000 0.964 253 S CB -0.666 62.523 63.200 -0.017 0.000 0.763 253 S HN 0.122 nan 8.310 nan 0.000 0.512 254 V N 1.530 121.350 119.914 -0.158 0.000 2.521 254 V HA 0.023 4.143 4.120 0.000 0.000 0.239 254 V C 2.656 178.638 176.094 -0.187 0.000 1.053 254 V CA 0.952 63.172 62.300 -0.135 0.000 1.073 254 V CB -0.246 31.541 31.823 -0.060 0.000 0.746 254 V HN 0.550 nan 8.190 nan 0.000 0.476 255 V N 0.235 120.042 119.914 -0.179 0.000 2.626 255 V HA -0.133 3.987 4.120 0.000 0.000 0.252 255 V C 2.453 178.332 176.094 -0.359 0.000 1.067 255 V CA 2.015 64.212 62.300 -0.171 0.000 1.081 255 V CB -1.176 30.631 31.823 -0.026 0.000 0.686 255 V HN 0.617 nan 8.190 nan 0.000 0.468 256 S N 0.192 115.434 115.700 -0.763 0.000 2.442 256 S HA -0.236 4.234 4.470 0.000 0.000 0.236 256 S C 1.881 176.184 174.600 -0.494 0.000 1.007 256 S CA 1.461 59.031 58.200 -1.050 0.000 0.965 256 S CB -0.718 61.354 63.200 -1.879 0.000 0.773 256 S HN 0.742 nan 8.310 nan 0.000 0.504 257 Q N 0.696 120.283 119.800 -0.355 0.000 2.364 257 Q HA 0.143 4.483 4.340 0.000 0.000 0.207 257 Q C 2.123 178.023 176.000 -0.166 0.000 0.970 257 Q CA 1.091 56.767 55.803 -0.213 0.000 0.888 257 Q CB -0.353 28.291 28.738 -0.157 0.000 0.951 257 Q HN 0.825 nan 8.270 nan 0.000 0.469 258 A N 0.042 122.757 122.820 -0.175 0.000 2.238 258 A HA 0.069 4.389 4.320 0.000 0.000 0.210 258 A C 1.789 179.284 177.584 -0.147 0.000 1.179 258 A CA -0.026 51.920 52.037 -0.152 0.000 0.827 258 A CB -0.128 18.794 19.000 -0.129 0.000 0.856 258 A HN 0.248 nan 8.150 nan 0.000 0.488 259 L N -0.165 120.979 121.223 -0.131 0.000 2.013 259 L HA -0.162 4.178 4.340 0.000 0.000 0.212 259 L C -0.435 176.391 176.870 -0.075 0.000 1.073 259 L CA 1.810 56.603 54.840 -0.079 0.000 0.753 259 L CB -1.380 40.654 42.059 -0.042 0.000 0.890 259 L HN 0.233 nan 8.230 nan 0.000 0.432 260 P HA -0.144 nan 4.420 nan 0.000 0.215 260 P C 1.601 178.844 177.300 -0.094 0.000 1.157 260 P CA 1.513 64.572 63.100 -0.068 0.000 0.868 260 P CB -0.051 31.611 31.700 -0.064 0.000 0.788 261 T N -0.277 114.187 114.554 -0.150 0.000 2.684 261 T HA -0.117 4.233 4.350 0.000 0.000 0.267 261 T C 1.720 176.269 174.700 -0.253 0.000 1.036 261 T CA 1.140 63.092 62.100 -0.246 0.000 1.148 261 T CB -0.950 67.667 68.868 -0.418 0.000 0.863 261 T HN 0.058 nan 8.240 nan 0.000 0.436 262 L N 0.683 121.779 121.223 -0.210 0.000 2.141 262 L HA -0.037 4.303 4.340 0.000 0.000 0.209 262 L C 3.001 179.832 176.870 -0.065 0.000 1.094 262 L CA 1.008 55.758 54.840 -0.150 0.000 0.763 262 L CB -0.645 41.349 42.059 -0.109 0.000 0.908 262 L HN 0.242 nan 8.230 nan 0.000 0.437 263 A N 0.491 123.292 122.820 -0.031 0.000 2.019 263 A HA -0.197 4.123 4.320 0.000 0.000 0.219 263 A C 2.583 180.242 177.584 0.125 0.000 1.164 263 A CA 2.124 54.187 52.037 0.043 0.000 0.644 263 A CB -0.507 18.513 19.000 0.034 0.000 0.805 263 A HN 0.386 nan 8.150 nan 0.000 0.449 264 K N -0.200 120.232 120.400 0.052 0.000 2.128 264 K HA 0.317 4.637 4.320 0.000 0.000 0.202 264 K C 1.866 178.543 176.600 0.129 0.000 1.050 264 K CA 0.951 57.291 56.287 0.087 0.000 0.966 264 K CB -1.002 31.497 32.500 -0.001 0.000 0.759 264 K HN 0.434 nan 8.250 nan 0.000 0.454 265 L N 0.995 122.235 121.223 0.027 0.000 2.127 265 L HA -0.073 4.267 4.340 0.000 0.000 0.211 265 L C 2.519 179.406 176.870 0.029 0.000 1.089 265 L CA 1.347 56.202 54.840 0.025 0.000 0.757 265 L CB -0.551 41.481 42.059 -0.045 0.000 0.899 265 L HN 0.539 nan 8.230 nan 0.000 0.434 266 I N -4.739 115.831 120.570 0.000 0.000 3.334 266 I HA -0.191 3.979 4.170 0.000 0.000 0.282 266 I C 1.287 177.266 176.117 -0.230 0.000 1.313 266 I CA 0.949 62.178 61.300 -0.118 0.000 1.396 266 I CB -0.504 37.388 38.000 -0.181 0.000 1.054 266 I HN 0.102 nan 8.210 nan 0.000 0.495 267 Y N 0.876 121.168 120.300 -0.012 0.000 2.467 267 Y HA 0.287 4.837 4.550 0.000 0.000 0.250 267 Y C 1.728 177.636 175.900 0.014 0.000 1.155 267 Y CA -0.290 57.811 58.100 0.002 0.000 1.249 267 Y CB 0.188 38.647 38.460 -0.003 0.000 1.146 267 Y HN 0.154 nan 8.280 nan 0.000 0.524 268 S N 0.341 116.106 115.700 0.108 0.000 2.573 268 S HA 0.220 4.690 4.470 0.000 0.000 0.277 268 S C 1.310 175.953 174.600 0.072 0.000 1.346 268 S CA 0.512 58.764 58.200 0.087 0.000 1.034 268 S CB 0.919 64.162 63.200 0.072 0.000 0.879 268 S HN 0.415 nan 8.310 nan 0.000 0.528 269 M N 2.236 121.880 119.600 0.072 0.000 2.510 269 M HA 0.287 4.767 4.480 0.000 0.000 0.256 269 M C 0.599 176.942 176.300 0.071 0.000 1.132 269 M CA 0.931 56.275 55.300 0.072 0.000 1.105 269 M CB -1.181 31.454 32.600 0.059 0.000 1.375 269 M HN 0.845 nan 8.290 nan 0.000 0.477 270 D N 0.830 121.265 120.400 0.058 0.000 2.342 270 D HA 0.234 4.874 4.640 0.000 0.000 0.260 270 D C 1.226 177.549 176.300 0.039 0.000 1.278 270 D CA 0.595 54.625 54.000 0.049 0.000 0.910 270 D CB 0.721 41.548 40.800 0.044 0.000 1.079 270 D HN 0.393 nan 8.370 nan 0.000 0.496 271 T N 2.714 117.295 114.554 0.045 0.000 2.665 271 T HA -0.275 4.075 4.350 0.000 0.000 0.268 271 T C 2.001 176.693 174.700 -0.012 0.000 1.035 271 T CA 2.124 64.230 62.100 0.010 0.000 1.151 271 T CB -0.439 68.454 68.868 0.043 0.000 0.862 271 T HN 0.652 nan 8.240 nan 0.000 0.438 272 E N 1.061 121.266 120.200 0.009 0.000 2.085 272 E HA -0.208 4.142 4.350 0.000 0.000 0.194 272 E C 2.272 178.887 176.600 0.025 0.000 0.994 272 E CA 1.968 58.373 56.400 0.009 0.000 0.801 272 E CB -1.651 28.049 29.700 -0.002 0.000 0.743 272 E HN 0.623 nan 8.360 nan 0.000 0.453 273 T N 0.361 114.935 114.554 0.034 0.000 2.737 273 T HA -0.054 4.296 4.350 0.000 0.000 0.265 273 T C 2.028 176.753 174.700 0.042 0.000 1.038 273 T CA 1.199 63.336 62.100 0.062 0.000 1.144 273 T CB -0.364 68.550 68.868 0.078 0.000 0.866 273 T HN 0.280 nan 8.240 nan 0.000 0.434 274 L N 1.500 122.723 121.223 -0.000 0.000 2.012 274 L HA -0.083 4.257 4.340 0.000 0.000 0.210 274 L C 2.454 179.272 176.870 -0.087 0.000 1.073 274 L CA 1.559 56.364 54.840 -0.058 0.000 0.748 274 L CB -0.875 41.123 42.059 -0.100 0.000 0.891 274 L HN 0.078 nan 8.230 nan 0.000 0.431 275 V N -0.077 119.797 119.914 -0.066 0.000 2.255 275 V HA -0.331 3.789 4.120 0.000 0.000 0.247 275 V C 2.242 178.395 176.094 0.098 0.000 1.051 275 V CA 2.205 64.483 62.300 -0.037 0.000 1.018 275 V CB -0.796 31.061 31.823 0.057 0.000 0.641 275 V HN 0.489 nan 8.190 nan 0.000 0.445 276 D N -0.082 120.423 120.400 0.174 0.000 2.224 276 D HA -0.051 4.589 4.640 0.000 0.000 0.205 276 D C 2.158 178.546 176.300 0.147 0.000 0.965 276 D CA 1.388 55.544 54.000 0.260 0.000 0.852 276 D CB -0.081 40.863 40.800 0.240 0.000 0.947 276 D HN 0.467 nan 8.370 nan 0.000 0.494 277 A N 0.444 123.295 122.820 0.052 0.000 1.898 277 A HA -0.146 4.174 4.320 0.000 0.000 0.216 277 A C 2.496 180.032 177.584 -0.079 0.000 1.181 277 A CA 0.915 52.947 52.037 -0.010 0.000 0.620 277 A CB -0.797 18.184 19.000 -0.031 0.000 0.819 277 A HN 0.311 nan 8.150 nan 0.000 0.442 278 C N -2.682 116.529 119.300 -0.148 0.000 2.435 278 C HA -0.128 4.332 4.460 0.000 0.000 0.279 278 C C 2.392 177.174 174.990 -0.347 0.000 1.321 278 C CA 0.403 59.259 59.018 -0.270 0.000 1.752 278 C CB -1.769 25.747 27.740 -0.374 0.000 1.959 278 C HN 0.826 nan 8.230 nan 0.000 0.500 279 W N 0.947 122.095 121.300 -0.253 0.000 2.381 279 W HA -0.054 4.606 4.660 0.000 0.000 0.301 279 W C 2.673 178.683 176.519 -0.849 0.000 1.205 279 W CA 1.052 58.093 57.345 -0.506 0.000 1.285 279 W CB -0.548 28.700 29.460 -0.353 0.000 1.133 279 W HN 0.246 nan 8.180 nan 0.000 0.521 280 A N 0.566 123.267 122.820 -0.199 0.000 1.892 280 A HA -0.239 4.081 4.320 0.000 0.000 0.218 280 A C 1.831 179.363 177.584 -0.087 0.000 1.188 280 A CA 2.010 53.986 52.037 -0.100 0.000 0.631 280 A CB -1.068 17.941 19.000 0.016 0.000 0.822 280 A HN 0.309 nan 8.150 nan 0.000 0.447 281 I N 0.698 121.209 120.570 -0.099 0.000 2.286 281 I HA -0.262 3.908 4.170 0.000 0.000 0.248 281 I C 2.864 178.960 176.117 -0.035 0.000 1.115 281 I CA 1.605 62.876 61.300 -0.048 0.000 1.392 281 I CB -0.305 37.651 38.000 -0.074 0.000 1.065 281 I HN 0.544 nan 8.210 nan 0.000 0.418 282 S N 0.208 115.833 115.700 -0.126 0.000 2.402 282 S HA -0.194 4.276 4.470 0.000 0.000 0.229 282 S C 2.022 176.707 174.600 0.141 0.000 1.021 282 S CA 0.945 59.125 58.200 -0.033 0.000 0.974 282 S CB -0.900 62.251 63.200 -0.082 0.000 0.800 282 S HN 0.522 nan 8.310 nan 0.000 0.484 283 Y N 1.400 121.790 120.300 0.150 0.000 2.263 283 Y HA 0.119 4.669 4.550 0.000 0.000 0.292 283 Y C 2.384 178.357 175.900 0.123 0.000 1.130 283 Y CA 0.530 58.709 58.100 0.133 0.000 1.179 283 Y CB -0.258 38.279 38.460 0.128 0.000 0.998 283 Y HN 0.222 nan 8.280 nan 0.000 0.532 284 L N -1.062 120.329 121.223 0.280 0.000 2.240 284 L HA -0.135 4.205 4.340 0.000 0.000 0.211 284 L C 2.119 179.098 176.870 0.182 0.000 1.106 284 L CA 0.728 55.738 54.840 0.283 0.000 0.793 284 L CB -0.340 41.898 42.059 0.300 0.000 0.927 284 L HN 0.065 nan 8.230 nan 0.000 0.446 285 S N -1.342 114.436 115.700 0.130 0.000 2.527 285 S HA -0.080 4.390 4.470 0.000 0.000 0.222 285 S C 0.635 175.272 174.600 0.062 0.000 0.985 285 S CA 0.283 58.525 58.200 0.071 0.000 0.921 285 S CB -0.224 63.008 63.200 0.053 0.000 0.772 285 S HN 0.300 nan 8.310 nan 0.000 0.529 286 D N 1.286 121.750 120.400 0.106 0.000 2.522 286 D HA 0.514 5.154 4.640 0.000 0.000 0.218 286 D C 0.316 176.642 176.300 0.043 0.000 1.149 286 D CA 0.061 54.120 54.000 0.098 0.000 0.981 286 D CB -0.304 40.589 40.800 0.156 0.000 1.041 286 D HN 0.282 nan 8.370 nan 0.000 0.518 287 G N 2.242 111.031 108.800 -0.018 0.000 2.510 287 G HA2 0.339 4.299 3.960 0.000 0.000 0.277 287 G HA3 0.339 4.299 3.960 0.000 0.000 0.277 287 G C -2.619 172.207 174.900 -0.124 0.000 1.223 287 G CA -0.822 44.230 45.100 -0.080 0.000 0.887 287 G HN 0.266 nan 8.290 nan 0.000 0.485 288 P HA 0.233 nan 4.420 nan 0.000 0.273 288 P C 0.706 177.885 177.300 -0.201 0.000 1.250 288 P CA -0.314 62.672 63.100 -0.190 0.000 0.793 288 P CB 0.815 32.373 31.700 -0.238 0.000 1.011 289 Q N 0.408 120.122 119.800 -0.144 0.000 2.152 289 Q HA -0.272 4.068 4.340 0.000 0.000 0.206 289 Q C 2.032 177.947 176.000 -0.142 0.000 0.985 289 Q CA 2.107 57.842 55.803 -0.114 0.000 0.863 289 Q CB -0.125 28.567 28.738 -0.076 0.000 0.904 289 Q HN 0.416 nan 8.270 nan 0.000 0.422 290 E N -0.559 119.523 120.200 -0.198 0.000 2.077 290 E HA -0.178 4.172 4.350 0.000 0.000 0.193 290 E C 1.768 178.180 176.600 -0.313 0.000 0.989 290 E CA 1.109 57.386 56.400 -0.204 0.000 0.800 290 E CB -0.467 29.096 29.700 -0.229 0.000 0.746 290 E HN 0.607 nan 8.360 nan 0.000 0.452 291 A N 0.572 123.011 122.820 -0.636 0.000 1.855 291 A HA -0.007 4.313 4.320 0.000 0.000 0.215 291 A C 2.398 179.860 177.584 -0.203 0.000 1.191 291 A CA 1.607 53.149 52.037 -0.825 0.000 0.613 291 A CB -0.690 17.746 19.000 -0.940 0.000 0.829 291 A HN 0.539 nan 8.150 nan 0.000 0.442 292 I N -0.737 119.740 120.570 -0.155 0.000 2.208 292 I HA -0.305 3.865 4.170 0.000 0.000 0.245 292 I C 2.790 178.899 176.117 -0.013 0.000 1.097 292 I CA 1.897 63.164 61.300 -0.054 0.000 1.363 292 I CB -0.308 37.657 38.000 -0.059 0.000 1.051 292 I HN 0.394 nan 8.210 nan 0.000 0.413 293 Q N 1.098 120.884 119.800 -0.022 0.000 2.124 293 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 293 Q C 2.154 178.192 176.000 0.064 0.000 0.977 293 Q CA 2.084 57.895 55.803 0.013 0.000 0.850 293 Q CB -0.281 28.460 28.738 0.005 0.000 0.901 293 Q HN 0.504 nan 8.270 nan 0.000 0.429 294 A N -0.812 122.085 122.820 0.128 0.000 1.930 294 A HA -0.104 4.216 4.320 0.000 0.000 0.217 294 A C 2.240 179.916 177.584 0.154 0.000 1.175 294 A CA 1.514 53.677 52.037 0.210 0.000 0.627 294 A CB -0.692 18.598 19.000 0.484 0.000 0.815 294 A HN 0.262 nan 8.150 nan 0.000 0.443 295 V N 0.179 120.178 119.914 0.142 0.000 2.358 295 V HA -0.244 3.876 4.120 0.000 0.000 0.246 295 V C 2.406 178.532 176.094 0.054 0.000 1.047 295 V CA 1.949 64.306 62.300 0.095 0.000 1.035 295 V CB -0.598 31.272 31.823 0.079 0.000 0.658 295 V HN 0.572 nan 8.190 nan 0.000 0.452 296 I N 0.071 120.665 120.570 0.040 0.000 2.226 296 I HA -0.216 3.954 4.170 0.000 0.000 0.245 296 I C 2.236 178.369 176.117 0.028 0.000 1.100 296 I CA 1.512 62.826 61.300 0.023 0.000 1.374 296 I CB -0.498 37.509 38.000 0.011 0.000 1.057 296 I HN 0.331 nan 8.210 nan 0.000 0.413 297 D N 0.219 120.642 120.400 0.038 0.000 2.178 297 D HA -0.141 4.499 4.640 0.000 0.000 0.201 297 D C 1.976 178.294 176.300 0.030 0.000 0.980 297 D CA 1.061 55.082 54.000 0.034 0.000 0.842 297 D CB -0.104 40.722 40.800 0.044 0.000 0.948 297 D HN 0.200 nan 8.370 nan 0.000 0.472 298 V N 0.999 120.934 119.914 0.035 0.000 3.623 298 V HA -0.007 4.113 4.120 0.000 0.000 0.271 298 V C 0.047 176.159 176.094 0.030 0.000 1.248 298 V CA 0.228 62.544 62.300 0.026 0.000 1.156 298 V CB -0.687 31.150 31.823 0.024 0.000 0.870 298 V HN 0.155 nan 8.190 nan 0.000 0.453 299 R N -0.940 119.579 120.500 0.032 0.000 3.656 299 R HA -0.209 4.131 4.340 0.000 0.000 0.297 299 R C 0.921 177.253 176.300 0.053 0.000 1.166 299 R CA 1.211 57.333 56.100 0.037 0.000 0.799 299 R CB -2.904 27.417 30.300 0.036 0.000 1.285 299 R HN 0.528 nan 8.270 nan 0.000 0.477 300 I N 0.325 120.919 120.570 0.040 0.000 2.394 300 I HA -0.129 4.041 4.170 0.000 0.000 0.251 300 I C -0.613 175.504 176.117 -0.001 0.000 1.136 300 I CA 0.928 62.245 61.300 0.027 0.000 1.425 300 I CB -0.696 37.311 38.000 0.010 0.000 1.079 300 I HN 0.119 nan 8.210 nan 0.000 0.425 301 P HA -0.257 nan 4.420 nan 0.000 0.215 301 P C 1.570 178.858 177.300 -0.021 0.000 1.163 301 P CA 1.546 64.635 63.100 -0.020 0.000 0.894 301 P CB -0.055 31.636 31.700 -0.015 0.000 0.791 302 K N -0.509 119.892 120.400 0.001 0.000 2.089 302 K HA -0.264 4.056 4.320 0.000 0.000 0.210 302 K C 2.296 178.887 176.600 -0.015 0.000 1.048 302 K CA 1.625 57.917 56.287 0.008 0.000 0.926 302 K CB -0.181 32.345 32.500 0.043 0.000 0.714 302 K HN -0.180 nan 8.250 nan 0.000 0.448 303 R N 0.945 121.424 120.500 -0.035 0.000 2.073 303 R HA 0.040 4.380 4.340 0.000 0.000 0.229 303 R C 2.172 178.375 176.300 -0.162 0.000 1.120 303 R CA 1.195 57.196 56.100 -0.165 0.000 0.967 303 R CB -0.563 29.525 30.300 -0.354 0.000 0.862 303 R HN 0.261 nan 8.270 nan 0.000 0.436 304 L N -0.314 120.837 121.223 -0.121 0.000 2.042 304 L HA -0.190 4.150 4.340 0.000 0.000 0.210 304 L C 2.266 179.080 176.870 -0.094 0.000 1.076 304 L CA 1.284 56.054 54.840 -0.117 0.000 0.749 304 L CB -0.614 41.386 42.059 -0.098 0.000 0.893 304 L HN 0.029 nan 8.230 nan 0.000 0.432 305 V N 0.109 119.981 119.914 -0.071 0.000 2.287 305 V HA -0.306 3.814 4.120 0.000 0.000 0.248 305 V C 2.391 178.455 176.094 -0.051 0.000 1.053 305 V CA 2.084 64.352 62.300 -0.055 0.000 1.027 305 V CB -0.575 31.224 31.823 -0.040 0.000 0.646 305 V HN 0.504 nan 8.190 nan 0.000 0.447 306 E N 0.087 120.252 120.200 -0.057 0.000 2.110 306 E HA -0.179 4.171 4.350 0.000 0.000 0.193 306 E C 2.117 178.690 176.600 -0.045 0.000 0.988 306 E CA 1.129 57.500 56.400 -0.049 0.000 0.804 306 E CB -0.249 29.417 29.700 -0.058 0.000 0.745 306 E HN 0.514 nan 8.360 nan 0.000 0.458 307 L N 0.927 122.109 121.223 -0.068 0.000 2.456 307 L HA -0.109 4.231 4.340 0.000 0.000 0.224 307 L C 2.134 178.991 176.870 -0.021 0.000 1.148 307 L CA 0.323 55.139 54.840 -0.041 0.000 0.825 307 L CB -0.271 41.720 42.059 -0.113 0.000 0.937 307 L HN 0.181 nan 8.230 nan 0.000 0.450 308 L N -0.417 120.783 121.223 -0.038 0.000 2.353 308 L HA -0.139 4.201 4.340 0.000 0.000 0.220 308 L C 2.034 178.901 176.870 -0.004 0.000 1.133 308 L CA 1.218 56.040 54.840 -0.030 0.000 0.798 308 L CB -0.370 41.669 42.059 -0.034 0.000 0.922 308 L HN 0.388 nan 8.230 nan 0.000 0.445 309 S N -2.994 112.710 115.700 0.006 0.000 2.601 309 S HA 0.053 4.523 4.470 0.000 0.000 0.244 309 S C 0.560 175.174 174.600 0.024 0.000 1.001 309 S CA -0.646 57.559 58.200 0.008 0.000 0.984 309 S CB -0.391 62.803 63.200 -0.010 0.000 0.842 309 S HN 0.302 nan 8.310 nan 0.000 0.474 310 H N 2.928 121.969 119.070 -0.048 0.000 2.815 310 H HA 0.066 4.622 4.556 0.000 0.000 0.350 310 H C 1.330 176.640 175.328 -0.031 0.000 1.080 310 H CA 1.328 57.349 56.048 -0.045 0.000 1.433 310 H CB 0.950 30.677 29.762 -0.059 0.000 1.432 310 H HN 0.634 nan 8.280 nan 0.000 0.592 311 E N 2.038 122.129 120.200 -0.180 0.000 2.267 311 E HA -0.120 4.230 4.350 0.000 0.000 0.197 311 E C 0.245 176.917 176.600 0.120 0.000 0.998 311 E CA 0.556 56.935 56.400 -0.035 0.000 0.830 311 E CB 0.177 29.809 29.700 -0.114 0.000 0.751 311 E HN 0.194 nan 8.360 nan 0.000 0.491 312 S N 0.503 116.426 115.700 0.372 0.000 2.442 312 S HA 0.143 4.613 4.470 0.000 0.000 0.297 312 S C 0.918 175.577 174.600 0.098 0.000 1.131 312 S CA -0.239 58.084 58.200 0.205 0.000 1.092 312 S CB 1.428 64.737 63.200 0.182 0.000 0.998 312 S HN 0.304 nan 8.310 nan 0.000 0.478 313 T N 3.649 118.236 114.554 0.055 0.000 3.051 313 T HA 0.013 4.363 4.350 0.000 0.000 0.269 313 T C 1.656 176.358 174.700 0.003 0.000 1.127 313 T CA 0.646 62.761 62.100 0.025 0.000 1.107 313 T CB -0.408 68.480 68.868 0.033 0.000 0.898 313 T HN 0.620 nan 8.240 nan 0.000 0.517 314 L N 0.295 121.520 121.223 0.005 0.000 2.291 314 L HA 0.034 4.374 4.340 0.000 0.000 0.214 314 L C 2.552 179.370 176.870 -0.086 0.000 1.120 314 L CA 0.539 55.385 54.840 0.010 0.000 0.799 314 L CB -0.316 41.760 42.059 0.028 0.000 0.925 314 L HN 0.232 nan 8.230 nan 0.000 0.446 315 V N -1.220 118.583 119.914 -0.184 0.000 2.575 315 V HA -0.120 4.000 4.120 0.000 0.000 0.242 315 V C 2.251 178.193 176.094 -0.253 0.000 1.045 315 V CA 0.847 62.956 62.300 -0.318 0.000 1.065 315 V CB -0.122 31.317 31.823 -0.640 0.000 0.717 315 V HN 0.363 nan 8.190 nan 0.000 0.467 316 Q N 0.127 119.840 119.800 -0.145 0.000 2.061 316 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 316 Q C 2.327 178.241 176.000 -0.144 0.000 0.984 316 Q CA 2.368 58.109 55.803 -0.103 0.000 0.846 316 Q CB -0.420 28.299 28.738 -0.031 0.000 0.902 316 Q HN 0.628 nan 8.270 nan 0.000 0.421 317 T N 1.669 116.138 114.554 -0.142 0.000 2.580 317 T HA -0.147 4.203 4.350 0.000 0.000 0.265 317 T C -0.975 173.490 174.700 -0.392 0.000 1.063 317 T CA 1.854 63.859 62.100 -0.158 0.000 1.170 317 T CB -1.277 67.572 68.868 -0.031 0.000 0.863 317 T HN 0.357 nan 8.240 nan 0.000 0.418 318 P HA 0.021 nan 4.420 nan 0.000 0.217 318 P C 1.441 178.381 177.300 -0.599 0.000 1.151 318 P CA 1.405 63.773 63.100 -1.220 0.000 0.828 318 P CB -0.155 30.351 31.700 -1.989 0.000 0.788 319 A N 0.243 122.810 122.820 -0.421 0.000 1.902 319 A HA -0.171 4.149 4.320 0.000 0.000 0.217 319 A C 2.248 179.728 177.584 -0.174 0.000 1.181 319 A CA 1.591 53.471 52.037 -0.262 0.000 0.623 319 A CB -1.646 17.230 19.000 -0.207 0.000 0.818 319 A HN 0.186 nan 8.150 nan 0.000 0.443 320 L N -0.396 120.739 121.223 -0.145 0.000 2.093 320 L HA -0.058 4.282 4.340 0.000 0.000 0.208 320 L C 2.342 179.223 176.870 0.018 0.000 1.085 320 L CA 2.332 57.141 54.840 -0.052 0.000 0.755 320 L CB -0.691 41.357 42.059 -0.018 0.000 0.904 320 L HN 0.402 nan 8.230 nan 0.000 0.435 321 R N 0.259 120.745 120.500 -0.023 0.000 2.081 321 R HA -0.050 4.290 4.340 0.000 0.000 0.235 321 R C 2.143 178.504 176.300 0.101 0.000 1.131 321 R CA 1.787 57.948 56.100 0.100 0.000 0.960 321 R CB -0.979 29.309 30.300 -0.021 0.000 0.856 321 R HN 0.440 nan 8.270 nan 0.000 0.436 322 A N -0.143 122.652 122.820 -0.042 0.000 1.877 322 A HA -0.103 4.217 4.320 0.000 0.000 0.216 322 A C 2.366 179.940 177.584 -0.017 0.000 1.186 322 A CA 1.845 53.861 52.037 -0.034 0.000 0.620 322 A CB -0.859 18.078 19.000 -0.104 0.000 0.822 322 A HN 0.188 nan 8.150 nan 0.000 0.443 323 V N -0.010 119.877 119.914 -0.044 0.000 2.332 323 V HA -0.213 3.907 4.120 0.000 0.000 0.248 323 V C 2.805 178.837 176.094 -0.105 0.000 1.055 323 V CA 2.053 64.312 62.300 -0.067 0.000 1.038 323 V CB -1.472 30.306 31.823 -0.075 0.000 0.651 323 V HN 0.632 nan 8.190 nan 0.000 0.450 324 G N 0.142 108.887 108.800 -0.092 0.000 2.422 324 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 324 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 324 G C 1.399 176.150 174.900 -0.249 0.000 1.146 324 G CA 0.834 45.698 45.100 -0.393 0.000 0.769 324 G HN 0.535 nan 8.290 nan 0.000 0.547 325 N N 0.669 119.429 118.700 0.101 0.000 2.244 325 N HA -0.019 4.721 4.740 0.000 0.000 0.183 325 N C 2.182 177.697 175.510 0.007 0.000 1.016 325 N CA 0.633 53.763 53.050 0.133 0.000 0.866 325 N CB -0.140 38.445 38.487 0.162 0.000 0.980 325 N HN 0.369 nan 8.380 nan 0.000 0.430 326 I N 0.827 121.377 120.570 -0.034 0.000 2.315 326 I HA -0.149 4.021 4.170 0.000 0.000 0.248 326 I C 1.751 177.819 176.117 -0.082 0.000 1.117 326 I CA 0.765 62.036 61.300 -0.050 0.000 1.404 326 I CB -0.216 37.756 38.000 -0.047 0.000 1.071 326 I HN -0.037 nan 8.210 nan 0.000 0.419 327 V N -1.709 118.122 119.914 -0.137 0.000 3.592 327 V HA -0.008 4.112 4.120 0.000 0.000 0.272 327 V C 1.889 177.885 176.094 -0.163 0.000 1.228 327 V CA 1.219 63.424 62.300 -0.159 0.000 1.173 327 V CB -1.663 30.033 31.823 -0.211 0.000 0.873 327 V HN 0.522 nan 8.190 nan 0.000 0.476 328 T N -2.763 111.714 114.554 -0.128 0.000 3.081 328 T HA 0.340 4.690 4.350 0.000 0.000 0.250 328 T C 1.110 175.776 174.700 -0.056 0.000 1.100 328 T CA 0.514 62.562 62.100 -0.086 0.000 1.038 328 T CB -0.064 68.796 68.868 -0.014 0.000 0.962 328 T HN 0.681 nan 8.240 nan 0.000 0.516 329 G N 2.287 111.051 108.800 -0.060 0.000 2.553 329 G HA2 0.418 4.378 3.960 0.000 0.000 0.278 329 G HA3 0.418 4.378 3.960 0.000 0.000 0.278 329 G C 0.045 174.918 174.900 -0.045 0.000 1.349 329 G CA -0.764 44.306 45.100 -0.049 0.000 1.037 329 G HN 0.656 nan 8.290 nan 0.000 0.508 330 N N -1.056 117.622 118.700 -0.037 0.000 2.288 330 N HA 0.063 4.803 4.740 0.000 0.000 0.237 330 N C 0.371 175.862 175.510 -0.031 0.000 1.311 330 N CA 0.215 53.247 53.050 -0.030 0.000 0.909 330 N CB 0.373 38.846 38.487 -0.025 0.000 1.167 330 N HN 0.374 nan 8.380 nan 0.000 0.476 331 D N -0.674 119.711 120.400 -0.025 0.000 2.149 331 D HA -0.121 4.519 4.640 0.000 0.000 0.198 331 D C 1.608 177.893 176.300 -0.025 0.000 0.990 331 D CA 1.283 55.268 54.000 -0.024 0.000 0.839 331 D CB -0.145 40.645 40.800 -0.017 0.000 0.948 331 D HN 0.455 nan 8.370 nan 0.000 0.460 332 L N 0.175 121.386 121.223 -0.021 0.000 2.056 332 L HA -0.173 4.167 4.340 0.000 0.000 0.207 332 L C 2.405 179.262 176.870 -0.022 0.000 1.078 332 L CA 1.140 55.968 54.840 -0.019 0.000 0.749 332 L CB -0.465 41.585 42.059 -0.015 0.000 0.901 332 L HN 0.070 nan 8.230 nan 0.000 0.433 333 Q N -0.613 119.172 119.800 -0.026 0.000 2.124 333 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 333 Q C 2.175 178.153 176.000 -0.037 0.000 0.977 333 Q CA 1.910 57.696 55.803 -0.029 0.000 0.850 333 Q CB -0.273 28.445 28.738 -0.033 0.000 0.901 333 Q HN 0.462 nan 8.270 nan 0.000 0.429 334 T N 0.799 115.327 114.554 -0.043 0.000 2.788 334 T HA -0.185 4.165 4.350 0.000 0.000 0.268 334 T C 1.734 176.406 174.700 -0.046 0.000 1.044 334 T CA 1.382 63.449 62.100 -0.054 0.000 1.139 334 T CB -0.142 68.690 68.868 -0.060 0.000 0.867 334 T HN 0.159 nan 8.240 nan 0.000 0.454 335 Q N 0.900 120.679 119.800 -0.035 0.000 2.226 335 Q HA -0.039 4.301 4.340 0.000 0.000 0.204 335 Q C 2.111 178.095 176.000 -0.027 0.000 0.975 335 Q CA 1.049 56.834 55.803 -0.029 0.000 0.866 335 Q CB -0.670 28.055 28.738 -0.023 0.000 0.915 335 Q HN 0.364 nan 8.270 nan 0.000 0.440 336 V N -0.779 119.120 119.914 -0.025 0.000 2.343 336 V HA -0.228 3.892 4.120 0.000 0.000 0.247 336 V C 2.136 178.216 176.094 -0.025 0.000 1.051 336 V CA 1.623 63.911 62.300 -0.021 0.000 1.036 336 V CB -0.461 31.352 31.823 -0.017 0.000 0.654 336 V HN 0.248 nan 8.190 nan 0.000 0.451 337 V N -0.272 119.621 119.914 -0.035 0.000 2.427 337 V HA -0.210 3.910 4.120 0.000 0.000 0.248 337 V C 2.153 178.224 176.094 -0.039 0.000 1.051 337 V CA 1.833 64.109 62.300 -0.041 0.000 1.048 337 V CB -0.513 31.276 31.823 -0.058 0.000 0.666 337 V HN 0.438 nan 8.190 nan 0.000 0.456 338 I N 0.874 121.421 120.570 -0.039 0.000 2.226 338 I HA -0.204 3.966 4.170 0.000 0.000 0.245 338 I C 2.213 178.313 176.117 -0.027 0.000 1.100 338 I CA 1.379 62.658 61.300 -0.035 0.000 1.374 338 I CB -0.492 37.487 38.000 -0.034 0.000 1.057 338 I HN 0.374 nan 8.210 nan 0.000 0.413 339 N N 1.284 119.970 118.700 -0.023 0.000 2.453 339 N HA -0.062 4.678 4.740 0.000 0.000 0.183 339 N C 1.528 177.028 175.510 -0.015 0.000 1.041 339 N CA 1.147 54.186 53.050 -0.018 0.000 0.900 339 N CB -0.179 38.299 38.487 -0.015 0.000 0.961 339 N HN 0.310 nan 8.380 nan 0.000 0.443 340 A N 0.164 122.973 122.820 -0.018 0.000 2.278 340 A HA 0.417 4.737 4.320 0.000 0.000 0.212 340 A C 1.345 178.919 177.584 -0.018 0.000 1.213 340 A CA 0.463 52.491 52.037 -0.015 0.000 0.840 340 A CB -0.481 18.508 19.000 -0.017 0.000 0.866 340 A HN 0.259 nan 8.150 nan 0.000 0.489 341 G N -1.314 107.474 108.800 -0.020 0.000 2.182 341 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 341 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 341 G C 0.870 175.755 174.900 -0.025 0.000 1.042 341 G CA 0.524 45.612 45.100 -0.020 0.000 0.775 341 G HN 0.994 nan 8.290 nan 0.000 0.501 342 V N 0.042 119.937 119.914 -0.032 0.000 2.515 342 V HA -0.026 4.094 4.120 0.000 0.000 0.250 342 V C 2.712 178.786 176.094 -0.033 0.000 1.058 342 V CA 2.501 64.778 62.300 -0.038 0.000 1.064 342 V CB -0.232 31.561 31.823 -0.051 0.000 0.675 342 V HN 0.562 nan 8.190 nan 0.000 0.461 343 L N 0.261 121.465 121.223 -0.030 0.000 1.989 343 L HA -0.123 4.217 4.340 0.000 0.000 0.211 343 L C 0.149 177.009 176.870 -0.016 0.000 1.071 343 L CA 2.092 56.918 54.840 -0.024 0.000 0.749 343 L CB -2.081 39.964 42.059 -0.023 0.000 0.890 343 L HN 0.340 nan 8.230 nan 0.000 0.431 344 P HA -0.112 nan 4.420 nan 0.000 0.218 344 P C 1.421 178.716 177.300 -0.010 0.000 1.149 344 P CA 1.536 64.629 63.100 -0.010 0.000 0.817 344 P CB 0.021 31.714 31.700 -0.011 0.000 0.785 345 A N -0.463 122.349 122.820 -0.014 0.000 1.898 345 A HA -0.148 4.172 4.320 0.000 0.000 0.216 345 A C 2.158 179.736 177.584 -0.011 0.000 1.181 345 A CA 1.336 53.365 52.037 -0.014 0.000 0.620 345 A CB -1.655 17.333 19.000 -0.021 0.000 0.819 345 A HN 0.109 nan 8.150 nan 0.000 0.442 346 L N -1.031 120.184 121.223 -0.014 0.000 2.131 346 L HA -0.166 4.174 4.340 0.000 0.000 0.210 346 L C 2.755 179.625 176.870 0.001 0.000 1.092 346 L CA 1.488 56.322 54.840 -0.009 0.000 0.759 346 L CB -0.412 41.637 42.059 -0.018 0.000 0.903 346 L HN 0.471 nan 8.230 nan 0.000 0.435 347 R N 0.596 121.097 120.500 0.001 0.000 2.091 347 R HA -0.180 4.160 4.340 0.000 0.000 0.238 347 R C 2.248 178.553 176.300 0.008 0.000 1.136 347 R CA 1.460 57.564 56.100 0.007 0.000 0.959 347 R CB -0.180 30.123 30.300 0.005 0.000 0.856 347 R HN 0.335 nan 8.270 nan 0.000 0.437 348 L N 0.482 121.707 121.223 0.005 0.000 2.109 348 L HA -0.123 4.217 4.340 0.000 0.000 0.207 348 L C 2.297 179.172 176.870 0.009 0.000 1.086 348 L CA 0.783 55.626 54.840 0.006 0.000 0.760 348 L CB -0.301 41.759 42.059 0.002 0.000 0.910 348 L HN 0.247 nan 8.230 nan 0.000 0.437 349 L N -0.316 120.913 121.223 0.010 0.000 2.275 349 L HA -0.177 4.163 4.340 0.000 0.000 0.215 349 L C 2.317 179.200 176.870 0.022 0.000 1.119 349 L CA 0.760 55.609 54.840 0.015 0.000 0.790 349 L CB -0.403 41.665 42.059 0.015 0.000 0.919 349 L HN 0.311 nan 8.230 nan 0.000 0.443 350 L N -0.393 120.843 121.223 0.022 0.000 2.456 350 L HA -0.113 4.227 4.340 0.000 0.000 0.224 350 L C 2.034 178.918 176.870 0.024 0.000 1.148 350 L CA 1.095 55.951 54.840 0.027 0.000 0.825 350 L CB -0.361 41.713 42.059 0.026 0.000 0.937 350 L HN 0.381 nan 8.230 nan 0.000 0.450 351 S N -2.765 112.946 115.700 0.019 0.000 2.602 351 S HA 0.085 4.555 4.470 0.000 0.000 0.240 351 S C 0.653 175.263 174.600 0.017 0.000 0.992 351 S CA -0.530 57.680 58.200 0.017 0.000 0.971 351 S CB 0.225 63.433 63.200 0.013 0.000 0.855 351 S HN 0.195 nan 8.310 nan 0.000 0.481 352 S N 3.446 119.158 115.700 0.020 0.000 2.560 352 S HA 0.209 4.679 4.470 0.000 0.000 0.284 352 S C -0.794 173.819 174.600 0.021 0.000 1.327 352 S CA -0.889 57.323 58.200 0.020 0.000 1.055 352 S CB 0.744 63.957 63.200 0.023 0.000 0.868 352 S HN 0.333 nan 8.310 nan 0.000 0.506 353 P HA -0.019 nan 4.420 nan 0.000 0.223 353 P C -0.409 176.904 177.300 0.023 0.000 1.151 353 P CA 0.765 63.877 63.100 0.019 0.000 0.787 353 P CB 0.134 31.844 31.700 0.018 0.000 0.788 354 K N 1.244 121.659 120.400 0.026 0.000 2.285 354 K HA 0.095 4.415 4.320 0.000 0.000 0.286 354 K C 1.086 177.705 176.600 0.032 0.000 1.072 354 K CA -0.210 56.094 56.287 0.029 0.000 0.913 354 K CB 1.245 33.764 32.500 0.032 0.000 1.067 354 K HN -0.107 nan 8.250 nan 0.000 0.479 355 E N 2.774 122.993 120.200 0.032 0.000 2.118 355 E HA -0.199 4.151 4.350 0.000 0.000 0.195 355 E C 0.811 177.436 176.600 0.040 0.000 0.992 355 E CA 1.594 58.014 56.400 0.034 0.000 0.804 355 E CB 0.148 29.866 29.700 0.031 0.000 0.741 355 E HN 0.427 nan 8.360 nan 0.000 0.458 356 N N -0.019 118.706 118.700 0.041 0.000 2.453 356 N HA -0.100 4.640 4.740 0.000 0.000 0.183 356 N C 1.390 176.932 175.510 0.053 0.000 1.041 356 N CA 0.662 53.739 53.050 0.045 0.000 0.900 356 N CB 0.006 38.520 38.487 0.047 0.000 0.961 356 N HN 0.261 nan 8.380 nan 0.000 0.443 357 I N 1.451 122.050 120.570 0.048 0.000 2.333 357 I HA -0.136 4.034 4.170 0.000 0.000 0.246 357 I C 1.922 178.072 176.117 0.056 0.000 1.106 357 I CA 0.965 62.294 61.300 0.047 0.000 1.411 357 I CB -0.582 37.439 38.000 0.034 0.000 1.082 357 I HN 0.080 nan 8.210 nan 0.000 0.420 358 K N 0.474 120.905 120.400 0.052 0.000 2.057 358 K HA -0.167 4.153 4.320 0.000 0.000 0.206 358 K C 2.176 178.823 176.600 0.078 0.000 1.050 358 K CA 0.811 57.132 56.287 0.057 0.000 0.935 358 K CB -0.099 32.429 32.500 0.048 0.000 0.715 358 K HN 0.024 nan 8.250 nan 0.000 0.439 359 K N 1.849 122.296 120.400 0.079 0.000 2.015 359 K HA -0.206 4.114 4.320 0.000 0.000 0.216 359 K C 1.725 178.415 176.600 0.150 0.000 1.052 359 K CA 1.791 58.136 56.287 0.096 0.000 0.937 359 K CB -0.130 32.410 32.500 0.067 0.000 0.719 359 K HN 0.230 nan 8.250 nan 0.000 0.446 360 E N -0.696 119.600 120.200 0.159 0.000 2.435 360 E HA -0.017 4.333 4.350 0.000 0.000 0.195 360 E C 1.658 178.422 176.600 0.274 0.000 1.029 360 E CA 0.414 56.989 56.400 0.292 0.000 0.865 360 E CB 0.137 29.989 29.700 0.253 0.000 0.833 360 E HN 0.349 nan 8.360 nan 0.000 0.510 361 A N 0.429 123.339 122.820 0.149 0.000 1.897 361 A HA -0.146 4.174 4.320 0.000 0.000 0.215 361 A C 2.306 179.937 177.584 0.078 0.000 1.181 361 A CA 0.783 52.871 52.037 0.084 0.000 0.620 361 A CB -0.581 18.453 19.000 0.056 0.000 0.821 361 A HN 0.333 nan 8.150 nan 0.000 0.443 362 C N -2.531 116.839 119.300 0.116 0.000 2.446 362 C HA -0.104 4.356 4.460 0.000 0.000 0.277 362 C C 2.339 177.415 174.990 0.142 0.000 1.275 362 C CA 0.541 59.629 59.018 0.117 0.000 1.727 362 C CB -1.538 26.284 27.740 0.135 0.000 2.010 362 C HN 0.891 nan 8.230 nan 0.000 0.486 363 W N 2.040 123.349 121.300 0.015 0.000 2.335 363 W HA -0.168 4.492 4.660 0.000 0.000 0.311 363 W C 2.241 178.744 176.519 -0.027 0.000 1.213 363 W CA 2.313 59.646 57.345 -0.020 0.000 1.274 363 W CB -0.944 28.491 29.460 -0.042 0.000 1.148 363 W HN 0.185 nan 8.180 nan 0.000 0.498 364 T N 1.599 115.945 114.554 -0.348 0.000 2.720 364 T HA -0.234 4.116 4.350 0.000 0.000 0.268 364 T C 1.882 176.379 174.700 -0.338 0.000 1.037 364 T CA 2.258 64.023 62.100 -0.559 0.000 1.144 364 T CB -0.448 68.253 68.868 -0.279 0.000 0.864 364 T HN 0.210 nan 8.240 nan 0.000 0.444 365 I N 1.795 122.271 120.570 -0.158 0.000 2.315 365 I HA -0.182 3.988 4.170 0.000 0.000 0.248 365 I C 2.833 178.902 176.117 -0.079 0.000 1.117 365 I CA 1.323 62.570 61.300 -0.089 0.000 1.404 365 I CB -0.516 37.473 38.000 -0.019 0.000 1.071 365 I HN 0.343 nan 8.210 nan 0.000 0.419 366 S N 1.111 116.774 115.700 -0.063 0.000 2.383 366 S HA -0.189 4.281 4.470 0.000 0.000 0.229 366 S C 1.769 176.326 174.600 -0.071 0.000 1.030 366 S CA 1.318 59.522 58.200 0.007 0.000 1.002 366 S CB -0.564 62.704 63.200 0.114 0.000 0.829 366 S HN 0.424 nan 8.310 nan 0.000 0.467 367 N N 1.456 120.016 118.700 -0.234 0.000 2.453 367 N HA 0.157 4.897 4.740 0.000 0.000 0.183 367 N C 1.598 177.017 175.510 -0.152 0.000 1.041 367 N CA 1.036 53.946 53.050 -0.232 0.000 0.900 367 N CB -0.333 37.910 38.487 -0.407 0.000 0.961 367 N HN 0.545 nan 8.380 nan 0.000 0.443 368 I N 0.494 120.982 120.570 -0.136 0.000 2.400 368 I HA -0.138 4.032 4.170 0.000 0.000 0.248 368 I C 1.933 178.025 176.117 -0.043 0.000 1.109 368 I CA 1.024 62.271 61.300 -0.088 0.000 1.425 368 I CB -0.397 37.551 38.000 -0.085 0.000 1.094 368 I HN 0.124 nan 8.210 nan 0.000 0.425 369 T N -0.865 113.676 114.554 -0.021 0.000 3.113 369 T HA 0.072 4.422 4.350 0.000 0.000 0.263 369 T C 1.534 176.250 174.700 0.027 0.000 1.143 369 T CA 0.729 62.836 62.100 0.013 0.000 1.090 369 T CB -0.155 68.736 68.868 0.039 0.000 0.922 369 T HN 0.302 nan 8.240 nan 0.000 0.521 370 A N 0.753 123.582 122.820 0.015 0.000 2.251 370 A HA 0.636 4.956 4.320 0.000 0.000 0.209 370 A C 1.482 179.072 177.584 0.010 0.000 1.187 370 A CA 0.121 52.177 52.037 0.031 0.000 0.823 370 A CB -0.656 18.360 19.000 0.026 0.000 0.846 370 A HN 0.607 nan 8.150 nan 0.000 0.486 371 G N 0.511 109.308 108.800 -0.005 0.000 2.531 371 G HA2 0.350 4.310 3.960 0.000 0.000 0.253 371 G HA3 0.350 4.310 3.960 0.000 0.000 0.253 371 G C 0.186 175.085 174.900 -0.001 0.000 1.439 371 G CA -0.063 45.031 45.100 -0.011 0.000 1.056 371 G HN 0.610 nan 8.290 nan 0.000 0.555 372 N N -1.810 116.886 118.700 -0.006 0.000 2.327 372 N HA 0.184 4.924 4.740 0.000 0.000 0.257 372 N C 1.127 176.636 175.510 -0.001 0.000 1.281 372 N CA 0.360 53.409 53.050 -0.002 0.000 0.942 372 N CB -0.241 38.243 38.487 -0.005 0.000 1.199 372 N HN 0.234 nan 8.380 nan 0.000 0.532 373 T N -1.341 113.213 114.554 -0.000 0.000 2.720 373 T HA -0.184 4.166 4.350 0.000 0.000 0.268 373 T C 2.002 176.698 174.700 -0.007 0.000 1.037 373 T CA 2.433 64.533 62.100 -0.000 0.000 1.144 373 T CB -1.002 67.866 68.868 0.000 0.000 0.864 373 T HN 0.723 nan 8.240 nan 0.000 0.444 374 E N 1.669 121.862 120.200 -0.011 0.000 2.077 374 E HA -0.236 4.114 4.350 0.000 0.000 0.193 374 E C 1.941 178.530 176.600 -0.019 0.000 0.989 374 E CA 1.549 57.940 56.400 -0.016 0.000 0.800 374 E CB -1.018 28.673 29.700 -0.016 0.000 0.746 374 E HN 0.754 nan 8.360 nan 0.000 0.452 375 Q N -0.742 119.048 119.800 -0.017 0.000 2.172 375 Q HA 0.099 4.439 4.340 0.000 0.000 0.200 375 Q C 2.448 178.438 176.000 -0.016 0.000 0.964 375 Q CA 1.158 56.949 55.803 -0.020 0.000 0.855 375 Q CB -0.078 28.646 28.738 -0.023 0.000 0.918 375 Q HN 0.615 nan 8.270 nan 0.000 0.444 376 I N 0.469 121.034 120.570 -0.008 0.000 2.315 376 I HA -0.264 3.906 4.170 0.000 0.000 0.248 376 I C 2.466 178.579 176.117 -0.007 0.000 1.117 376 I CA 0.963 62.264 61.300 0.002 0.000 1.404 376 I CB -0.077 37.931 38.000 0.014 0.000 1.071 376 I HN 0.201 nan 8.210 nan 0.000 0.419 377 Q N 1.328 121.115 119.800 -0.021 0.000 2.119 377 Q HA -0.129 4.212 4.340 0.000 0.000 0.201 377 Q C 2.149 178.117 176.000 -0.053 0.000 0.972 377 Q CA 2.007 57.782 55.803 -0.046 0.000 0.847 377 Q CB -0.256 28.454 28.738 -0.046 0.000 0.903 377 Q HN 0.476 nan 8.270 nan 0.000 0.433 378 A N -0.595 122.203 122.820 -0.037 0.000 1.908 378 A HA -0.147 4.173 4.320 0.000 0.000 0.218 378 A C 2.252 179.817 177.584 -0.032 0.000 1.181 378 A CA 1.728 53.744 52.037 -0.036 0.000 0.627 378 A CB -0.879 18.103 19.000 -0.030 0.000 0.818 378 A HN 0.271 nan 8.150 nan 0.000 0.445 379 V N 0.147 120.049 119.914 -0.021 0.000 2.407 379 V HA -0.258 3.862 4.120 0.000 0.000 0.248 379 V C 2.405 178.499 176.094 0.000 0.000 1.055 379 V CA 1.948 64.245 62.300 -0.006 0.000 1.049 379 V CB -0.652 31.175 31.823 0.008 0.000 0.662 379 V HN 0.569 nan 8.190 nan 0.000 0.455 380 I N 0.188 120.745 120.570 -0.022 0.000 2.179 380 I HA -0.215 3.955 4.170 0.000 0.000 0.242 380 I C 2.157 178.199 176.117 -0.125 0.000 1.088 380 I CA 1.603 62.858 61.300 -0.076 0.000 1.357 380 I CB -0.480 37.395 38.000 -0.207 0.000 1.051 380 I HN 0.336 nan 8.210 nan 0.000 0.409 381 D N 1.119 121.452 120.400 -0.111 0.000 2.310 381 D HA -0.068 4.572 4.640 0.000 0.000 0.212 381 D C 1.907 178.177 176.300 -0.050 0.000 0.965 381 D CA 1.047 54.991 54.000 -0.094 0.000 0.879 381 D CB 0.023 40.776 40.800 -0.078 0.000 0.921 381 D HN 0.338 nan 8.370 nan 0.000 0.510 382 A N 0.693 123.495 122.820 -0.031 0.000 2.251 382 A HA -0.031 4.289 4.320 0.000 0.000 0.209 382 A C 0.493 178.079 177.584 0.003 0.000 1.187 382 A CA -0.105 51.924 52.037 -0.014 0.000 0.823 382 A CB -0.209 18.784 19.000 -0.012 0.000 0.846 382 A HN 0.082 nan 8.150 nan 0.000 0.486 383 N N -1.105 117.603 118.700 0.013 0.000 2.740 383 N HA -0.160 4.580 4.740 0.000 0.000 0.248 383 N C 0.435 175.978 175.510 0.056 0.000 1.062 383 N CA 1.023 54.102 53.050 0.048 0.000 0.704 383 N CB -1.625 36.883 38.487 0.035 0.000 0.968 383 N HN 0.574 nan 8.380 nan 0.000 0.547 384 L N -0.550 120.708 121.223 0.058 0.000 2.477 384 L HA 0.106 4.447 4.340 0.000 0.000 0.220 384 L C 2.149 179.060 176.870 0.067 0.000 1.106 384 L CA 0.020 54.891 54.840 0.051 0.000 0.851 384 L CB -0.058 42.022 42.059 0.035 0.000 0.994 384 L HN 0.166 nan 8.230 nan 0.000 0.462 385 I N 0.758 121.396 120.570 0.113 0.000 2.142 385 I HA -0.137 4.033 4.170 0.000 0.000 0.240 385 I C 0.019 176.155 176.117 0.032 0.000 1.078 385 I CA 1.612 62.970 61.300 0.096 0.000 1.343 385 I CB -2.339 35.772 38.000 0.185 0.000 1.046 385 I HN 0.120 nan 8.210 nan 0.000 0.405 386 P HA -0.131 nan 4.420 nan 0.000 0.214 386 P C -1.179 176.123 177.300 0.003 0.000 1.163 386 P CA 2.260 65.360 63.100 0.001 0.000 0.889 386 P CB -1.293 30.420 31.700 0.021 0.000 0.790 387 P HA -0.109 nan 4.420 nan 0.000 0.218 387 P C 1.623 178.934 177.300 0.018 0.000 1.149 387 P CA 1.337 64.447 63.100 0.016 0.000 0.817 387 P CB -0.369 31.343 31.700 0.021 0.000 0.785 388 L N -0.640 120.596 121.223 0.023 0.000 2.093 388 L HA -0.096 4.244 4.340 0.000 0.000 0.208 388 L C 2.653 179.531 176.870 0.014 0.000 1.085 388 L CA 1.063 55.919 54.840 0.027 0.000 0.755 388 L CB -0.710 41.370 42.059 0.037 0.000 0.904 388 L HN -0.162 nan 8.230 nan 0.000 0.435 389 V N -0.756 119.156 119.914 -0.004 0.000 2.548 389 V HA -0.240 3.880 4.120 0.000 0.000 0.249 389 V C 2.635 178.720 176.094 -0.015 0.000 1.055 389 V CA 1.374 63.661 62.300 -0.021 0.000 1.065 389 V CB -0.440 31.352 31.823 -0.051 0.000 0.681 389 V HN 0.287 nan 8.190 nan 0.000 0.462 390 K N -0.224 120.171 120.400 -0.008 0.000 2.097 390 K HA 0.059 4.379 4.320 0.000 0.000 0.205 390 K C 2.055 178.657 176.600 0.004 0.000 1.050 390 K CA 1.048 57.332 56.287 -0.005 0.000 0.938 390 K CB -0.569 31.930 32.500 -0.002 0.000 0.718 390 K HN 0.535 nan 8.250 nan 0.000 0.442 391 L N 0.302 121.533 121.223 0.013 0.000 2.141 391 L HA 0.006 4.346 4.340 0.000 0.000 0.209 391 L C 2.449 179.332 176.870 0.022 0.000 1.094 391 L CA 0.987 55.840 54.840 0.022 0.000 0.763 391 L CB -0.423 41.657 42.059 0.034 0.000 0.908 391 L HN 0.197 nan 8.230 nan 0.000 0.437 392 L N 0.319 121.552 121.223 0.017 0.000 2.131 392 L HA -0.217 4.123 4.340 0.000 0.000 0.210 392 L C 2.568 179.441 176.870 0.005 0.000 1.092 392 L CA 1.657 56.505 54.840 0.013 0.000 0.759 392 L CB -0.097 41.963 42.059 0.002 0.000 0.903 392 L HN 0.487 nan 8.230 nan 0.000 0.435 393 E N -1.024 119.175 120.200 -0.001 0.000 2.251 393 E HA -0.080 4.270 4.350 0.000 0.000 0.194 393 E C 1.528 178.129 176.600 0.001 0.000 0.964 393 E CA 1.131 57.529 56.400 -0.005 0.000 0.868 393 E CB 0.135 29.827 29.700 -0.013 0.000 0.828 393 E HN 0.403 nan 8.360 nan 0.000 0.481 394 V N -2.454 117.462 119.914 0.005 0.000 3.451 394 V HA 0.547 4.667 4.120 0.000 0.000 0.288 394 V C 0.864 176.966 176.094 0.013 0.000 1.502 394 V CA -0.152 62.153 62.300 0.007 0.000 1.026 394 V CB 0.341 32.167 31.823 0.005 0.000 0.840 394 V HN 0.262 nan 8.190 nan 0.000 0.437 395 A N 0.835 123.665 122.820 0.018 0.000 2.327 395 A HA 0.475 4.795 4.320 0.000 0.000 0.255 395 A C 0.382 177.981 177.584 0.025 0.000 1.099 395 A CA -0.258 51.794 52.037 0.024 0.000 0.801 395 A CB -0.018 19.002 19.000 0.032 0.000 1.062 395 A HN 0.611 nan 8.150 nan 0.000 0.496 396 E N -0.292 119.925 120.200 0.028 0.000 2.436 396 E HA -0.026 4.324 4.350 0.000 0.000 0.262 396 E C 0.005 176.625 176.600 0.033 0.000 1.063 396 E CA -0.169 56.248 56.400 0.028 0.000 0.944 396 E CB 0.376 30.093 29.700 0.028 0.000 0.950 396 E HN 0.589 nan 8.360 nan 0.000 0.444 397 D N 2.178 122.597 120.400 0.031 0.000 2.116 397 D HA -0.225 4.415 4.640 0.000 0.000 0.193 397 D C 1.863 178.193 176.300 0.050 0.000 0.998 397 D CA 1.693 55.715 54.000 0.037 0.000 0.836 397 D CB -0.075 40.743 40.800 0.031 0.000 0.951 397 D HN 0.499 nan 8.370 nan 0.000 0.449 398 K N 0.146 120.574 120.400 0.047 0.000 2.063 398 K HA -0.119 4.201 4.320 0.000 0.000 0.208 398 K C 1.972 178.617 176.600 0.073 0.000 1.048 398 K CA 1.589 57.909 56.287 0.055 0.000 0.928 398 K CB -0.716 31.807 32.500 0.038 0.000 0.713 398 K HN -0.048 nan 8.250 nan 0.000 0.442 399 T N 1.230 115.824 114.554 0.066 0.000 2.777 399 T HA -0.046 4.304 4.350 0.000 0.000 0.266 399 T C 1.683 176.435 174.700 0.088 0.000 1.040 399 T CA 1.348 63.494 62.100 0.077 0.000 1.141 399 T CB -0.063 68.842 68.868 0.061 0.000 0.868 399 T HN 0.313 nan 8.240 nan 0.000 0.444 400 K N 1.113 121.555 120.400 0.071 0.000 2.063 400 K HA -0.099 4.221 4.320 0.000 0.000 0.208 400 K C 2.384 179.039 176.600 0.091 0.000 1.048 400 K CA 1.193 57.520 56.287 0.066 0.000 0.928 400 K CB -0.106 32.419 32.500 0.043 0.000 0.713 400 K HN 0.309 nan 8.250 nan 0.000 0.442 401 K N 0.692 121.160 120.400 0.113 0.000 2.063 401 K HA -0.167 4.153 4.320 0.000 0.000 0.208 401 K C 2.008 178.788 176.600 0.300 0.000 1.048 401 K CA 1.280 57.668 56.287 0.168 0.000 0.928 401 K CB -0.006 32.604 32.500 0.184 0.000 0.713 401 K HN 0.122 nan 8.250 nan 0.000 0.442 402 E N 0.490 120.858 120.200 0.280 0.000 2.106 402 E HA -0.113 4.237 4.350 0.000 0.000 0.192 402 E C 2.047 178.815 176.600 0.280 0.000 0.984 402 E CA 1.019 57.621 56.400 0.337 0.000 0.806 402 E CB -0.201 29.652 29.700 0.255 0.000 0.750 402 E HN 0.316 nan 8.360 nan 0.000 0.458 403 A N 0.916 123.844 122.820 0.180 0.000 1.933 403 A HA -0.200 4.121 4.320 0.000 0.000 0.218 403 A C 2.548 180.201 177.584 0.115 0.000 1.175 403 A CA 1.475 53.587 52.037 0.125 0.000 0.628 403 A CB -1.060 17.989 19.000 0.081 0.000 0.814 403 A HN 0.417 nan 8.150 nan 0.000 0.444 404 C N -1.741 117.622 119.300 0.104 0.000 2.432 404 C HA -0.139 4.321 4.460 0.000 0.000 0.277 404 C C 2.366 177.373 174.990 0.029 0.000 1.249 404 C CA 1.149 60.179 59.018 0.021 0.000 1.725 404 C CB -1.651 26.058 27.740 -0.052 0.000 2.028 404 C HN 0.745 nan 8.230 nan 0.000 0.477 405 W N 1.089 122.419 121.300 0.049 0.000 2.335 405 W HA -0.108 4.552 4.660 0.000 0.000 0.311 405 W C 2.708 179.249 176.519 0.037 0.000 1.213 405 W CA 2.081 59.457 57.345 0.053 0.000 1.274 405 W CB -0.723 28.788 29.460 0.085 0.000 1.148 405 W HN 0.443 nan 8.180 nan 0.000 0.498 406 A N 0.369 123.357 122.820 0.281 0.000 1.859 406 A HA -0.245 4.075 4.320 0.000 0.000 0.217 406 A C 1.872 179.520 177.584 0.107 0.000 1.198 406 A CA 2.225 54.357 52.037 0.158 0.000 0.629 406 A CB -1.157 17.911 19.000 0.114 0.000 0.830 406 A HN 0.284 nan 8.150 nan 0.000 0.446 407 I N -0.764 119.853 120.570 0.078 0.000 2.226 407 I HA -0.216 3.954 4.170 0.000 0.000 0.245 407 I C 2.854 178.988 176.117 0.029 0.000 1.100 407 I CA 1.498 62.824 61.300 0.042 0.000 1.374 407 I CB -0.307 37.702 38.000 0.016 0.000 1.057 407 I HN 0.442 nan 8.210 nan 0.000 0.413 408 S N 1.168 116.876 115.700 0.013 0.000 2.348 408 S HA -0.185 4.285 4.470 0.000 0.000 0.221 408 S C 1.877 176.493 174.600 0.027 0.000 1.033 408 S CA 1.734 59.921 58.200 -0.022 0.000 1.010 408 S CB -0.275 62.851 63.200 -0.123 0.000 0.891 408 S HN 0.406 nan 8.310 nan 0.000 0.442 409 N N 1.848 120.603 118.700 0.091 0.000 2.149 409 N HA -0.029 4.711 4.740 0.000 0.000 0.188 409 N C 1.768 177.320 175.510 0.070 0.000 1.019 409 N CA 1.322 54.438 53.050 0.111 0.000 0.857 409 N CB -0.804 37.779 38.487 0.159 0.000 0.997 409 N HN 0.528 nan 8.380 nan 0.000 0.426 410 A N 0.604 123.461 122.820 0.062 0.000 1.969 410 A HA -0.093 4.227 4.320 0.000 0.000 0.218 410 A C 2.328 179.938 177.584 0.044 0.000 1.169 410 A CA 1.701 53.769 52.037 0.052 0.000 0.635 410 A CB -0.640 18.396 19.000 0.060 0.000 0.810 410 A HN 0.443 nan 8.150 nan 0.000 0.445 411 S N -0.457 115.263 115.700 0.034 0.000 2.447 411 S HA -0.081 4.389 4.470 0.000 0.000 0.233 411 S C 1.789 176.403 174.600 0.023 0.000 1.006 411 S CA 1.374 59.588 58.200 0.023 0.000 0.957 411 S CB -0.539 62.664 63.200 0.006 0.000 0.773 411 S HN 0.393 nan 8.310 nan 0.000 0.507 412 S N 1.390 117.107 115.700 0.028 0.000 2.474 412 S HA 0.097 4.567 4.470 0.000 0.000 0.235 412 S C 1.845 176.462 174.600 0.027 0.000 0.997 412 S CA 0.859 59.076 58.200 0.028 0.000 0.949 412 S CB -0.651 62.571 63.200 0.038 0.000 0.766 412 S HN 0.788 nan 8.310 nan 0.000 0.517 413 G N 0.855 109.672 108.800 0.029 0.000 2.712 413 G HA2 0.156 4.116 3.960 0.000 0.000 0.212 413 G HA3 0.156 4.116 3.960 0.000 0.000 0.212 413 G C 1.278 176.193 174.900 0.025 0.000 1.142 413 G CA 0.458 45.574 45.100 0.026 0.000 0.789 413 G HN 0.528 nan 8.290 nan 0.000 0.535 414 G N 0.947 109.763 108.800 0.027 0.000 2.448 414 G HA2 0.042 4.002 3.960 0.000 0.000 0.219 414 G HA3 0.042 4.002 3.960 0.000 0.000 0.219 414 G C 1.847 176.760 174.900 0.022 0.000 1.127 414 G CA 1.515 46.631 45.100 0.027 0.000 0.766 414 G HN 0.675 nan 8.290 nan 0.000 0.552 415 L N -0.497 120.738 121.223 0.020 0.000 2.046 415 L HA 0.242 4.582 4.340 0.000 0.000 0.208 415 L C 2.968 179.848 176.870 0.016 0.000 1.077 415 L CA 2.940 57.791 54.840 0.019 0.000 0.747 415 L CB -1.755 40.316 42.059 0.019 0.000 0.896 415 L HN 0.545 nan 8.230 nan 0.000 0.432 416 Q N -0.167 119.643 119.800 0.016 0.000 2.269 416 Q HA 0.423 4.763 4.340 0.000 0.000 0.201 416 Q C 1.749 177.756 176.000 0.011 0.000 0.946 416 Q CA 1.576 57.386 55.803 0.012 0.000 0.877 416 Q CB -0.458 28.287 28.738 0.011 0.000 0.963 416 Q HN 1.341 nan 8.270 nan 0.000 0.472 417 R N 1.055 121.563 120.500 0.014 0.000 2.797 417 R HA 0.443 4.783 4.340 0.000 0.000 0.274 417 R C -2.313 174.000 176.300 0.022 0.000 1.652 417 R CA -0.639 55.470 56.100 0.014 0.000 1.175 417 R CB 0.259 30.564 30.300 0.010 0.000 1.283 417 R HN 0.286 nan 8.270 nan 0.000 0.513 418 P HA -0.253 nan 4.420 nan 0.000 0.216 418 P C 0.194 177.518 177.300 0.040 0.000 1.154 418 P CA 1.472 64.589 63.100 0.028 0.000 0.865 418 P CB 0.334 32.048 31.700 0.023 0.000 0.789 419 D N -0.464 119.959 120.400 0.039 0.000 2.228 419 D HA -0.126 4.514 4.640 0.000 0.000 0.203 419 D C 1.991 178.344 176.300 0.088 0.000 0.988 419 D CA 0.704 54.737 54.000 0.055 0.000 0.864 419 D CB -0.725 40.096 40.800 0.035 0.000 0.928 419 D HN 0.248 nan 8.370 nan 0.000 0.469 420 I N 0.195 120.809 120.570 0.073 0.000 2.286 420 I HA -0.227 3.943 4.170 0.000 0.000 0.248 420 I C 1.908 178.099 176.117 0.124 0.000 1.115 420 I CA 0.493 61.857 61.300 0.106 0.000 1.392 420 I CB -0.076 37.964 38.000 0.067 0.000 1.065 420 I HN 0.067 nan 8.210 nan 0.000 0.418 421 I N 0.600 121.216 120.570 0.078 0.000 2.202 421 I HA -0.211 3.960 4.170 0.000 0.000 0.242 421 I C 2.644 178.798 176.117 0.061 0.000 1.091 421 I CA 1.461 62.794 61.300 0.056 0.000 1.368 421 I CB -1.199 36.822 38.000 0.035 0.000 1.058 421 I HN 0.252 nan 8.210 nan 0.000 0.410 422 R N -0.336 120.211 120.500 0.078 0.000 2.091 422 R HA -0.237 4.103 4.340 0.000 0.000 0.238 422 R C 2.351 178.703 176.300 0.086 0.000 1.136 422 R CA 1.578 57.727 56.100 0.081 0.000 0.959 422 R CB -0.666 29.685 30.300 0.086 0.000 0.856 422 R HN 0.332 nan 8.270 nan 0.000 0.437 423 Y N 1.773 122.078 120.300 0.007 0.000 2.114 423 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 423 Y C 2.057 177.953 175.900 -0.008 0.000 1.143 423 Y CA 1.405 59.505 58.100 -0.001 0.000 1.135 423 Y CB -0.506 37.953 38.460 -0.001 0.000 0.980 423 Y HN -0.079 nan 8.280 nan 0.000 0.499 424 L N -1.064 120.092 121.223 -0.112 0.000 2.079 424 L HA -0.260 4.080 4.340 0.000 0.000 0.210 424 L C 2.362 179.109 176.870 -0.205 0.000 1.081 424 L CA 1.333 56.056 54.840 -0.194 0.000 0.752 424 L CB -0.879 41.157 42.059 -0.038 0.000 0.896 424 L HN 0.145 nan 8.230 nan 0.000 0.433 425 V N -0.212 119.627 119.914 -0.124 0.000 2.358 425 V HA -0.247 3.873 4.120 0.000 0.000 0.246 425 V C 2.669 178.644 176.094 -0.198 0.000 1.047 425 V CA 1.939 64.166 62.300 -0.121 0.000 1.035 425 V CB -0.466 31.347 31.823 -0.016 0.000 0.658 425 V HN 0.642 nan 8.190 nan 0.000 0.452 426 S N -0.430 115.160 115.700 -0.182 0.000 2.419 426 S HA -0.216 4.254 4.470 0.000 0.000 0.233 426 S C 1.668 176.124 174.600 -0.240 0.000 1.016 426 S CA 0.944 59.034 58.200 -0.183 0.000 0.974 426 S CB -0.360 62.780 63.200 -0.100 0.000 0.786 426 S HN 0.560 nan 8.310 nan 0.000 0.492 427 Q N 0.981 120.574 119.800 -0.346 0.000 2.373 427 Q HA 0.263 4.603 4.340 0.000 0.000 0.206 427 Q C 1.237 177.107 176.000 -0.217 0.000 0.942 427 Q CA 0.565 56.176 55.803 -0.319 0.000 0.953 427 Q CB -0.339 28.108 28.738 -0.485 0.000 1.022 427 Q HN 0.820 nan 8.270 nan 0.000 0.502 428 G N 1.182 109.855 108.800 -0.211 0.000 2.198 428 G HA2 -0.347 3.613 3.960 0.000 0.000 0.257 428 G HA3 -0.347 3.613 3.960 0.000 0.000 0.257 428 G C 0.949 175.765 174.900 -0.140 0.000 1.042 428 G CA 0.399 45.393 45.100 -0.178 0.000 0.791 428 G HN 0.563 nan 8.290 nan 0.000 0.502 429 C N -1.583 117.635 119.300 -0.138 0.000 2.448 429 C HA 0.373 4.833 4.460 0.000 0.000 0.280 429 C C 2.543 177.488 174.990 -0.075 0.000 1.398 429 C CA 0.817 59.778 59.018 -0.095 0.000 1.774 429 C CB -1.013 26.676 27.740 -0.085 0.000 1.888 429 C HN 0.546 nan 8.230 nan 0.000 0.519 430 I N 1.664 122.183 120.570 -0.085 0.000 2.099 430 I HA -0.207 3.963 4.170 0.000 0.000 0.239 430 I C 3.111 179.203 176.117 -0.042 0.000 1.066 430 I CA 2.240 63.509 61.300 -0.052 0.000 1.324 430 I CB -0.679 37.297 38.000 -0.039 0.000 1.037 430 I HN 0.368 nan 8.210 nan 0.000 0.401 431 K N 1.047 121.412 120.400 -0.058 0.000 2.009 431 K HA -0.154 4.166 4.320 0.000 0.000 0.210 431 K C -0.441 176.138 176.600 -0.035 0.000 1.049 431 K CA 1.940 58.202 56.287 -0.042 0.000 0.929 431 K CB -1.634 30.835 32.500 -0.051 0.000 0.714 431 K HN 0.265 nan 8.250 nan 0.000 0.440 432 P HA -0.033 nan 4.420 nan 0.000 0.217 432 P C 1.501 178.784 177.300 -0.028 0.000 1.150 432 P CA 1.222 64.303 63.100 -0.030 0.000 0.832 432 P CB -0.068 31.613 31.700 -0.032 0.000 0.787 433 L N -1.384 119.819 121.223 -0.033 0.000 2.017 433 L HA -0.211 4.129 4.340 0.000 0.000 0.208 433 L C 2.505 179.356 176.870 -0.032 0.000 1.073 433 L CA 1.558 56.377 54.840 -0.035 0.000 0.745 433 L CB -1.113 40.923 42.059 -0.038 0.000 0.894 433 L HN 0.084 nan 8.230 nan 0.000 0.432 434 C N 0.026 119.310 119.300 -0.027 0.000 2.413 434 C HA -0.192 4.268 4.460 0.000 0.000 0.278 434 C C 2.408 177.384 174.990 -0.022 0.000 1.224 434 C CA 0.720 59.724 59.018 -0.025 0.000 1.732 434 C CB -0.922 26.805 27.740 -0.022 0.000 2.050 434 C HN 0.560 nan 8.230 nan 0.000 0.463 435 D N 0.581 120.969 120.400 -0.020 0.000 2.203 435 D HA -0.142 4.498 4.640 0.000 0.000 0.199 435 D C 1.675 177.967 176.300 -0.013 0.000 0.997 435 D CA 0.954 54.946 54.000 -0.015 0.000 0.863 435 D CB -0.539 40.253 40.800 -0.013 0.000 0.928 435 D HN 0.345 nan 8.370 nan 0.000 0.458 436 L N 0.350 121.563 121.223 -0.017 0.000 2.465 436 L HA 0.021 4.361 4.340 0.000 0.000 0.224 436 L C 1.804 178.663 176.870 -0.019 0.000 1.145 436 L CA 0.711 55.541 54.840 -0.016 0.000 0.834 436 L CB -0.240 41.806 42.059 -0.022 0.000 0.944 436 L HN 0.030 nan 8.230 nan 0.000 0.451 437 L N -0.859 120.352 121.223 -0.020 0.000 2.265 437 L HA -0.166 4.174 4.340 0.000 0.000 0.215 437 L C 1.660 178.524 176.870 -0.009 0.000 1.117 437 L CA 1.025 55.853 54.840 -0.019 0.000 0.782 437 L CB -0.371 41.677 42.059 -0.019 0.000 0.914 437 L HN 0.372 nan 8.230 nan 0.000 0.441 438 E N -0.139 120.058 120.200 -0.006 0.000 2.463 438 E HA 0.127 4.477 4.350 0.000 0.000 0.193 438 E C 0.585 177.187 176.600 0.002 0.000 1.041 438 E CA -0.279 56.121 56.400 0.000 0.000 0.879 438 E CB 0.519 30.220 29.700 0.002 0.000 0.997 438 E HN 0.399 nan 8.360 nan 0.000 0.478 439 I N 1.009 121.580 120.570 0.001 0.000 2.779 439 I HA 0.036 4.206 4.170 0.000 0.000 0.285 439 I C 0.270 176.392 176.117 0.009 0.000 1.134 439 I CA -0.046 61.258 61.300 0.007 0.000 1.398 439 I CB 0.779 38.783 38.000 0.008 0.000 1.404 439 I HN -0.033 nan 8.210 nan 0.000 0.587 440 A N 5.935 128.763 122.820 0.014 0.000 3.202 440 A HA 0.210 4.530 4.320 0.000 0.000 0.258 440 A C -0.378 177.218 177.584 0.021 0.000 1.572 440 A CA -0.041 52.005 52.037 0.015 0.000 1.241 440 A CB -0.639 18.370 19.000 0.014 0.000 1.127 440 A HN 0.683 nan 8.150 nan 0.000 0.648 441 D N 0.231 120.644 120.400 0.022 0.000 2.354 441 D HA 0.084 4.724 4.640 0.000 0.000 0.230 441 D C -0.134 176.181 176.300 0.026 0.000 1.361 441 D CA -0.417 53.602 54.000 0.032 0.000 0.992 441 D CB 0.665 41.493 40.800 0.046 0.000 1.409 441 D HN 0.166 nan 8.370 nan 0.000 0.573 442 N N 1.925 120.641 118.700 0.027 0.000 2.166 442 N HA -0.203 4.537 4.740 0.000 0.000 0.186 442 N C 2.105 177.628 175.510 0.021 0.000 1.019 442 N CA 1.735 54.798 53.050 0.022 0.000 0.856 442 N CB -0.152 38.351 38.487 0.026 0.000 0.993 442 N HN 0.613 nan 8.380 nan 0.000 0.426 443 R N 1.606 122.135 120.500 0.047 0.000 2.103 443 R HA -0.071 4.269 4.340 0.000 0.000 0.242 443 R C 2.138 178.434 176.300 -0.006 0.000 1.142 443 R CA 1.403 57.545 56.100 0.070 0.000 0.960 443 R CB -1.415 28.980 30.300 0.159 0.000 0.858 443 R HN 0.139 nan 8.270 nan 0.000 0.439 444 I N 0.979 121.546 120.570 -0.006 0.000 2.315 444 I HA -0.132 4.038 4.170 0.000 0.000 0.248 444 I C 2.497 178.539 176.117 -0.125 0.000 1.117 444 I CA 1.000 62.242 61.300 -0.097 0.000 1.404 444 I CB -0.934 37.053 38.000 -0.022 0.000 1.071 444 I HN 0.285 nan 8.210 nan 0.000 0.419 445 I N 1.224 121.756 120.570 -0.064 0.000 2.286 445 I HA -0.269 3.901 4.170 0.000 0.000 0.248 445 I C 2.910 178.983 176.117 -0.074 0.000 1.115 445 I CA 1.699 62.965 61.300 -0.056 0.000 1.392 445 I CB -0.742 37.245 38.000 -0.022 0.000 1.065 445 I HN 0.299 nan 8.210 nan 0.000 0.418 446 E N 0.678 120.830 120.200 -0.080 0.000 2.107 446 E HA -0.121 4.229 4.350 0.000 0.000 0.191 446 E C 2.249 178.755 176.600 -0.157 0.000 0.982 446 E CA 1.535 57.886 56.400 -0.083 0.000 0.809 446 E CB -1.011 28.659 29.700 -0.050 0.000 0.756 446 E HN 0.312 nan 8.360 nan 0.000 0.459 447 V N 1.523 121.267 119.914 -0.284 0.000 2.407 447 V HA -0.228 3.892 4.120 0.000 0.000 0.248 447 V C 2.770 178.690 176.094 -0.289 0.000 1.055 447 V CA 2.326 64.353 62.300 -0.455 0.000 1.049 447 V CB -0.647 30.621 31.823 -0.925 0.000 0.662 447 V HN 0.600 nan 8.190 nan 0.000 0.455 448 T N 0.302 114.729 114.554 -0.211 0.000 2.812 448 T HA -0.048 4.302 4.350 0.000 0.000 0.264 448 T C 1.895 176.541 174.700 -0.091 0.000 1.042 448 T CA 1.278 63.298 62.100 -0.133 0.000 1.140 448 T CB -0.234 68.576 68.868 -0.097 0.000 0.870 448 T HN 0.284 nan 8.240 nan 0.000 0.445 449 L N 0.971 122.148 121.223 -0.077 0.000 2.083 449 L HA -0.110 4.231 4.340 0.000 0.000 0.209 449 L C 2.479 179.325 176.870 -0.040 0.000 1.083 449 L CA 1.101 55.916 54.840 -0.042 0.000 0.752 449 L CB -0.572 41.471 42.059 -0.026 0.000 0.899 449 L HN 0.212 nan 8.230 nan 0.000 0.433 450 D N 0.295 120.657 120.400 -0.062 0.000 2.117 450 D HA -0.161 4.479 4.640 0.000 0.000 0.197 450 D C 2.215 178.487 176.300 -0.046 0.000 0.987 450 D CA 1.556 55.527 54.000 -0.049 0.000 0.829 450 D CB 0.090 40.849 40.800 -0.068 0.000 0.961 450 D HN 0.325 nan 8.370 nan 0.000 0.460 451 A N 0.942 123.723 122.820 -0.066 0.000 1.877 451 A HA -0.114 4.206 4.320 0.000 0.000 0.216 451 A C 2.434 179.992 177.584 -0.043 0.000 1.186 451 A CA 0.874 52.879 52.037 -0.052 0.000 0.620 451 A CB -0.790 18.172 19.000 -0.064 0.000 0.822 451 A HN 0.182 nan 8.150 nan 0.000 0.443 452 L N -0.798 120.400 121.223 -0.043 0.000 2.141 452 L HA -0.180 4.160 4.340 0.000 0.000 0.209 452 L C 2.630 179.460 176.870 -0.067 0.000 1.094 452 L CA 1.696 56.514 54.840 -0.037 0.000 0.763 452 L CB -0.432 41.618 42.059 -0.015 0.000 0.908 452 L HN 0.624 nan 8.230 nan 0.000 0.437 453 E N 0.381 120.549 120.200 -0.052 0.000 2.072 453 E HA -0.208 4.142 4.350 0.000 0.000 0.191 453 E C 1.849 178.402 176.600 -0.079 0.000 0.985 453 E CA 1.070 57.431 56.400 -0.065 0.000 0.801 453 E CB 0.141 29.848 29.700 0.010 0.000 0.750 453 E HN 0.462 nan 8.360 nan 0.000 0.452 454 N N 0.757 119.431 118.700 -0.044 0.000 2.166 454 N HA -0.137 4.603 4.740 0.000 0.000 0.186 454 N C 1.968 177.449 175.510 -0.048 0.000 1.019 454 N CA 1.038 54.071 53.050 -0.028 0.000 0.856 454 N CB -0.172 38.308 38.487 -0.011 0.000 0.993 454 N HN 0.326 nan 8.380 nan 0.000 0.426 455 I N 0.793 121.325 120.570 -0.064 0.000 2.315 455 I HA -0.180 3.990 4.170 0.000 0.000 0.248 455 I C 1.994 178.034 176.117 -0.129 0.000 1.117 455 I CA 0.689 61.953 61.300 -0.061 0.000 1.404 455 I CB -0.100 37.878 38.000 -0.036 0.000 1.071 455 I HN 0.042 nan 8.210 nan 0.000 0.419 456 L N 0.376 121.437 121.223 -0.270 0.000 2.072 456 L HA -0.166 4.174 4.340 0.000 0.000 0.205 456 L C 2.540 179.166 176.870 -0.407 0.000 1.079 456 L CA 1.323 55.810 54.840 -0.587 0.000 0.752 456 L CB -0.511 40.758 42.059 -1.316 0.000 0.906 456 L HN 0.129 nan 8.230 nan 0.000 0.436 457 K N -0.014 120.274 120.400 -0.187 0.000 2.032 457 K HA -0.240 4.080 4.320 0.000 0.000 0.209 457 K C 2.489 179.102 176.600 0.021 0.000 1.048 457 K CA 2.200 58.512 56.287 0.042 0.000 0.927 457 K CB -0.475 32.061 32.500 0.059 0.000 0.712 457 K HN 0.296 nan 8.250 nan 0.000 0.441 458 M N 0.889 120.482 119.600 -0.012 0.000 2.108 458 M HA -0.040 4.440 4.480 0.000 0.000 0.261 458 M C 2.524 178.822 176.300 -0.004 0.000 1.066 458 M CA 2.543 57.843 55.300 0.000 0.000 1.107 458 M CB -2.033 30.569 32.600 0.003 0.000 1.356 458 M HN 0.417 nan 8.290 nan 0.000 0.406 459 G N -0.562 108.220 108.800 -0.030 0.000 2.408 459 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 459 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 459 G C 1.511 176.403 174.900 -0.015 0.000 1.150 459 G CA 1.254 46.332 45.100 -0.036 0.000 0.776 459 G HN 0.678 nan 8.290 nan 0.000 0.542 460 E N 1.017 121.234 120.200 0.028 0.000 2.047 460 E HA 0.075 4.425 4.350 0.000 0.000 0.191 460 E C 2.712 179.332 176.600 0.033 0.000 0.987 460 E CA 1.333 57.777 56.400 0.074 0.000 0.799 460 E CB -0.571 29.259 29.700 0.218 0.000 0.752 460 E HN 0.252 nan 8.360 nan 0.000 0.449 461 A N 0.504 123.344 122.820 0.033 0.000 1.933 461 A HA -0.200 4.120 4.320 0.000 0.000 0.218 461 A C 2.235 179.823 177.584 0.007 0.000 1.175 461 A CA 2.508 54.556 52.037 0.018 0.000 0.628 461 A CB -1.531 17.481 19.000 0.020 0.000 0.814 461 A HN 0.491 nan 8.150 nan 0.000 0.444 462 D N 0.067 120.469 120.400 0.004 0.000 2.097 462 D HA -0.192 4.448 4.640 0.000 0.000 0.195 462 D C 2.174 178.468 176.300 -0.010 0.000 0.989 462 D CA 2.873 56.872 54.000 -0.002 0.000 0.827 462 D CB -0.759 40.038 40.800 -0.004 0.000 0.966 462 D HN 0.688 nan 8.370 nan 0.000 0.456 463 K N -0.607 119.783 120.400 -0.016 0.000 2.148 463 K HA 0.131 4.451 4.320 0.000 0.000 0.204 463 K C 2.482 179.071 176.600 -0.018 0.000 1.050 463 K CA 1.851 58.124 56.287 -0.023 0.000 0.942 463 K CB -1.127 31.354 32.500 -0.032 0.000 0.724 463 K HN 0.744 nan 8.250 nan 0.000 0.446 464 E N 1.313 121.505 120.200 -0.013 0.000 2.051 464 E HA 0.071 4.421 4.350 0.000 0.000 0.192 464 E C 2.426 179.020 176.600 -0.010 0.000 0.991 464 E CA 1.642 58.035 56.400 -0.013 0.000 0.799 464 E CB -1.198 28.497 29.700 -0.009 0.000 0.748 464 E HN 0.818 nan 8.360 nan 0.000 0.449 465 A N 1.004 123.820 122.820 -0.006 0.000 1.892 465 A HA -0.131 4.189 4.320 0.000 0.000 0.218 465 A C 2.053 179.633 177.584 -0.007 0.000 1.188 465 A CA 1.611 53.646 52.037 -0.005 0.000 0.631 465 A CB -0.263 18.736 19.000 -0.001 0.000 0.822 465 A HN 0.508 nan 8.150 nan 0.000 0.447 466 R N -2.105 118.390 120.500 -0.009 0.000 2.650 466 R HA 0.424 4.764 4.340 0.000 0.000 0.232 466 R C 0.854 177.146 176.300 -0.013 0.000 1.247 466 R CA 0.168 56.262 56.100 -0.011 0.000 1.061 466 R CB -0.069 30.224 30.300 -0.013 0.000 1.279 466 R HN 0.268 nan 8.270 nan 0.000 0.549 467 G N 0.723 109.515 108.800 -0.014 0.000 4.757 467 G HA2 0.315 4.275 3.960 0.000 0.000 0.303 467 G HA3 0.315 4.275 3.960 0.000 0.000 0.303 467 G C -0.168 174.720 174.900 -0.019 0.000 1.318 467 G CA -0.308 44.782 45.100 -0.016 0.000 1.020 467 G HN 0.081 nan 8.290 nan 0.000 0.589 468 L N -1.148 120.061 121.223 -0.023 0.000 2.365 468 L HA 0.576 4.916 4.340 0.000 0.000 0.267 468 L C 1.297 178.148 176.870 -0.032 0.000 1.033 468 L CA -0.389 54.434 54.840 -0.029 0.000 0.802 468 L CB 1.342 43.381 42.059 -0.033 0.000 1.267 468 L HN 0.208 nan 8.230 nan 0.000 0.457 469 N N 1.091 119.769 118.700 -0.037 0.000 2.171 469 N HA 0.406 5.147 4.740 0.000 0.000 0.212 469 N C 0.089 175.569 175.510 -0.049 0.000 1.184 469 N CA -0.091 52.935 53.050 -0.040 0.000 0.888 469 N CB 0.413 38.879 38.487 -0.035 0.000 1.038 469 N HN 0.472 nan 8.380 nan 0.000 0.517 470 I N 0.873 121.410 120.570 -0.056 0.000 2.465 470 I HA 0.286 4.456 4.170 0.000 0.000 0.291 470 I C -1.066 175.000 176.117 -0.085 0.000 1.014 470 I CA -1.058 60.200 61.300 -0.071 0.000 1.093 470 I CB 2.098 40.053 38.000 -0.075 0.000 1.267 470 I HN 0.152 nan 8.210 nan 0.000 0.431 471 N N 4.783 123.426 118.700 -0.095 0.000 2.402 471 N HA 0.084 4.824 4.740 0.000 0.000 0.252 471 N C 0.890 176.302 175.510 -0.164 0.000 1.118 471 N CA 0.584 53.572 53.050 -0.103 0.000 0.945 471 N CB 1.408 39.845 38.487 -0.084 0.000 1.147 471 N HN 0.807 nan 8.380 nan 0.000 0.495 472 E N 3.847 123.929 120.200 -0.198 0.000 2.070 472 E HA -0.257 4.093 4.350 0.000 0.000 0.197 472 E C 1.272 177.582 176.600 -0.483 0.000 1.004 472 E CA 1.665 57.840 56.400 -0.377 0.000 0.805 472 E CB -0.661 28.846 29.700 -0.322 0.000 0.744 472 E HN 0.713 nan 8.360 nan 0.000 0.451 473 N N 0.163 118.743 118.700 -0.200 0.000 2.381 473 N HA 0.038 4.778 4.740 0.000 0.000 0.182 473 N C 2.021 177.532 175.510 0.003 0.000 1.025 473 N CA 1.318 54.364 53.050 -0.007 0.000 0.888 473 N CB -0.214 38.294 38.487 0.035 0.000 0.965 473 N HN 0.540 nan 8.380 nan 0.000 0.438 474 A N 0.912 123.678 122.820 -0.091 0.000 1.929 474 A HA -0.099 4.221 4.320 0.000 0.000 0.216 474 A C 2.162 179.813 177.584 0.113 0.000 1.176 474 A CA 2.104 54.114 52.037 -0.045 0.000 0.628 474 A CB -1.049 17.787 19.000 -0.275 0.000 0.816 474 A HN 0.439 nan 8.150 nan 0.000 0.444 475 D N -1.184 119.188 120.400 -0.047 0.000 2.117 475 D HA -0.100 4.540 4.640 0.000 0.000 0.198 475 D C 1.856 178.198 176.300 0.070 0.000 0.982 475 D CA 1.249 55.225 54.000 -0.040 0.000 0.828 475 D CB -0.764 39.914 40.800 -0.203 0.000 0.967 475 D HN 0.572 nan 8.370 nan 0.000 0.464 476 F N 0.134 120.110 119.950 0.043 0.000 2.134 476 F HA -0.000 4.527 4.527 0.000 0.000 0.299 476 F C 2.580 178.401 175.800 0.035 0.000 1.097 476 F CA 0.619 58.634 58.000 0.025 0.000 1.264 476 F CB -0.045 38.958 39.000 0.006 0.000 1.001 476 F HN 0.105 nan 8.300 nan 0.000 0.479 477 I N 0.014 120.744 120.570 0.267 0.000 2.252 477 I HA -0.266 3.904 4.170 0.000 0.000 0.245 477 I C 2.439 178.617 176.117 0.102 0.000 1.102 477 I CA 1.419 62.820 61.300 0.168 0.000 1.385 477 I CB -0.492 37.632 38.000 0.207 0.000 1.064 477 I HN 0.195 nan 8.210 nan 0.000 0.414 478 E N 1.441 121.730 120.200 0.149 0.000 2.051 478 E HA -0.240 4.110 4.350 0.000 0.000 0.192 478 E C 2.104 178.736 176.600 0.053 0.000 0.991 478 E CA 1.167 57.608 56.400 0.069 0.000 0.799 478 E CB 0.165 29.945 29.700 0.133 0.000 0.748 478 E HN 0.196 nan 8.360 nan 0.000 0.449 479 K N 0.112 120.568 120.400 0.092 0.000 2.152 479 K HA -0.101 4.219 4.320 0.000 0.000 0.206 479 K C 1.801 178.433 176.600 0.054 0.000 1.048 479 K CA 1.097 57.432 56.287 0.080 0.000 0.933 479 K CB -0.254 32.322 32.500 0.127 0.000 0.721 479 K HN 0.217 nan 8.250 nan 0.000 0.447 480 A N 0.018 122.872 122.820 0.056 0.000 2.238 480 A HA 0.255 4.575 4.320 0.000 0.000 0.208 480 A C 1.356 178.941 177.584 0.003 0.000 1.177 480 A CA 0.986 53.037 52.037 0.023 0.000 0.804 480 A CB -0.283 18.729 19.000 0.019 0.000 0.823 480 A HN 0.374 nan 8.150 nan 0.000 0.482 481 G N -2.083 106.715 108.800 -0.003 0.000 2.159 481 G HA2 -0.213 3.747 3.960 0.000 0.000 0.256 481 G HA3 -0.213 3.747 3.960 0.000 0.000 0.256 481 G C 1.202 176.078 174.900 -0.041 0.000 0.977 481 G CA 0.680 45.767 45.100 -0.022 0.000 0.652 481 G HN 1.209 nan 8.290 nan 0.000 0.531 482 G N 0.033 108.805 108.800 -0.047 0.000 2.394 482 G HA2 0.046 4.007 3.960 0.000 0.000 0.215 482 G HA3 0.046 4.007 3.960 0.000 0.000 0.215 482 G C 1.668 176.470 174.900 -0.165 0.000 1.165 482 G CA 1.648 46.705 45.100 -0.073 0.000 0.784 482 G HN 0.651 nan 8.290 nan 0.000 0.535 483 M N 0.467 119.899 119.600 -0.279 0.000 2.088 483 M HA -0.157 4.323 4.480 0.000 0.000 0.256 483 M C 2.463 178.604 176.300 -0.266 0.000 1.071 483 M CA 2.512 57.480 55.300 -0.554 0.000 1.097 483 M CB -0.267 31.981 32.600 -0.587 0.000 1.315 483 M HN 0.430 nan 8.290 nan 0.000 0.406 484 E N 0.224 120.338 120.200 -0.142 0.000 2.058 484 E HA -0.263 4.087 4.350 0.000 0.000 0.194 484 E C 1.814 178.434 176.600 0.033 0.000 0.997 484 E CA 1.907 58.285 56.400 -0.037 0.000 0.801 484 E CB -0.071 29.607 29.700 -0.038 0.000 0.746 484 E HN 0.569 nan 8.360 nan 0.000 0.450 485 K N 0.047 120.440 120.400 -0.012 0.000 2.147 485 K HA -0.103 4.217 4.320 0.000 0.000 0.205 485 K C 2.197 178.799 176.600 0.003 0.000 1.049 485 K CA 1.295 57.583 56.287 0.003 0.000 0.936 485 K CB -0.082 32.409 32.500 -0.015 0.000 0.722 485 K HN 0.301 nan 8.250 nan 0.000 0.446 486 I N 0.047 120.599 120.570 -0.030 0.000 2.353 486 I HA -0.223 3.947 4.170 0.000 0.000 0.248 486 I C 2.151 178.283 176.117 0.024 0.000 1.119 486 I CA 0.800 62.084 61.300 -0.028 0.000 1.417 486 I CB -0.183 37.762 38.000 -0.092 0.000 1.078 486 I HN 0.039 nan 8.210 nan 0.000 0.421 487 F N 2.557 122.452 119.950 -0.092 0.000 2.126 487 F HA -0.247 4.280 4.527 0.000 0.000 0.299 487 F C 2.322 178.128 175.800 0.010 0.000 1.096 487 F CA 1.705 59.684 58.000 -0.035 0.000 1.255 487 F CB -0.412 38.558 39.000 -0.050 0.000 0.997 487 F HN 0.114 nan 8.300 nan 0.000 0.479 488 N N -0.468 118.275 118.700 0.071 0.000 2.381 488 N HA -0.160 4.580 4.740 0.000 0.000 0.182 488 N C 1.810 177.300 175.510 -0.034 0.000 1.025 488 N CA 1.383 54.437 53.050 0.007 0.000 0.888 488 N CB -0.912 37.611 38.487 0.061 0.000 0.965 488 N HN 0.331 nan 8.380 nan 0.000 0.438 489 C N 0.990 120.276 119.300 -0.024 0.000 2.472 489 C HA 0.039 4.499 4.460 0.000 0.000 0.278 489 C C 2.439 177.438 174.990 0.016 0.000 1.447 489 C CA -0.019 58.997 59.018 -0.003 0.000 1.773 489 C CB -0.987 26.754 27.740 0.001 0.000 1.793 489 C HN 0.468 nan 8.230 nan 0.000 0.544 490 Q N -0.186 119.591 119.800 -0.038 0.000 2.297 490 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 490 Q C 1.954 178.032 176.000 0.129 0.000 0.962 490 Q CA 1.056 56.892 55.803 0.055 0.000 0.879 490 Q CB -0.033 28.631 28.738 -0.125 0.000 0.947 490 Q HN 0.653 nan 8.270 nan 0.000 0.462 491 Q N 0.401 120.196 119.800 -0.008 0.000 2.222 491 Q HA 0.095 4.435 4.340 0.000 0.000 0.206 491 Q C -0.194 175.797 176.000 -0.015 0.000 0.877 491 Q CA -0.254 55.532 55.803 -0.028 0.000 0.958 491 Q CB -0.268 28.440 28.738 -0.049 0.000 1.075 491 Q HN 0.318 nan 8.270 nan 0.000 0.483 492 N N 0.946 119.661 118.700 0.025 0.000 2.488 492 N HA 0.050 4.790 4.740 0.000 0.000 0.274 492 N C 1.262 176.775 175.510 0.005 0.000 1.111 492 N CA 0.952 54.014 53.050 0.021 0.000 0.974 492 N CB 1.393 39.904 38.487 0.041 0.000 1.089 492 N HN 0.408 nan 8.380 nan 0.000 0.465 493 E N 3.026 123.216 120.200 -0.016 0.000 2.160 493 E HA -0.221 4.129 4.350 0.000 0.000 0.195 493 E C 0.799 177.390 176.600 -0.016 0.000 0.991 493 E CA 0.993 57.372 56.400 -0.035 0.000 0.810 493 E CB -0.498 29.186 29.700 -0.027 0.000 0.742 493 E HN 0.758 nan 8.360 nan 0.000 0.466 494 N N 0.963 119.673 118.700 0.016 0.000 2.438 494 N HA 0.095 4.835 4.740 0.000 0.000 0.267 494 N C 0.886 176.441 175.510 0.075 0.000 1.222 494 N CA 1.076 54.147 53.050 0.035 0.000 0.930 494 N CB 0.747 39.257 38.487 0.037 0.000 1.083 494 N HN 0.407 nan 8.380 nan 0.000 0.476 495 D N 3.997 124.439 120.400 0.070 0.000 2.103 495 D HA -0.275 4.365 4.640 0.000 0.000 0.190 495 D C 1.971 178.362 176.300 0.153 0.000 0.997 495 D CA 3.133 57.210 54.000 0.128 0.000 0.833 495 D CB -0.769 40.079 40.800 0.081 0.000 0.961 495 D HN 0.767 nan 8.370 nan 0.000 0.447 496 K N 0.316 120.770 120.400 0.089 0.000 2.034 496 K HA -0.089 4.231 4.320 0.000 0.000 0.214 496 K C 2.226 178.860 176.600 0.057 0.000 1.051 496 K CA 1.697 58.022 56.287 0.064 0.000 0.931 496 K CB -1.041 31.487 32.500 0.047 0.000 0.715 496 K HN 0.522 nan 8.250 nan 0.000 0.446 497 I N -0.122 120.487 120.570 0.064 0.000 2.127 497 I HA -0.226 3.944 4.170 0.000 0.000 0.241 497 I C 2.513 178.669 176.117 0.065 0.000 1.075 497 I CA 1.728 63.059 61.300 0.052 0.000 1.334 497 I CB -1.278 36.754 38.000 0.052 0.000 1.040 497 I HN 0.572 nan 8.210 nan 0.000 0.405 498 Y N 2.740 123.040 120.300 0.000 0.000 2.030 498 Y HA -0.333 4.217 4.550 0.000 0.000 0.274 498 Y C 2.680 178.605 175.900 0.041 0.000 1.153 498 Y CA 2.509 60.608 58.100 -0.002 0.000 1.115 498 Y CB -0.745 37.696 38.460 -0.033 0.000 0.969 498 Y HN 0.453 nan 8.280 nan 0.000 0.488 499 E N -0.023 119.995 120.200 -0.304 0.000 2.160 499 E HA -0.186 4.165 4.350 0.000 0.000 0.195 499 E C 2.208 178.728 176.600 -0.134 0.000 0.991 499 E CA 1.774 57.980 56.400 -0.322 0.000 0.810 499 E CB -0.497 29.163 29.700 -0.068 0.000 0.742 499 E HN 0.519 nan 8.360 nan 0.000 0.466 500 K N 1.461 121.822 120.400 -0.064 0.000 2.031 500 K HA 0.194 4.514 4.320 0.000 0.000 0.205 500 K C 2.301 178.896 176.600 -0.008 0.000 1.049 500 K CA 1.237 57.516 56.287 -0.015 0.000 0.939 500 K CB -1.022 31.478 32.500 -0.000 0.000 0.717 500 K HN 0.308 nan 8.250 nan 0.000 0.438 501 A N -0.138 122.666 122.820 -0.028 0.000 1.877 501 A HA -0.081 4.239 4.320 0.000 0.000 0.216 501 A C 2.285 179.868 177.584 -0.003 0.000 1.186 501 A CA 1.926 53.958 52.037 -0.007 0.000 0.620 501 A CB -0.771 18.221 19.000 -0.015 0.000 0.822 501 A HN 0.697 nan 8.150 nan 0.000 0.443 502 Y N 0.771 120.930 120.300 -0.235 0.000 2.053 502 Y HA -0.244 4.306 4.550 0.000 0.000 0.277 502 Y C 2.286 178.135 175.900 -0.086 0.000 1.159 502 Y CA 2.376 60.340 58.100 -0.227 0.000 1.125 502 Y CB -0.152 38.016 38.460 -0.487 0.000 0.969 502 Y HN 0.124 nan 8.280 nan 0.000 0.492 503 K N 0.447 120.796 120.400 -0.086 0.000 2.103 503 K HA -0.176 4.144 4.320 0.000 0.000 0.207 503 K C 2.236 178.813 176.600 -0.039 0.000 1.048 503 K CA 1.778 58.001 56.287 -0.107 0.000 0.930 503 K CB -0.759 31.739 32.500 -0.003 0.000 0.716 503 K HN 0.485 nan 8.250 nan 0.000 0.444 504 I N 0.857 121.478 120.570 0.085 0.000 2.179 504 I HA -0.278 3.892 4.170 0.000 0.000 0.242 504 I C 2.127 178.470 176.117 0.377 0.000 1.088 504 I CA 0.835 62.309 61.300 0.290 0.000 1.357 504 I CB -0.246 37.915 38.000 0.269 0.000 1.051 504 I HN 0.029 nan 8.210 nan 0.000 0.409 505 I N 0.598 121.311 120.570 0.239 0.000 2.179 505 I HA -0.229 3.941 4.170 0.000 0.000 0.242 505 I C 2.549 178.743 176.117 0.128 0.000 1.088 505 I CA 1.592 63.075 61.300 0.306 0.000 1.357 505 I CB -1.308 36.811 38.000 0.198 0.000 1.051 505 I HN 0.288 nan 8.210 nan 0.000 0.409 506 E N 0.319 120.440 120.200 -0.131 0.000 2.204 506 E HA -0.113 4.237 4.350 0.000 0.000 0.194 506 E C 2.139 178.614 176.600 -0.208 0.000 0.989 506 E CA 1.246 57.518 56.400 -0.212 0.000 0.824 506 E CB -0.298 29.149 29.700 -0.422 0.000 0.756 506 E HN 0.471 nan 8.360 nan 0.000 0.477 507 T N -0.306 114.089 114.554 -0.265 0.000 2.937 507 T HA -0.029 4.321 4.350 0.000 0.000 0.260 507 T C 1.072 175.312 174.700 -0.767 0.000 1.051 507 T CA 0.859 62.628 62.100 -0.551 0.000 1.141 507 T CB -0.086 68.324 68.868 -0.762 0.000 0.879 507 T HN 0.212 nan 8.240 nan 0.000 0.459 508 Y N -1.019 119.126 120.300 -0.258 0.000 2.432 508 Y HA 0.508 5.058 4.550 0.000 0.000 0.252 508 Y C 0.179 175.579 175.900 -0.833 0.000 1.097 508 Y CA -1.158 56.595 58.100 -0.579 0.000 1.250 508 Y CB 0.485 38.457 38.460 -0.813 0.000 1.245 508 Y HN 0.082 nan 8.280 nan 0.000 0.522 509 F N 0.000 120.000 119.950 0.083 0.000 2.286 509 F HA 0.000 4.527 4.527 0.000 0.000 0.279 509 F CA 0.000 58.028 58.000 0.046 0.000 1.383 509 F CB 0.000 39.040 39.000 0.067 0.000 1.145 509 F HN 0.000 nan 8.300 nan 0.000 0.574