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 3gf3_1_A DATA FIRST_RESID 3 DATA SEQUENCE MYSMPGYFQN MPTIGKELVN PNPENEQEIK AVESDIHESI KKALDAGITS DATA SEQUENCE EEKLNERGQL SAMQRINALI DPGTWCPLNS LFNPENNKFG TTNIVNGLGR DATA SEQUENCE VDGKWVYIVA SDNKKMAGAW VPGQAENLIR CSDAAKMMHL PLIYLLNCSG DATA SEQUENCE VEFPNQDKVY PNRRGGGTPF FRNSELNQLG IPVIVGIYGT NPAGGGYHSI DATA SEQUENCE SPTILIAHQD ANMAVGGAGX XXXXXXXXXX XXXXAEQIIA AQIENSKLKV DATA SEQUENCE PAPGSVPIHY DETGFFREVY QNDLGVIDGI KKYISYLPAY NLEFFRVDTP DATA SEQUENCE KAPQLPAEDL YSIIPMNQKR PYDIYEVIAR LFDNSEFSEY KKGYGPEMVT DATA SEQUENCE GLAKVNGLLV GVIANVQGLL MNYPEYKQNS VGIGGKLYRQ GLIKMNEFVT DATA SEQUENCE LCARDRIPLI WLQDTTGIDV GDEAEKAELL GLGQSLIYSI ENSKLPSLEI DATA SEQUENCE TIRKASAAAH YVLGGPQGNN TNVFSIGTGA CEYYVMPGET AANAMYSRKL DATA SEQUENCE VKAXXXXXXX QPIIGKMNDM IQMYTDKSRP KYCTEKGMVD EIVDMTEVRP DATA SEQUENCE YIQAFTEAAY QNPQSICPMH QMLTPRSTRE FETFG 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 175.875 176.300 -0.708 0.000 1.140 3 M CA 0.000 55.041 55.300 -0.432 0.000 0.988 3 M CB 0.000 32.341 32.600 -0.432 0.000 1.302 4 Y N -0.978 119.329 120.300 0.012 0.000 2.545 4 Y HA 0.596 5.145 4.550 -0.002 0.000 0.348 4 Y C 0.565 176.499 175.900 0.057 0.000 1.002 4 Y CA -1.035 57.076 58.100 0.018 0.000 1.039 4 Y CB 1.764 40.246 38.460 0.037 0.000 1.271 4 Y HN 0.016 nan 8.280 nan 0.000 0.467 5 S N 2.429 118.272 115.700 0.239 0.000 2.564 5 S HA 0.200 4.670 4.470 -0.001 0.000 0.278 5 S C 0.022 174.833 174.600 0.353 0.000 1.333 5 S CA -0.346 57.996 58.200 0.238 0.000 1.048 5 S CB -0.090 63.257 63.200 0.245 0.000 0.900 5 S HN 0.738 nan 8.310 nan 0.000 0.505 6 M N 1.251 121.009 119.600 0.262 0.000 2.350 6 M HA -0.138 4.342 4.480 -0.001 0.000 0.190 6 M C -2.134 174.289 176.300 0.206 0.000 0.710 6 M CA -0.180 55.259 55.300 0.231 0.000 0.495 6 M CB -1.453 31.280 32.600 0.221 0.000 1.136 6 M HN 0.415 nan 8.290 nan 0.000 0.901 7 P HA -0.125 nan 4.420 nan 0.000 0.219 7 P C 1.580 178.908 177.300 0.048 0.000 1.146 7 P CA 1.927 65.112 63.100 0.142 0.000 0.808 7 P CB -0.005 31.765 31.700 0.117 0.000 0.779 8 G N -1.975 106.817 108.800 -0.013 0.000 2.462 8 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.220 8 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.220 8 G C 1.169 175.910 174.900 -0.266 0.000 1.121 8 G CA 0.653 45.671 45.100 -0.137 0.000 0.758 8 G HN 0.281 nan 8.290 nan 0.000 0.559 9 Y N -1.608 118.522 120.300 -0.283 0.000 2.441 9 Y HA 0.327 4.877 4.550 0.001 0.000 0.288 9 Y C 1.958 177.602 175.900 -0.428 0.000 1.118 9 Y CA 0.403 58.208 58.100 -0.492 0.000 1.215 9 Y CB 0.314 38.197 38.460 -0.961 0.000 1.118 9 Y HN 0.190 nan 8.280 nan 0.000 0.547 10 F N -0.977 119.068 119.950 0.159 0.000 2.720 10 F HA 0.211 4.737 4.527 -0.000 0.000 0.301 10 F C 0.506 176.322 175.800 0.026 0.000 1.103 10 F CA -0.164 57.880 58.000 0.074 0.000 1.291 10 F CB 0.433 39.462 39.000 0.048 0.000 1.086 10 F HN -0.187 nan 8.300 nan 0.000 0.592 11 Q N 0.006 119.906 119.800 0.167 0.000 2.297 11 Q HA 0.305 4.644 4.340 -0.001 0.000 0.268 11 Q C -0.366 175.670 176.000 0.060 0.000 1.045 11 Q CA -0.810 55.051 55.803 0.097 0.000 0.861 11 Q CB 1.464 30.255 28.738 0.088 0.000 1.344 11 Q HN 0.168 nan 8.270 nan 0.000 0.452 12 N N 0.360 119.091 118.700 0.052 0.000 2.727 12 N HA -0.213 4.527 4.740 -0.001 0.000 0.249 12 N C -0.836 174.695 175.510 0.035 0.000 1.048 12 N CA 0.236 53.309 53.050 0.038 0.000 0.714 12 N CB -1.148 37.353 38.487 0.024 0.000 0.959 12 N HN 0.471 nan 8.380 nan 0.000 0.544 13 M N 0.198 119.830 119.600 0.053 0.000 2.240 13 M HA 0.149 4.629 4.480 -0.001 0.000 0.317 13 M C -1.659 174.674 176.300 0.056 0.000 1.087 13 M CA -0.990 54.341 55.300 0.052 0.000 1.176 13 M CB 0.002 32.645 32.600 0.071 0.000 1.439 13 M HN -0.130 nan 8.290 nan 0.000 0.452 14 P HA -0.018 nan 4.420 nan 0.000 0.265 14 P C -0.770 176.586 177.300 0.093 0.000 1.187 14 P CA 0.171 63.307 63.100 0.061 0.000 0.766 14 P CB 0.159 31.897 31.700 0.063 0.000 0.820 15 T N 0.876 115.473 114.554 0.072 0.000 2.902 15 T HA 0.769 5.119 4.350 -0.001 0.000 0.283 15 T C 0.267 175.008 174.700 0.067 0.000 1.009 15 T CA -0.763 61.387 62.100 0.084 0.000 1.051 15 T CB 0.638 69.544 68.868 0.064 0.000 0.999 15 T HN 0.364 nan 8.240 nan 0.000 0.474 16 I N -1.951 118.670 120.570 0.085 0.000 3.145 16 I HA 0.887 5.056 4.170 -0.001 0.000 0.313 16 I C 0.314 176.466 176.117 0.057 0.000 1.122 16 I CA -1.131 60.200 61.300 0.051 0.000 0.987 16 I CB 1.593 39.646 38.000 0.089 0.000 1.236 16 I HN 1.189 nan 8.210 nan 0.000 0.453 17 G N 1.964 110.790 108.800 0.044 0.000 2.758 17 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.686 17 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.686 17 G C -1.256 173.665 174.900 0.035 0.000 1.389 17 G CA -0.687 44.446 45.100 0.055 0.000 0.845 17 G HN 0.940 nan 8.290 nan 0.000 0.572 18 K N -0.104 120.318 120.400 0.037 0.000 2.477 18 K HA 0.450 4.770 4.320 -0.001 0.000 0.255 18 K C 0.059 176.678 176.600 0.031 0.000 0.952 18 K CA -0.878 55.426 56.287 0.028 0.000 0.826 18 K CB 2.489 35.002 32.500 0.023 0.000 1.331 18 K HN 0.738 nan 8.250 nan 0.000 0.437 19 E N 1.830 122.046 120.200 0.028 0.000 2.481 19 E HA -0.105 4.245 4.350 -0.001 0.000 0.263 19 E C -0.798 175.819 176.600 0.029 0.000 0.992 19 E CA -0.208 56.208 56.400 0.028 0.000 0.938 19 E CB 0.484 30.199 29.700 0.024 0.000 0.933 19 E HN 0.295 nan 8.360 nan 0.000 0.453 20 L N 6.212 127.453 121.223 0.030 0.000 2.369 20 L HA 0.004 4.344 4.340 -0.001 0.000 0.279 20 L C 0.684 177.570 176.870 0.028 0.000 1.108 20 L CA 0.255 55.114 54.840 0.032 0.000 0.852 20 L CB 1.161 43.240 42.059 0.035 0.000 1.169 20 L HN 0.525 nan 8.230 nan 0.000 0.452 21 V N 0.692 120.622 119.914 0.027 0.000 2.949 21 V HA 0.325 4.445 4.120 -0.001 0.000 0.245 21 V C 0.968 177.076 176.094 0.023 0.000 1.086 21 V CA 0.849 63.162 62.300 0.023 0.000 1.097 21 V CB -1.433 30.402 31.823 0.020 0.000 0.762 21 V HN 0.795 nan 8.190 nan 0.000 0.470 22 N N 1.831 120.546 118.700 0.026 0.000 2.776 22 N HA 0.676 5.415 4.740 -0.001 0.000 0.245 22 N C -2.730 172.797 175.510 0.028 0.000 1.121 22 N CA -1.260 51.805 53.050 0.025 0.000 0.852 22 N CB 0.283 nan 38.487 nan 0.000 1.142 22 N HN 0.465 nan 8.380 nan 0.000 0.514 23 P HA 0.245 nan 4.420 nan 0.000 0.271 23 P C -0.756 176.561 177.300 0.028 0.000 1.218 23 P CA -0.286 62.833 63.100 0.031 0.000 0.780 23 P CB 0.755 32.472 31.700 0.028 0.000 0.901 24 N N 2.780 121.499 118.700 0.032 0.000 2.776 24 N HA 0.225 4.964 4.740 -0.001 0.000 0.245 24 N C -2.069 173.456 175.510 0.025 0.000 1.121 24 N CA -2.288 50.779 53.050 0.028 0.000 0.852 24 N CB 0.761 39.267 38.487 0.031 0.000 1.142 24 N HN 0.052 nan 8.380 nan 0.000 0.514 25 P HA -0.119 nan 4.420 nan 0.000 0.216 25 P C 1.029 178.330 177.300 0.001 0.000 1.150 25 P CA 1.008 64.109 63.100 0.003 0.000 0.837 25 P CB 0.590 32.290 31.700 -0.001 0.000 0.786 26 E N -0.149 120.056 120.200 0.008 0.000 2.072 26 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 26 E C 2.010 178.619 176.600 0.015 0.000 0.985 26 E CA 1.281 57.686 56.400 0.008 0.000 0.801 26 E CB -1.145 28.561 29.700 0.011 0.000 0.750 26 E HN 0.104 nan 8.360 nan 0.000 0.452 27 N N 0.166 118.881 118.700 0.024 0.000 2.084 27 N HA -0.244 4.495 4.740 -0.001 0.000 0.190 27 N C 1.889 177.431 175.510 0.054 0.000 1.030 27 N CA 1.537 54.608 53.050 0.035 0.000 0.849 27 N CB -0.144 38.365 38.487 0.036 0.000 1.012 27 N HN 0.329 nan 8.380 nan 0.000 0.423 28 E N 0.792 121.023 120.200 0.052 0.000 2.085 28 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 28 E C 2.106 178.684 176.600 -0.037 0.000 0.994 28 E CA 1.369 57.789 56.400 0.034 0.000 0.801 28 E CB -0.163 29.521 29.700 -0.026 0.000 0.743 28 E HN 0.418 nan 8.360 nan 0.000 0.453 29 Q N 0.208 119.989 119.800 -0.031 0.000 2.084 29 Q HA -0.239 4.101 4.340 -0.001 0.000 0.202 29 Q C 1.905 177.902 176.000 -0.006 0.000 0.978 29 Q CA 1.850 57.633 55.803 -0.033 0.000 0.844 29 Q CB 0.015 28.741 28.738 -0.021 0.000 0.898 29 Q HN 0.384 nan 8.270 nan 0.000 0.426 30 E N 0.303 120.512 120.200 0.015 0.000 2.051 30 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 30 E C 2.077 178.702 176.600 0.043 0.000 0.991 30 E CA 1.429 57.845 56.400 0.026 0.000 0.799 30 E CB -0.125 29.591 29.700 0.028 0.000 0.748 30 E HN 0.444 nan 8.360 nan 0.000 0.449 31 I N 1.255 121.869 120.570 0.073 0.000 2.179 31 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 31 I C 2.283 178.471 176.117 0.118 0.000 1.088 31 I CA 1.296 62.668 61.300 0.121 0.000 1.357 31 I CB -0.236 37.909 38.000 0.241 0.000 1.051 31 I HN 0.006 nan 8.210 nan 0.000 0.409 32 K N 0.814 121.252 120.400 0.063 0.000 2.209 32 K HA -0.105 4.214 4.320 -0.001 0.000 0.204 32 K C 2.220 178.839 176.600 0.031 0.000 1.048 32 K CA 1.239 57.535 56.287 0.015 0.000 0.940 32 K CB -0.195 32.230 32.500 -0.126 0.000 0.729 32 K HN 0.335 nan 8.250 nan 0.000 0.451 33 A N 1.026 123.861 122.820 0.024 0.000 1.902 33 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 33 A C 2.342 179.946 177.584 0.033 0.000 1.181 33 A CA 1.281 53.334 52.037 0.026 0.000 0.623 33 A CB -0.521 18.491 19.000 0.020 0.000 0.818 33 A HN 0.054 nan 8.150 nan 0.000 0.443 34 V N 0.142 120.077 119.914 0.036 0.000 2.307 34 V HA -0.272 3.848 4.120 -0.001 0.000 0.245 34 V C 2.399 178.501 176.094 0.013 0.000 1.045 34 V CA 2.276 64.592 62.300 0.027 0.000 1.024 34 V CB -0.946 30.894 31.823 0.028 0.000 0.651 34 V HN 0.638 nan 8.190 nan 0.000 0.449 35 E N 0.273 120.492 120.200 0.030 0.000 2.085 35 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 35 E C 2.411 179.035 176.600 0.040 0.000 0.994 35 E CA 1.720 58.125 56.400 0.008 0.000 0.801 35 E CB -0.255 29.511 29.700 0.109 0.000 0.743 35 E HN 0.516 nan 8.360 nan 0.000 0.453 36 S N 0.857 116.619 115.700 0.103 0.000 2.368 36 S HA -0.192 4.277 4.470 -0.001 0.000 0.225 36 S C 1.700 176.356 174.600 0.094 0.000 1.030 36 S CA 1.453 59.734 58.200 0.135 0.000 0.999 36 S CB -0.270 62.980 63.200 0.083 0.000 0.844 36 S HN 0.298 nan 8.310 nan 0.000 0.459 37 D N 1.335 121.764 120.400 0.049 0.000 2.117 37 D HA -0.100 4.540 4.640 -0.001 0.000 0.197 37 D C 1.804 178.116 176.300 0.021 0.000 0.987 37 D CA 0.920 54.941 54.000 0.036 0.000 0.829 37 D CB -0.164 40.653 40.800 0.028 0.000 0.961 37 D HN 0.175 nan 8.370 nan 0.000 0.460 38 I N 0.723 121.276 120.570 -0.028 0.000 2.127 38 I HA -0.250 3.920 4.170 -0.001 0.000 0.241 38 I C 2.272 178.354 176.117 -0.059 0.000 1.075 38 I CA 1.423 62.673 61.300 -0.084 0.000 1.334 38 I CB -1.412 36.477 38.000 -0.186 0.000 1.040 38 I HN 0.321 nan 8.210 nan 0.000 0.405 39 H N 0.943 120.033 119.070 0.034 0.000 2.352 39 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 39 H C 2.197 177.547 175.328 0.036 0.000 1.097 39 H CA 1.554 57.625 56.048 0.039 0.000 1.311 39 H CB -0.179 29.606 29.762 0.039 0.000 1.377 39 H HN 0.469 nan 8.280 nan 0.000 0.504 40 E N 0.220 120.512 120.200 0.152 0.000 2.077 40 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 40 E C 2.438 179.081 176.600 0.072 0.000 0.989 40 E CA 1.180 57.636 56.400 0.093 0.000 0.800 40 E CB 0.107 29.849 29.700 0.071 0.000 0.746 40 E HN 0.255 nan 8.360 nan 0.000 0.452 41 S N 0.711 116.448 115.700 0.062 0.000 2.368 41 S HA -0.113 4.356 4.470 -0.001 0.000 0.224 41 S C 2.034 176.668 174.600 0.058 0.000 1.029 41 S CA 0.767 58.998 58.200 0.051 0.000 0.988 41 S CB -0.149 63.073 63.200 0.037 0.000 0.838 41 S HN 0.193 nan 8.310 nan 0.000 0.462 42 I N 1.548 122.158 120.570 0.067 0.000 2.179 42 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 42 I C 2.539 178.704 176.117 0.080 0.000 1.088 42 I CA 1.254 62.602 61.300 0.081 0.000 1.357 42 I CB -0.314 37.749 38.000 0.105 0.000 1.051 42 I HN 0.244 nan 8.210 nan 0.000 0.409 43 K N 1.551 122.001 120.400 0.083 0.000 2.020 43 K HA -0.289 4.031 4.320 -0.001 0.000 0.212 43 K C 2.266 178.887 176.600 0.036 0.000 1.050 43 K CA 1.926 58.248 56.287 0.058 0.000 0.929 43 K CB -0.126 32.408 32.500 0.056 0.000 0.714 43 K HN 0.109 nan 8.250 nan 0.000 0.443 44 K N -0.097 120.326 120.400 0.039 0.000 2.057 44 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 44 K C 1.995 178.609 176.600 0.024 0.000 1.049 44 K CA 1.311 57.615 56.287 0.030 0.000 0.931 44 K CB -0.213 32.313 32.500 0.044 0.000 0.714 44 K HN 0.268 nan 8.250 nan 0.000 0.440 45 A N 1.319 124.165 122.820 0.044 0.000 1.877 45 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 45 A C 2.121 179.716 177.584 0.018 0.000 1.186 45 A CA 1.403 53.472 52.037 0.052 0.000 0.620 45 A CB -0.641 18.400 19.000 0.068 0.000 0.822 45 A HN 0.331 nan 8.150 nan 0.000 0.443 46 L N -0.649 120.586 121.223 0.019 0.000 2.141 46 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 46 L C 1.779 178.623 176.870 -0.044 0.000 1.094 46 L CA 1.161 56.001 54.840 -0.000 0.000 0.763 46 L CB -0.509 41.562 42.059 0.020 0.000 0.908 46 L HN 0.289 nan 8.230 nan 0.000 0.437 47 D N 0.429 120.800 120.400 -0.049 0.000 2.194 47 D HA 0.031 4.670 4.640 -0.001 0.000 0.204 47 D C 1.154 177.364 176.300 -0.150 0.000 0.964 47 D CA 0.632 54.586 54.000 -0.077 0.000 0.846 47 D CB -0.031 40.739 40.800 -0.050 0.000 0.962 47 D HN 0.235 nan 8.370 nan 0.000 0.490 48 A N 0.022 122.718 122.820 -0.206 0.000 2.448 48 A HA 0.513 4.833 4.320 -0.001 0.000 0.239 48 A C 0.892 178.074 177.584 -0.669 0.000 1.080 48 A CA 0.795 52.551 52.037 -0.468 0.000 0.779 48 A CB 0.172 18.878 19.000 -0.490 0.000 1.026 48 A HN 0.317 nan 8.150 nan 0.000 0.499 49 G N -0.566 107.617 108.800 -1.027 0.000 2.402 49 G HA2 0.158 4.117 3.960 -0.001 0.000 0.666 49 G HA3 0.158 4.117 3.960 -0.001 0.000 0.666 49 G C 0.266 174.988 174.900 -0.297 0.000 1.402 49 G CA -0.143 44.559 45.100 -0.663 0.000 0.920 49 G HN 1.347 nan 8.290 nan 0.000 0.651 50 I N -0.140 120.371 120.570 -0.098 0.000 2.439 50 I HA 0.089 4.259 4.170 -0.001 0.000 0.251 50 I C 1.251 177.348 176.117 -0.033 0.000 1.139 50 I CA 1.542 62.832 61.300 -0.016 0.000 1.438 50 I CB 0.114 38.147 38.000 0.056 0.000 1.085 50 I HN 0.513 nan 8.210 nan 0.000 0.427 51 T N 2.356 116.885 114.554 -0.042 0.000 2.738 51 T HA 0.264 4.614 4.350 -0.001 0.000 0.298 51 T C 0.177 174.840 174.700 -0.063 0.000 0.962 51 T CA -0.379 61.697 62.100 -0.040 0.000 0.972 51 T CB 0.709 69.561 68.868 -0.026 0.000 0.928 51 T HN 0.388 nan 8.240 nan 0.000 0.474 52 S N 2.292 117.957 115.700 -0.058 0.000 2.608 52 S HA 0.171 4.640 4.470 -0.001 0.000 0.261 52 S C 1.354 175.919 174.600 -0.058 0.000 1.314 52 S CA -0.743 57.419 58.200 -0.064 0.000 0.992 52 S CB 0.991 64.160 63.200 -0.051 0.000 0.935 52 S HN 0.786 nan 8.310 nan 0.000 0.564 53 E N 0.507 120.671 120.200 -0.061 0.000 2.085 53 E HA -0.264 4.086 4.350 -0.001 0.000 0.194 53 E C 1.944 178.514 176.600 -0.049 0.000 0.994 53 E CA 1.620 57.984 56.400 -0.059 0.000 0.801 53 E CB -0.232 29.432 29.700 -0.060 0.000 0.743 53 E HN 0.883 nan 8.360 nan 0.000 0.453 54 E N 0.521 120.696 120.200 -0.041 0.000 2.058 54 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 54 E C 2.019 178.602 176.600 -0.030 0.000 0.997 54 E CA 1.373 57.754 56.400 -0.033 0.000 0.801 54 E CB 0.066 29.749 29.700 -0.027 0.000 0.746 54 E HN 0.115 nan 8.360 nan 0.000 0.450 55 K N 0.214 120.596 120.400 -0.030 0.000 2.032 55 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 55 K C 2.357 178.940 176.600 -0.028 0.000 1.048 55 K CA 1.379 57.651 56.287 -0.025 0.000 0.927 55 K CB -0.215 32.271 32.500 -0.023 0.000 0.712 55 K HN 0.230 nan 8.250 nan 0.000 0.441 56 L N 1.259 122.459 121.223 -0.038 0.000 1.990 56 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 56 L C 2.038 178.883 176.870 -0.041 0.000 1.072 56 L CA 1.278 56.090 54.840 -0.045 0.000 0.755 56 L CB -0.641 41.381 42.059 -0.063 0.000 0.889 56 L HN 0.228 nan 8.230 nan 0.000 0.432 57 N N 0.074 118.749 118.700 -0.041 0.000 2.104 57 N HA -0.205 4.535 4.740 -0.001 0.000 0.190 57 N C 1.729 177.228 175.510 -0.019 0.000 1.024 57 N CA 1.345 54.375 53.050 -0.033 0.000 0.853 57 N CB -0.269 38.198 38.487 -0.034 0.000 1.008 57 N HN 0.412 nan 8.380 nan 0.000 0.424 58 E N 0.247 120.437 120.200 -0.017 0.000 2.153 58 E HA -0.064 4.285 4.350 -0.001 0.000 0.194 58 E C 1.464 178.061 176.600 -0.004 0.000 0.988 58 E CA 0.693 57.087 56.400 -0.009 0.000 0.811 58 E CB -0.003 29.691 29.700 -0.009 0.000 0.746 58 E HN 0.328 nan 8.360 nan 0.000 0.466 59 R N -0.638 119.857 120.500 -0.009 0.000 2.310 59 R HA 0.085 4.425 4.340 -0.001 0.000 0.202 59 R C 0.803 177.102 176.300 -0.001 0.000 0.933 59 R CA 0.499 56.596 56.100 -0.005 0.000 1.054 59 R CB 0.636 30.929 30.300 -0.011 0.000 0.985 59 R HN 0.210 nan 8.270 nan 0.000 0.489 60 G N 0.964 109.765 108.800 0.002 0.000 2.130 60 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 60 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 60 G C -0.257 174.646 174.900 0.005 0.000 0.999 60 G CA -0.413 44.702 45.100 0.025 0.000 0.686 60 G HN 0.305 nan 8.290 nan 0.000 0.515 61 Q N -0.659 119.119 119.800 -0.036 0.000 2.394 61 Q HA 0.704 5.044 4.340 -0.001 0.000 0.273 61 Q C 0.058 175.999 176.000 -0.097 0.000 1.089 61 Q CA -0.863 54.890 55.803 -0.082 0.000 0.812 61 Q CB 2.307 30.980 28.738 -0.108 0.000 1.353 61 Q HN 0.299 nan 8.270 nan 0.000 0.438 62 L N 1.003 122.136 121.223 -0.150 0.000 2.399 62 L HA 0.399 4.738 4.340 -0.001 0.000 0.265 62 L C 0.706 177.461 176.870 -0.192 0.000 1.089 62 L CA -0.466 54.279 54.840 -0.160 0.000 0.802 62 L CB 1.302 43.254 42.059 -0.177 0.000 1.180 62 L HN 0.728 nan 8.230 nan 0.000 0.454 63 S N 0.588 116.195 115.700 -0.155 0.000 2.655 63 S HA 0.351 4.821 4.470 -0.001 0.000 0.265 63 S C 1.048 175.544 174.600 -0.174 0.000 1.240 63 S CA -0.135 57.978 58.200 -0.145 0.000 0.986 63 S CB 1.395 64.528 63.200 -0.111 0.000 0.985 63 S HN 0.696 nan 8.310 nan 0.000 0.562 64 A N 1.127 123.860 122.820 -0.144 0.000 1.873 64 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 64 A C 2.280 179.751 177.584 -0.188 0.000 1.193 64 A CA 1.867 53.817 52.037 -0.146 0.000 0.629 64 A CB -0.954 17.995 19.000 -0.086 0.000 0.826 64 A HN 0.764 nan 8.150 nan 0.000 0.447 65 M N -0.619 118.878 119.600 -0.172 0.000 2.175 65 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 65 M C 2.225 178.391 176.300 -0.224 0.000 1.063 65 M CA 1.410 56.577 55.300 -0.222 0.000 1.119 65 M CB -1.490 31.017 32.600 -0.155 0.000 1.377 65 M HN 0.549 nan 8.290 nan 0.000 0.415 66 Q N -0.580 119.115 119.800 -0.175 0.000 2.084 66 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 66 Q C 2.217 178.112 176.000 -0.175 0.000 0.978 66 Q CA 1.345 57.054 55.803 -0.157 0.000 0.844 66 Q CB -0.080 28.580 28.738 -0.130 0.000 0.898 66 Q HN 0.486 nan 8.270 nan 0.000 0.426 67 R N 0.116 120.495 120.500 -0.202 0.000 2.066 67 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 67 R C 2.250 178.432 176.300 -0.196 0.000 1.131 67 R CA 1.162 57.145 56.100 -0.195 0.000 0.955 67 R CB -0.234 29.921 30.300 -0.243 0.000 0.851 67 R HN 0.242 nan 8.270 nan 0.000 0.432 68 I N 1.269 121.674 120.570 -0.275 0.000 2.179 68 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 68 I C 1.714 177.625 176.117 -0.344 0.000 1.088 68 I CA 1.164 62.233 61.300 -0.386 0.000 1.357 68 I CB -0.357 37.221 38.000 -0.703 0.000 1.051 68 I HN 0.180 nan 8.210 nan 0.000 0.409 69 N N 1.041 119.552 118.700 -0.316 0.000 2.223 69 N HA -0.131 4.609 4.740 -0.001 0.000 0.185 69 N C 1.817 177.235 175.510 -0.154 0.000 1.016 69 N CA 1.516 54.430 53.050 -0.226 0.000 0.863 69 N CB -0.317 38.058 38.487 -0.186 0.000 0.983 69 N HN 0.380 nan 8.380 nan 0.000 0.429 70 A N 0.629 123.364 122.820 -0.141 0.000 1.930 70 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 70 A C 2.197 179.722 177.584 -0.098 0.000 1.175 70 A CA 0.751 52.726 52.037 -0.104 0.000 0.627 70 A CB -0.457 18.488 19.000 -0.091 0.000 0.815 70 A HN 0.224 nan 8.150 nan 0.000 0.443 71 L N 0.103 121.259 121.223 -0.111 0.000 2.072 71 L HA 0.189 4.528 4.340 -0.001 0.000 0.205 71 L C 1.033 177.847 176.870 -0.093 0.000 1.079 71 L CA 1.171 55.956 54.840 -0.092 0.000 0.752 71 L CB -0.397 41.611 42.059 -0.084 0.000 0.906 71 L HN 0.522 nan 8.230 nan 0.000 0.436 72 I N -2.379 118.126 120.570 -0.109 0.000 2.677 72 I HA 0.329 4.499 4.170 -0.001 0.000 0.305 72 I C -0.564 175.498 176.117 -0.093 0.000 0.988 72 I CA -0.970 60.272 61.300 -0.096 0.000 1.260 72 I CB 0.396 38.357 38.000 -0.065 0.000 1.410 72 I HN -0.113 nan 8.210 nan 0.000 0.523 73 D N 4.697 125.029 120.400 -0.113 0.000 2.425 73 D HA 0.209 4.849 4.640 -0.001 0.000 0.247 73 D C -2.281 173.982 176.300 -0.062 0.000 1.147 73 D CA -0.940 52.999 54.000 -0.102 0.000 0.879 73 D CB 0.345 41.054 40.800 -0.152 0.000 1.179 73 D HN 0.397 nan 8.370 nan 0.000 0.456 74 P HA 0.063 nan 4.420 nan 0.000 0.261 74 P C 0.950 178.258 177.300 0.013 0.000 1.173 74 P CA 0.633 63.726 63.100 -0.012 0.000 0.760 74 P CB 0.515 32.207 31.700 -0.013 0.000 0.783 75 G N 2.312 111.141 108.800 0.048 0.000 2.179 75 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 75 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 75 G C 0.726 175.694 174.900 0.114 0.000 0.977 75 G CA 0.590 45.738 45.100 0.080 0.000 0.641 75 G HN 0.672 nan 8.290 nan 0.000 0.533 76 T N -3.607 111.014 114.554 0.112 0.000 3.069 76 T HA 0.253 4.603 4.350 -0.001 0.000 0.252 76 T C 0.858 175.722 174.700 0.273 0.000 1.053 76 T CA 0.201 62.394 62.100 0.155 0.000 0.964 76 T CB 0.012 68.826 68.868 -0.090 0.000 1.005 76 T HN 0.590 nan 8.240 nan 0.000 0.532 77 W N 1.956 123.265 121.300 0.016 0.000 2.446 77 W HA 0.418 5.077 4.660 -0.001 0.000 0.316 77 W C -1.287 175.200 176.519 -0.053 0.000 1.376 77 W CA -1.103 56.235 57.345 -0.012 0.000 1.300 77 W CB 0.399 29.849 29.460 -0.017 0.000 1.351 77 W HN 0.120 nan 8.180 nan 0.000 0.530 78 C N 9.615 128.486 119.300 -0.715 0.000 2.621 78 C HA 0.266 4.725 4.460 -0.001 0.000 0.272 78 C C -1.767 172.473 174.990 -1.250 0.000 1.119 78 C CA -1.404 56.999 59.018 -1.023 0.000 1.593 78 C CB -0.223 26.807 27.740 -1.184 0.000 1.749 78 C HN 0.407 nan 8.230 nan 0.000 0.420 79 P HA 0.335 nan 4.420 nan 0.000 0.271 79 P C -0.880 176.168 177.300 -0.420 0.000 1.218 79 P CA 0.362 62.885 63.100 -0.962 0.000 0.780 79 P CB 1.173 32.612 31.700 -0.435 0.000 0.901 80 L N 2.141 123.154 121.223 -0.349 0.000 2.388 80 L HA 0.336 4.676 4.340 -0.001 0.000 0.264 80 L C 0.545 177.344 176.870 -0.119 0.000 0.998 80 L CA -0.734 53.961 54.840 -0.241 0.000 0.817 80 L CB 1.434 43.280 42.059 -0.354 0.000 1.338 80 L HN 0.380 nan 8.230 nan 0.000 0.414 81 N N -0.300 118.341 118.700 -0.097 0.000 2.714 81 N HA -0.227 4.512 4.740 -0.001 0.000 0.250 81 N C 0.848 176.406 175.510 0.080 0.000 1.117 81 N CA 0.800 53.838 53.050 -0.019 0.000 0.719 81 N CB -0.986 37.457 38.487 -0.073 0.000 1.081 81 N HN 0.629 nan 8.380 nan 0.000 0.557 82 S N -0.098 115.627 115.700 0.041 0.000 2.365 82 S HA -0.115 4.355 4.470 -0.001 0.000 0.225 82 S C 1.376 176.028 174.600 0.086 0.000 1.039 82 S CA 1.131 59.375 58.200 0.073 0.000 1.033 82 S CB 0.012 63.245 63.200 0.055 0.000 0.887 82 S HN 0.430 nan 8.310 nan 0.000 0.447 83 L N 0.199 121.466 121.223 0.072 0.000 2.667 83 L HA 0.345 4.684 4.340 -0.001 0.000 0.232 83 L C 0.019 176.937 176.870 0.081 0.000 1.138 83 L CA -0.447 54.427 54.840 0.058 0.000 0.921 83 L CB -0.081 41.990 42.059 0.021 0.000 1.180 83 L HN 0.194 nan 8.230 nan 0.000 0.487 84 F N 2.443 122.365 119.950 -0.047 0.000 2.590 84 F HA 0.045 4.572 4.527 0.001 0.000 0.389 84 F C 0.643 176.414 175.800 -0.048 0.000 1.049 84 F CA 0.130 58.093 58.000 -0.062 0.000 1.199 84 F CB 0.153 39.123 39.000 -0.051 0.000 1.058 84 F HN 0.028 nan 8.300 nan 0.000 0.556 85 N N 7.327 125.694 118.700 -0.554 0.000 2.725 85 N HA 0.213 4.952 4.740 -0.001 0.000 0.225 85 N C -2.326 172.890 175.510 -0.490 0.000 1.465 85 N CA -0.994 51.777 53.050 -0.466 0.000 0.830 85 N CB 0.496 38.861 38.487 -0.204 0.000 1.460 85 N HN 0.209 nan 8.380 nan 0.000 0.538 86 P HA -0.057 nan 4.420 nan 0.000 0.220 86 P C 0.222 177.363 177.300 -0.266 0.000 1.148 86 P CA 1.184 64.016 63.100 -0.447 0.000 0.803 86 P CB 0.498 31.930 31.700 -0.447 0.000 0.782 87 E N -0.339 119.713 120.200 -0.247 0.000 2.463 87 E HA 0.066 4.416 4.350 -0.001 0.000 0.193 87 E C 0.050 176.578 176.600 -0.119 0.000 1.041 87 E CA -0.252 56.060 56.400 -0.147 0.000 0.879 87 E CB -0.579 29.050 29.700 -0.118 0.000 0.997 87 E HN 0.248 nan 8.360 nan 0.000 0.478 88 N N 2.139 120.755 118.700 -0.139 0.000 2.738 88 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 88 N C -0.571 174.885 175.510 -0.090 0.000 1.047 88 N CA 0.371 53.359 53.050 -0.102 0.000 0.707 88 N CB -1.582 36.862 38.487 -0.072 0.000 0.937 88 N HN 0.218 nan 8.380 nan 0.000 0.545 89 N N 1.441 120.084 118.700 -0.095 0.000 2.441 89 N HA -0.022 4.718 4.740 -0.001 0.000 0.251 89 N C 1.692 177.136 175.510 -0.110 0.000 1.242 89 N CA 0.186 53.182 53.050 -0.090 0.000 0.898 89 N CB 0.672 39.124 38.487 -0.058 0.000 1.100 89 N HN 0.488 nan 8.380 nan 0.000 0.443 90 K N 0.505 120.781 120.400 -0.207 0.000 2.147 90 K HA -0.092 4.227 4.320 -0.001 0.000 0.205 90 K C 0.640 177.111 176.600 -0.216 0.000 1.049 90 K CA 1.489 57.604 56.287 -0.287 0.000 0.936 90 K CB -0.179 32.039 32.500 -0.469 0.000 0.722 90 K HN 0.283 nan 8.250 nan 0.000 0.446 91 F N 0.714 120.665 119.950 0.001 0.000 2.765 91 F HA 0.310 4.837 4.527 -0.001 0.000 0.302 91 F C 1.457 177.257 175.800 0.001 0.000 1.111 91 F CA 0.107 58.110 58.000 0.005 0.000 1.359 91 F CB 0.493 39.500 39.000 0.011 0.000 1.097 91 F HN 0.397 nan 8.300 nan 0.000 0.577 92 G N 0.647 109.520 108.800 0.120 0.000 2.141 92 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.231 92 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.231 92 G C 0.332 175.258 174.900 0.043 0.000 0.984 92 G CA 0.335 45.470 45.100 0.059 0.000 0.660 92 G HN 0.589 nan 8.290 nan 0.000 0.525 93 T N -3.797 110.794 114.554 0.062 0.000 2.838 93 T HA 0.673 5.022 4.350 -0.001 0.000 0.292 93 T C 0.942 175.661 174.700 0.032 0.000 1.113 93 T CA 0.806 62.939 62.100 0.055 0.000 1.008 93 T CB 1.536 70.459 68.868 0.092 0.000 1.259 93 T HN 0.918 nan 8.240 nan 0.000 0.520 94 T N -0.781 113.801 114.554 0.047 0.000 3.163 94 T HA 0.229 4.579 4.350 -0.001 0.000 0.252 94 T C 0.834 175.587 174.700 0.088 0.000 1.056 94 T CA -0.010 62.120 62.100 0.049 0.000 0.947 94 T CB -0.798 68.121 68.868 0.086 0.000 1.016 94 T HN 0.801 nan 8.240 nan 0.000 0.554 95 N N 0.709 119.468 118.700 0.099 0.000 2.800 95 N HA -0.142 4.597 4.740 -0.001 0.000 0.250 95 N C -0.235 175.336 175.510 0.103 0.000 1.078 95 N CA 1.225 54.341 53.050 0.109 0.000 0.804 95 N CB -1.698 36.866 38.487 0.128 0.000 1.135 95 N HN 0.960 nan 8.380 nan 0.000 0.565 96 I N -4.262 116.368 120.570 0.101 0.000 2.934 96 I HA 0.741 4.910 4.170 -0.001 0.000 0.306 96 I C -0.345 175.833 176.117 0.102 0.000 1.110 96 I CA -1.146 60.210 61.300 0.093 0.000 1.019 96 I CB 2.350 40.403 38.000 0.088 0.000 1.227 96 I HN -0.238 nan 8.210 nan 0.000 0.434 97 V N 4.617 124.591 119.914 0.099 0.000 2.448 97 V HA 0.520 4.640 4.120 -0.001 0.000 0.295 97 V C -0.499 175.711 176.094 0.195 0.000 1.025 97 V CA -0.414 61.976 62.300 0.150 0.000 0.859 97 V CB 1.306 33.200 31.823 0.119 0.000 0.988 97 V HN 0.964 nan 8.190 nan 0.000 0.431 98 N N 3.290 122.129 118.700 0.231 0.000 2.357 98 N HA 0.862 5.601 4.740 -0.001 0.000 0.284 98 N C -0.384 175.115 175.510 -0.018 0.000 1.236 98 N CA -0.045 53.119 53.050 0.190 0.000 0.774 98 N CB 3.065 41.667 38.487 0.192 0.000 1.534 98 N HN 0.905 nan 8.380 nan 0.000 0.478 99 G N -0.259 108.323 108.800 -0.363 0.000 2.345 99 G HA2 0.207 4.167 3.960 -0.001 0.000 0.285 99 G HA3 0.207 4.167 3.960 -0.001 0.000 0.285 99 G C -1.933 172.382 174.900 -0.975 0.000 1.297 99 G CA -0.941 43.625 45.100 -0.889 0.000 0.875 99 G HN 0.485 nan 8.290 nan 0.000 0.506 100 L N 0.664 121.419 121.223 -0.780 0.000 2.307 100 L HA 0.734 5.073 4.340 -0.001 0.000 0.282 100 L C 0.860 177.790 176.870 0.099 0.000 1.051 100 L CA -0.246 54.415 54.840 -0.298 0.000 0.804 100 L CB 1.531 43.457 42.059 -0.221 0.000 1.197 100 L HN 0.972 nan 8.230 nan 0.000 0.431 101 G N 1.979 110.991 108.800 0.353 0.000 2.660 101 G HA2 0.572 4.532 3.960 -0.001 0.000 0.294 101 G HA3 0.572 4.532 3.960 -0.001 0.000 0.294 101 G C -1.810 173.124 174.900 0.056 0.000 1.369 101 G CA -0.669 44.638 45.100 0.346 0.000 0.912 101 G HN 0.471 nan 8.290 nan 0.000 0.479 102 R N 0.074 120.339 120.500 -0.391 0.000 2.460 102 R HA 0.647 4.987 4.340 -0.001 0.000 0.303 102 R C -1.306 174.788 176.300 -0.343 0.000 0.968 102 R CA -0.500 55.163 56.100 -0.729 0.000 0.889 102 R CB 1.910 31.360 30.300 -1.416 0.000 1.123 102 R HN 0.280 nan 8.270 nan 0.000 0.455 103 V N 4.404 124.166 119.914 -0.254 0.000 2.380 103 V HA 0.115 4.235 4.120 -0.001 0.000 0.286 103 V C -0.328 175.688 176.094 -0.131 0.000 1.015 103 V CA -0.569 61.644 62.300 -0.145 0.000 0.834 103 V CB 1.247 33.023 31.823 -0.078 0.000 1.009 103 V HN 0.990 nan 8.190 nan 0.000 0.428 104 D N 4.357 124.685 120.400 -0.121 0.000 2.692 104 D HA -0.189 4.451 4.640 -0.001 0.000 0.233 104 D C 1.320 177.563 176.300 -0.096 0.000 1.172 104 D CA 2.243 56.188 54.000 -0.092 0.000 0.636 104 D CB -0.993 39.770 40.800 -0.062 0.000 1.028 104 D HN 1.441 nan 8.370 nan 0.000 0.419 105 G N -0.583 108.120 108.800 -0.162 0.000 2.217 105 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.246 105 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.246 105 G C 0.350 175.142 174.900 -0.180 0.000 0.990 105 G CA 0.398 45.404 45.100 -0.158 0.000 0.627 105 G HN 0.560 nan 8.290 nan 0.000 0.522 106 K N 0.089 120.393 120.400 -0.160 0.000 2.240 106 K HA 0.405 4.724 4.320 -0.001 0.000 0.271 106 K C -0.406 176.126 176.600 -0.114 0.000 1.018 106 K CA -0.818 55.435 56.287 -0.057 0.000 0.874 106 K CB 0.861 33.374 32.500 0.023 0.000 1.098 106 K HN 0.226 nan 8.250 nan 0.000 0.458 107 W N 3.263 124.608 121.300 0.075 0.000 2.216 107 W HA 0.193 4.852 4.660 -0.001 0.000 0.326 107 W C 0.374 176.943 176.519 0.085 0.000 1.319 107 W CA -0.355 57.032 57.345 0.070 0.000 1.213 107 W CB 0.705 30.206 29.460 0.068 0.000 1.171 107 W HN 0.234 nan 8.180 nan 0.000 0.557 108 V N 1.054 121.168 119.914 0.334 0.000 3.114 108 V HA 0.495 4.614 4.120 -0.001 0.000 0.308 108 V C -1.629 174.616 176.094 0.252 0.000 1.168 108 V CA -1.723 60.729 62.300 0.254 0.000 1.015 108 V CB 1.591 33.514 31.823 0.166 0.000 1.050 108 V HN 0.454 nan 8.190 nan 0.000 0.433 109 Y N 2.273 122.666 120.300 0.154 0.000 2.313 109 Y HA 0.771 5.322 4.550 0.002 0.000 0.332 109 Y C -0.120 175.831 175.900 0.086 0.000 1.071 109 Y CA -0.371 57.798 58.100 0.114 0.000 1.169 109 Y CB 1.319 39.824 38.460 0.076 0.000 1.192 109 Y HN 0.674 nan 8.280 nan 0.000 0.487 110 I N 6.153 126.729 120.570 0.009 0.000 2.474 110 I HA 0.425 4.595 4.170 -0.001 0.000 0.294 110 I C -1.226 174.957 176.117 0.111 0.000 1.005 110 I CA -1.010 60.352 61.300 0.103 0.000 1.113 110 I CB 1.835 39.910 38.000 0.124 0.000 1.289 110 I HN 0.242 nan 8.210 nan 0.000 0.436 111 V N 5.113 125.017 119.914 -0.016 0.000 2.483 111 V HA 0.719 4.838 4.120 -0.001 0.000 0.297 111 V C -0.200 175.861 176.094 -0.054 0.000 1.027 111 V CA -0.504 61.738 62.300 -0.097 0.000 0.855 111 V CB 1.611 33.155 31.823 -0.466 0.000 0.995 111 V HN 0.815 nan 8.190 nan 0.000 0.424 112 A N 3.359 126.186 122.820 0.013 0.000 2.330 112 A HA 0.781 5.101 4.320 -0.001 0.000 0.313 112 A C 0.088 177.700 177.584 0.047 0.000 1.124 112 A CA -0.474 51.577 52.037 0.025 0.000 0.774 112 A CB 1.249 20.227 19.000 -0.037 0.000 1.198 112 A HN 0.707 nan 8.150 nan 0.000 0.465 113 S N 1.532 117.277 115.700 0.075 0.000 2.549 113 S HA 0.133 4.603 4.470 -0.001 0.000 0.283 113 S C -0.078 174.544 174.600 0.037 0.000 1.320 113 S CA -0.062 58.185 58.200 0.079 0.000 1.058 113 S CB 0.558 63.822 63.200 0.106 0.000 0.882 113 S HN 0.695 nan 8.310 nan 0.000 0.498 114 D N 2.195 122.623 120.400 0.047 0.000 2.422 114 D HA 0.081 4.720 4.640 -0.001 0.000 0.227 114 D C 0.813 177.124 176.300 0.018 0.000 1.190 114 D CA -0.498 53.515 54.000 0.021 0.000 0.905 114 D CB 0.029 40.851 40.800 0.036 0.000 1.034 114 D HN 0.515 nan 8.370 nan 0.000 0.507 115 N N 3.029 121.721 118.700 -0.013 0.000 2.521 115 N HA -0.101 4.639 4.740 -0.001 0.000 0.188 115 N C 0.862 176.360 175.510 -0.019 0.000 1.146 115 N CA 0.295 53.338 53.050 -0.013 0.000 0.893 115 N CB -0.003 38.460 38.487 -0.040 0.000 0.975 115 N HN 0.336 nan 8.380 nan 0.000 0.451 116 K N 0.153 120.534 120.400 -0.031 0.000 2.228 116 K HA 0.064 4.383 4.320 -0.001 0.000 0.202 116 K C -0.037 176.545 176.600 -0.031 0.000 1.051 116 K CA 0.749 57.007 56.287 -0.049 0.000 0.960 116 K CB 0.160 32.608 32.500 -0.086 0.000 0.743 116 K HN 0.216 nan 8.250 nan 0.000 0.458 117 K N 0.873 121.280 120.400 0.012 0.000 2.425 117 K HA 0.292 4.612 4.320 -0.001 0.000 0.259 117 K C -0.533 176.127 176.600 0.100 0.000 0.978 117 K CA -0.207 56.125 56.287 0.076 0.000 0.883 117 K CB 1.249 33.827 32.500 0.130 0.000 1.110 117 K HN -0.021 nan 8.250 nan 0.000 0.436 118 M N 2.105 121.769 119.600 0.106 0.000 2.253 118 M HA -0.335 4.145 4.480 -0.001 0.000 0.199 118 M C 0.216 176.561 176.300 0.074 0.000 0.342 118 M CA 0.879 56.237 55.300 0.097 0.000 0.417 118 M CB -1.607 31.060 32.600 0.111 0.000 1.338 118 M HN 0.972 nan 8.290 nan 0.000 0.920 119 A N -1.206 121.648 122.820 0.057 0.000 2.783 119 A HA 0.034 4.354 4.320 -0.001 0.000 0.292 119 A C 1.510 179.126 177.584 0.053 0.000 1.495 119 A CA 1.474 53.538 52.037 0.045 0.000 0.787 119 A CB -2.178 16.849 19.000 0.044 0.000 1.017 119 A HN 2.346 nan 8.150 nan 0.000 0.516 120 G N -2.956 105.885 108.800 0.067 0.000 2.160 120 G HA2 0.178 4.138 3.960 -0.001 0.000 0.244 120 G HA3 0.178 4.138 3.960 -0.001 0.000 0.244 120 G C 0.863 175.840 174.900 0.127 0.000 1.022 120 G CA 1.028 46.184 45.100 0.093 0.000 0.741 120 G HN 2.533 nan 8.290 nan 0.000 0.508 121 A N -0.589 122.294 122.820 0.105 0.000 2.507 121 A HA 0.421 4.740 4.320 -0.001 0.000 0.235 121 A C 0.620 178.358 177.584 0.257 0.000 1.070 121 A CA 0.198 52.294 52.037 0.099 0.000 0.768 121 A CB 0.214 19.244 19.000 0.050 0.000 1.011 121 A HN 0.735 nan 8.150 nan 0.000 0.502 122 W N 1.860 123.181 121.300 0.035 0.000 2.381 122 W HA 0.401 5.061 4.660 0.001 0.000 0.321 122 W C 0.367 176.902 176.519 0.028 0.000 1.407 122 W CA -0.144 57.230 57.345 0.050 0.000 1.274 122 W CB -0.329 29.171 29.460 0.066 0.000 1.310 122 W HN 0.639 nan 8.180 nan 0.000 0.551 123 V N 2.417 122.464 119.914 0.221 0.000 3.019 123 V HA 0.679 4.799 4.120 -0.001 0.000 0.317 123 V C -2.491 173.641 176.094 0.064 0.000 1.094 123 V CA -3.675 58.698 62.300 0.122 0.000 1.000 123 V CB 1.549 33.426 31.823 0.089 0.000 1.060 123 V HN 0.201 nan 8.190 nan 0.000 0.443 124 P HA 0.294 nan 4.420 nan 0.000 0.262 124 P C 0.967 178.230 177.300 -0.061 0.000 1.182 124 P CA 2.018 65.110 63.100 -0.013 0.000 0.761 124 P CB 0.596 32.280 31.700 -0.026 0.000 0.795 125 G N 2.471 111.229 108.800 -0.070 0.000 2.241 125 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.244 125 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.244 125 G C 1.188 176.088 174.900 0.001 0.000 0.998 125 G CA 0.430 45.467 45.100 -0.105 0.000 0.621 125 G HN 0.557 nan 8.290 nan 0.000 0.519 126 Q N 0.471 120.267 119.800 -0.007 0.000 2.084 126 Q HA 0.157 4.497 4.340 -0.001 0.000 0.202 126 Q C 2.915 178.894 176.000 -0.035 0.000 0.978 126 Q CA 2.270 58.079 55.803 0.011 0.000 0.844 126 Q CB -0.326 28.407 28.738 -0.008 0.000 0.898 126 Q HN 1.001 nan 8.270 nan 0.000 0.426 127 A N 0.773 123.522 122.820 -0.119 0.000 1.902 127 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 127 A C 1.879 179.415 177.584 -0.080 0.000 1.181 127 A CA 1.829 53.758 52.037 -0.180 0.000 0.623 127 A CB -0.719 18.133 19.000 -0.246 0.000 0.818 127 A HN 0.535 nan 8.150 nan 0.000 0.443 128 E N 0.734 120.934 120.200 0.000 0.000 2.077 128 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 128 E C 1.916 178.546 176.600 0.050 0.000 0.989 128 E CA 1.731 58.162 56.400 0.051 0.000 0.800 128 E CB -0.396 29.400 29.700 0.160 0.000 0.746 128 E HN 0.538 nan 8.360 nan 0.000 0.452 129 N N 0.166 118.966 118.700 0.167 0.000 2.104 129 N HA -0.136 4.604 4.740 -0.001 0.000 0.190 129 N C 1.860 177.366 175.510 -0.008 0.000 1.024 129 N CA 1.350 54.447 53.050 0.078 0.000 0.853 129 N CB -0.290 38.353 38.487 0.260 0.000 1.008 129 N HN 0.301 nan 8.380 nan 0.000 0.424 130 L N 0.256 121.478 121.223 -0.001 0.000 2.083 130 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 130 L C 2.233 179.075 176.870 -0.047 0.000 1.083 130 L CA 0.720 55.556 54.840 -0.006 0.000 0.752 130 L CB -0.278 41.799 42.059 0.030 0.000 0.899 130 L HN 0.154 nan 8.230 nan 0.000 0.433 131 I N -0.697 119.831 120.570 -0.069 0.000 2.394 131 I HA -0.245 3.925 4.170 -0.001 0.000 0.251 131 I C 2.614 178.666 176.117 -0.109 0.000 1.136 131 I CA 1.022 62.271 61.300 -0.085 0.000 1.425 131 I CB -0.300 37.648 38.000 -0.087 0.000 1.079 131 I HN 0.177 nan 8.210 nan 0.000 0.425 132 R N -0.087 120.340 120.500 -0.121 0.000 2.120 132 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 132 R C 2.385 178.564 176.300 -0.202 0.000 1.123 132 R CA 1.531 57.548 56.100 -0.139 0.000 0.975 132 R CB -0.551 29.647 30.300 -0.170 0.000 0.866 132 R HN 0.437 nan 8.270 nan 0.000 0.446 133 C N -0.043 119.100 119.300 -0.263 0.000 2.462 133 C HA -0.074 4.385 4.460 -0.001 0.000 0.278 133 C C 3.068 177.702 174.990 -0.594 0.000 1.253 133 C CA 1.236 59.886 59.018 -0.613 0.000 1.713 133 C CB -0.825 26.718 27.740 -0.329 0.000 2.049 133 C HN 0.585 nan 8.230 nan 0.000 0.477 134 S N 1.159 116.698 115.700 -0.268 0.000 2.402 134 S HA -0.167 4.303 4.470 -0.001 0.000 0.229 134 S C 1.227 175.741 174.600 -0.144 0.000 1.021 134 S CA 1.757 59.862 58.200 -0.158 0.000 0.974 134 S CB -0.541 62.636 63.200 -0.038 0.000 0.800 134 S HN 0.513 nan 8.310 nan 0.000 0.484 135 D N 2.528 122.845 120.400 -0.139 0.000 2.097 135 D HA 0.061 4.701 4.640 -0.001 0.000 0.195 135 D C 2.301 178.555 176.300 -0.077 0.000 0.989 135 D CA 1.504 55.449 54.000 -0.092 0.000 0.827 135 D CB -0.723 40.029 40.800 -0.079 0.000 0.966 135 D HN 0.520 nan 8.370 nan 0.000 0.456 136 A N 0.923 123.675 122.820 -0.113 0.000 1.877 136 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 136 A C 2.308 179.895 177.584 0.005 0.000 1.186 136 A CA 2.428 54.466 52.037 0.002 0.000 0.620 136 A CB -0.838 18.217 19.000 0.091 0.000 0.822 136 A HN 0.240 nan 8.150 nan 0.000 0.443 137 A N -0.270 122.483 122.820 -0.112 0.000 1.902 137 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 137 A C 2.139 179.715 177.584 -0.013 0.000 1.181 137 A CA 2.067 54.093 52.037 -0.019 0.000 0.623 137 A CB -0.489 18.481 19.000 -0.050 0.000 0.818 137 A HN 0.584 nan 8.150 nan 0.000 0.443 138 K N -0.785 119.592 120.400 -0.038 0.000 2.009 138 K HA -0.144 4.176 4.320 -0.001 0.000 0.210 138 K C 2.083 178.688 176.600 0.009 0.000 1.049 138 K CA 1.954 58.225 56.287 -0.025 0.000 0.929 138 K CB -0.280 32.203 32.500 -0.028 0.000 0.714 138 K HN 0.486 nan 8.250 nan 0.000 0.440 139 M N -0.169 119.436 119.600 0.009 0.000 2.229 139 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 139 M C 1.932 178.249 176.300 0.028 0.000 1.063 139 M CA 1.437 56.746 55.300 0.015 0.000 1.114 139 M CB 0.045 32.649 32.600 0.006 0.000 1.387 139 M HN 0.231 nan 8.290 nan 0.000 0.420 140 M N -2.129 117.500 119.600 0.049 0.000 2.428 140 M HA 0.034 4.514 4.480 -0.001 0.000 0.239 140 M C 0.024 176.396 176.300 0.120 0.000 1.121 140 M CA 0.230 55.555 55.300 0.042 0.000 1.019 140 M CB -0.229 32.402 32.600 0.051 0.000 1.485 140 M HN 0.255 nan 8.290 nan 0.000 0.484 141 H N 0.574 119.653 119.070 0.015 0.000 2.692 141 H HA -0.143 4.408 4.556 -0.008 0.000 0.316 141 H C -1.180 174.190 175.328 0.070 0.000 1.176 141 H CA 0.108 56.177 56.048 0.036 0.000 1.142 141 H CB -0.997 28.779 29.762 0.024 0.000 1.475 141 H HN 0.234 nan 8.280 nan 0.000 0.423 142 L N 1.389 122.667 121.223 0.091 0.000 2.329 142 L HA 0.543 4.882 4.340 -0.001 0.000 0.279 142 L C -2.121 174.820 176.870 0.118 0.000 1.014 142 L CA -1.964 52.963 54.840 0.145 0.000 0.814 142 L CB 1.175 43.351 42.059 0.193 0.000 1.257 142 L HN -0.047 nan 8.230 nan 0.000 0.424 143 P HA 0.091 nan 4.420 nan 0.000 0.266 143 P C -1.315 176.084 177.300 0.165 0.000 1.195 143 P CA -0.132 63.046 63.100 0.130 0.000 0.768 143 P CB 0.488 32.272 31.700 0.140 0.000 0.838 144 L N 5.023 126.336 121.223 0.150 0.000 2.296 144 L HA 0.438 4.778 4.340 -0.001 0.000 0.286 144 L C -1.021 175.963 176.870 0.191 0.000 1.023 144 L CA -0.220 54.726 54.840 0.178 0.000 0.812 144 L CB 0.421 42.570 42.059 0.149 0.000 1.223 144 L HN 0.169 nan 8.230 nan 0.000 0.421 145 I N 5.766 126.437 120.570 0.169 0.000 2.362 145 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 145 I C -0.853 175.338 176.117 0.125 0.000 0.994 145 I CA -0.481 60.915 61.300 0.161 0.000 1.158 145 I CB 1.005 39.078 38.000 0.121 0.000 1.315 145 I HN 0.517 nan 8.210 nan 0.000 0.451 146 Y N 5.834 126.207 120.300 0.123 0.000 2.328 146 Y HA 0.445 4.993 4.550 -0.003 0.000 0.337 146 Y C 0.172 176.145 175.900 0.121 0.000 1.008 146 Y CA -0.425 57.751 58.100 0.125 0.000 1.129 146 Y CB 1.663 40.203 38.460 0.135 0.000 1.185 146 Y HN 0.353 nan 8.280 nan 0.000 0.476 147 L N 6.276 127.652 121.223 0.255 0.000 2.321 147 L HA 0.340 4.680 4.340 -0.001 0.000 0.272 147 L C -0.963 176.090 176.870 0.304 0.000 1.050 147 L CA -0.472 54.541 54.840 0.288 0.000 0.893 147 L CB 0.426 42.574 42.059 0.148 0.000 1.272 147 L HN 0.411 nan 8.230 nan 0.000 0.435 148 L N 3.684 125.128 121.223 0.368 0.000 2.309 148 L HA 0.539 4.878 4.340 -0.001 0.000 0.282 148 L C -0.234 176.807 176.870 0.285 0.000 1.036 148 L CA 0.299 55.311 54.840 0.287 0.000 0.806 148 L CB 1.126 43.316 42.059 0.217 0.000 1.220 148 L HN 0.434 nan 8.230 nan 0.000 0.429 149 N N 3.902 122.716 118.700 0.190 0.000 2.946 149 N HA 0.136 4.876 4.740 -0.001 0.000 0.213 149 N C -2.051 173.523 175.510 0.108 0.000 1.440 149 N CA -0.255 52.880 53.050 0.142 0.000 0.745 149 N CB 0.805 39.344 38.487 0.088 0.000 1.471 149 N HN 0.594 nan 8.380 nan 0.000 0.569 150 C N 2.740 122.105 119.300 0.109 0.000 2.407 150 C HA 0.472 4.932 4.460 -0.001 0.000 0.328 150 C C 1.561 176.571 174.990 0.033 0.000 1.137 150 C CA -0.367 58.714 59.018 0.104 0.000 1.390 150 C CB -0.442 27.402 27.740 0.174 0.000 1.989 150 C HN 0.625 nan 8.230 nan 0.000 0.432 151 S N 4.088 119.785 115.700 -0.005 0.000 2.650 151 S HA 0.445 4.914 4.470 -0.001 0.000 0.219 151 S C 1.093 175.563 174.600 -0.217 0.000 0.960 151 S CA 0.732 58.897 58.200 -0.058 0.000 0.925 151 S CB -0.556 62.636 63.200 -0.013 0.000 0.775 151 S HN 2.320 nan 8.310 nan 0.000 0.525 152 G N 0.867 109.434 108.800 -0.387 0.000 2.593 152 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.237 152 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.237 152 G C -0.341 174.079 174.900 -0.801 0.000 1.312 152 G CA -0.561 44.003 45.100 -0.894 0.000 0.896 152 G HN 0.918 nan 8.290 nan 0.000 0.574 153 V N 1.621 121.061 119.914 -0.790 0.000 2.539 153 V HA 0.135 4.255 4.120 -0.001 0.000 0.300 153 V C 1.303 177.120 176.094 -0.461 0.000 1.019 153 V CA 1.364 63.444 62.300 -0.366 0.000 1.160 153 V CB 1.040 32.707 31.823 -0.260 0.000 0.901 153 V HN 0.730 nan 8.190 nan 0.000 0.481 154 E N 4.419 124.529 120.200 -0.149 0.000 2.238 154 E HA 0.030 4.379 4.350 -0.001 0.000 0.264 154 E C 0.332 176.881 176.600 -0.086 0.000 1.136 154 E CA -0.293 56.040 56.400 -0.111 0.000 0.929 154 E CB 0.230 29.954 29.700 0.040 0.000 1.010 154 E HN 0.559 nan 8.360 nan 0.000 0.440 155 F N 5.371 125.344 119.950 0.037 0.000 2.063 155 F HA -0.179 4.348 4.527 0.000 0.000 0.298 155 F C -0.532 175.286 175.800 0.029 0.000 1.109 155 F CA 1.084 59.098 58.000 0.023 0.000 1.212 155 F CB -1.547 37.456 39.000 0.005 0.000 0.973 155 F HN 0.581 nan 8.300 nan 0.000 0.480 156 P HA -0.100 nan 4.420 nan 0.000 0.225 156 P C 0.432 177.786 177.300 0.091 0.000 1.148 156 P CA 1.317 64.491 63.100 0.123 0.000 0.779 156 P CB 0.035 31.791 31.700 0.093 0.000 0.780 157 N N -0.676 118.078 118.700 0.090 0.000 2.275 157 N HA 0.017 4.756 4.740 -0.001 0.000 0.236 157 N C 1.350 176.920 175.510 0.100 0.000 1.154 157 N CA 0.082 53.178 53.050 0.078 0.000 0.866 157 N CB 0.324 38.849 38.487 0.064 0.000 1.093 157 N HN 0.234 nan 8.380 nan 0.000 0.515 158 Q N 1.359 121.225 119.800 0.110 0.000 2.152 158 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 158 Q C 1.155 177.264 176.000 0.182 0.000 0.985 158 Q CA 2.007 57.894 55.803 0.141 0.000 0.863 158 Q CB -0.536 28.264 28.738 0.103 0.000 0.904 158 Q HN 0.298 nan 8.270 nan 0.000 0.422 159 D N 0.604 121.084 120.400 0.133 0.000 2.263 159 D HA -0.194 4.446 4.640 -0.001 0.000 0.208 159 D C 1.162 177.524 176.300 0.104 0.000 0.971 159 D CA 1.194 55.269 54.000 0.126 0.000 0.867 159 D CB -0.078 40.773 40.800 0.084 0.000 0.929 159 D HN 0.482 nan 8.370 nan 0.000 0.492 160 K N 0.043 120.498 120.400 0.093 0.000 2.354 160 K HA 0.086 4.406 4.320 -0.001 0.000 0.194 160 K C 1.878 178.516 176.600 0.063 0.000 1.038 160 K CA 0.423 56.745 56.287 0.058 0.000 1.052 160 K CB 1.262 33.784 32.500 0.037 0.000 0.861 160 K HN 0.182 nan 8.250 nan 0.000 0.535 161 V N -2.681 117.311 119.914 0.130 0.000 3.539 161 V HA 0.110 4.230 4.120 -0.001 0.000 0.262 161 V C 1.632 177.877 176.094 0.252 0.000 1.381 161 V CA -0.173 62.225 62.300 0.163 0.000 1.060 161 V CB -0.401 31.577 31.823 0.258 0.000 0.842 161 V HN 0.160 nan 8.190 nan 0.000 0.445 162 Y N 3.410 123.814 120.300 0.173 0.000 2.230 162 Y HA 0.496 5.047 4.550 0.001 0.000 0.294 162 Y C -0.869 175.103 175.900 0.120 0.000 1.120 162 Y CA 0.665 58.892 58.100 0.211 0.000 1.129 162 Y CB -0.775 37.782 38.460 0.162 0.000 1.040 162 Y HN 0.362 nan 8.280 nan 0.000 0.519 163 P HA 0.207 nan 4.420 nan 0.000 0.310 163 P C -0.994 176.170 177.300 -0.227 0.000 1.309 163 P CA -0.298 62.569 63.100 -0.388 0.000 0.769 163 P CB 1.046 32.717 31.700 -0.049 0.000 1.327 164 N N -1.749 116.843 118.700 -0.180 0.000 5.702 164 N HA -0.115 4.624 4.740 -0.001 0.000 0.387 164 N C 1.168 176.583 175.510 -0.159 0.000 1.421 164 N CA 0.155 53.126 53.050 -0.132 0.000 2.374 164 N CB -0.387 38.044 38.487 -0.094 0.000 0.610 164 N HN 0.413 nan 8.380 nan 0.000 0.619 165 R N 1.163 121.581 120.500 -0.137 0.000 2.105 165 R HA -0.057 4.282 4.340 -0.001 0.000 0.239 165 R C 0.412 176.614 176.300 -0.163 0.000 1.135 165 R CA 1.405 57.412 56.100 -0.154 0.000 0.967 165 R CB -0.046 30.178 30.300 -0.127 0.000 0.861 165 R HN 0.338 nan 8.270 nan 0.000 0.442 166 R N 0.610 121.025 120.500 -0.143 0.000 3.026 166 R HA 0.241 4.581 4.340 -0.001 0.000 0.317 166 R C -0.117 176.087 176.300 -0.160 0.000 1.278 166 R CA -0.387 55.626 56.100 -0.144 0.000 1.407 166 R CB 1.608 31.844 30.300 -0.107 0.000 1.368 166 R HN 0.127 nan 8.270 nan 0.000 0.612 167 G N -1.097 107.580 108.800 -0.204 0.000 2.971 167 G HA2 0.341 4.300 3.960 -0.001 0.000 0.235 167 G HA3 0.341 4.300 3.960 -0.001 0.000 0.235 167 G C 0.868 175.549 174.900 -0.366 0.000 1.351 167 G CA -0.323 44.639 45.100 -0.230 0.000 1.039 167 G HN 0.203 nan 8.290 nan 0.000 0.563 168 G N -0.644 107.893 108.800 -0.439 0.000 2.479 168 G HA2 0.096 4.056 3.960 -0.001 0.000 0.220 168 G HA3 0.096 4.056 3.960 -0.001 0.000 0.220 168 G C 1.490 175.884 174.900 -0.843 0.000 1.115 168 G CA 1.525 46.059 45.100 -0.943 0.000 0.757 168 G HN 0.947 nan 8.290 nan 0.000 0.560 169 G N -0.245 108.279 108.800 -0.459 0.000 2.623 169 G HA2 0.026 3.985 3.960 -0.001 0.000 0.214 169 G HA3 0.026 3.985 3.960 -0.001 0.000 0.214 169 G C 1.702 176.329 174.900 -0.454 0.000 1.138 169 G CA 1.295 46.151 45.100 -0.407 0.000 0.794 169 G HN 0.345 nan 8.290 nan 0.000 0.535 170 T N 2.182 116.504 114.554 -0.386 0.000 2.746 170 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 170 T C 0.061 174.634 174.700 -0.210 0.000 1.039 170 T CA 1.316 63.287 62.100 -0.214 0.000 1.142 170 T CB -0.871 67.870 68.868 -0.213 0.000 0.866 170 T HN 0.234 nan 8.240 nan 0.000 0.444 171 P HA -0.048 nan 4.420 nan 0.000 0.219 171 P C 0.824 178.028 177.300 -0.160 0.000 1.146 171 P CA 0.867 63.803 63.100 -0.273 0.000 0.808 171 P CB -0.252 31.270 31.700 -0.297 0.000 0.779 172 F N -2.224 117.685 119.950 -0.068 0.000 2.146 172 F HA -0.039 4.487 4.527 -0.002 0.000 0.298 172 F C 2.082 177.800 175.800 -0.136 0.000 1.096 172 F CA 0.629 58.557 58.000 -0.119 0.000 1.275 172 F CB -1.947 36.964 39.000 -0.148 0.000 1.008 172 F HN -0.125 nan 8.300 nan 0.000 0.480 173 F N 0.554 120.543 119.950 0.065 0.000 2.134 173 F HA -0.137 4.387 4.527 -0.005 0.000 0.299 173 F C 2.398 178.199 175.800 0.003 0.000 1.097 173 F CA 1.035 59.048 58.000 0.021 0.000 1.264 173 F CB -0.473 38.513 39.000 -0.023 0.000 1.001 173 F HN -0.220 nan 8.300 nan 0.000 0.479 174 R N 0.466 121.056 120.500 0.151 0.000 2.096 174 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 174 R C 1.698 178.040 176.300 0.071 0.000 1.127 174 R CA 1.295 57.442 56.100 0.077 0.000 0.968 174 R CB -1.632 28.687 30.300 0.031 0.000 0.861 174 R HN 0.454 nan 8.270 nan 0.000 0.440 175 N N 0.126 118.876 118.700 0.084 0.000 2.188 175 N HA -0.083 4.657 4.740 -0.001 0.000 0.184 175 N C 1.562 177.096 175.510 0.040 0.000 1.018 175 N CA 1.189 54.286 53.050 0.078 0.000 0.858 175 N CB 0.009 38.551 38.487 0.092 0.000 0.989 175 N HN 0.082 nan 8.380 nan 0.000 0.426 176 S N 0.750 116.462 115.700 0.021 0.000 2.383 176 S HA -0.158 4.311 4.470 -0.001 0.000 0.227 176 S C 1.767 176.381 174.600 0.024 0.000 1.026 176 S CA 0.814 59.013 58.200 -0.000 0.000 0.981 176 S CB -0.178 62.997 63.200 -0.042 0.000 0.818 176 S HN 0.377 nan 8.310 nan 0.000 0.472 177 E N 1.220 121.448 120.200 0.047 0.000 2.058 177 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 177 E C 1.980 178.591 176.600 0.019 0.000 0.997 177 E CA 1.006 57.430 56.400 0.041 0.000 0.801 177 E CB -0.198 29.530 29.700 0.047 0.000 0.746 177 E HN 0.410 nan 8.360 nan 0.000 0.450 178 L N 0.607 121.839 121.223 0.014 0.000 1.989 178 L HA -0.255 4.085 4.340 -0.001 0.000 0.211 178 L C 2.340 179.200 176.870 -0.017 0.000 1.071 178 L CA 1.832 56.666 54.840 -0.011 0.000 0.749 178 L CB -0.625 41.437 42.059 0.004 0.000 0.890 178 L HN 0.212 nan 8.230 nan 0.000 0.431 179 N N -0.498 118.204 118.700 0.003 0.000 2.061 179 N HA -0.245 4.495 4.740 -0.001 0.000 0.193 179 N C 1.831 177.347 175.510 0.010 0.000 1.030 179 N CA 1.366 54.419 53.050 0.005 0.000 0.856 179 N CB -0.103 38.386 38.487 0.004 0.000 1.023 179 N HN 0.354 nan 8.380 nan 0.000 0.424 180 Q N -0.232 119.576 119.800 0.014 0.000 2.291 180 Q HA 0.018 4.358 4.340 -0.001 0.000 0.205 180 Q C 1.245 177.264 176.000 0.032 0.000 0.970 180 Q CA 0.627 56.444 55.803 0.022 0.000 0.876 180 Q CB 0.082 28.834 28.738 0.024 0.000 0.935 180 Q HN 0.439 nan 8.270 nan 0.000 0.455 181 L N -0.802 120.436 121.223 0.024 0.000 2.591 181 L HA 0.147 4.487 4.340 -0.001 0.000 0.228 181 L C 0.963 177.881 176.870 0.080 0.000 1.133 181 L CA 0.297 55.166 54.840 0.048 0.000 0.880 181 L CB 0.044 42.119 42.059 0.027 0.000 1.033 181 L HN 0.354 nan 8.230 nan 0.000 0.450 182 G N 1.025 109.851 108.800 0.043 0.000 2.137 182 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.237 182 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.237 182 G C 0.043 174.923 174.900 -0.034 0.000 1.002 182 G CA -0.232 44.911 45.100 0.072 0.000 0.702 182 G HN 0.309 nan 8.290 nan 0.000 0.515 183 I N 2.305 122.784 120.570 -0.152 0.000 2.354 183 I HA 0.326 4.496 4.170 -0.001 0.000 0.286 183 I C -1.854 174.235 176.117 -0.047 0.000 1.007 183 I CA -2.504 58.668 61.300 -0.213 0.000 1.167 183 I CB 1.888 39.698 38.000 -0.316 0.000 1.320 183 I HN -0.099 nan 8.210 nan 0.000 0.458 184 P HA 0.169 nan 4.420 nan 0.000 0.275 184 P C -0.761 176.584 177.300 0.075 0.000 1.228 184 P CA -0.180 62.954 63.100 0.056 0.000 0.786 184 P CB 1.599 33.353 31.700 0.091 0.000 0.927 185 V N 4.496 124.460 119.914 0.084 0.000 2.444 185 V HA 0.405 4.525 4.120 -0.001 0.000 0.294 185 V C 0.360 176.520 176.094 0.110 0.000 1.022 185 V CA -0.512 61.864 62.300 0.126 0.000 0.850 185 V CB 1.494 33.403 31.823 0.144 0.000 0.992 185 V HN 0.395 nan 8.190 nan 0.000 0.426 186 I N 4.709 125.359 120.570 0.133 0.000 2.404 186 I HA 0.607 4.777 4.170 -0.001 0.000 0.293 186 I C -0.625 175.566 176.117 0.124 0.000 0.992 186 I CA -0.881 60.469 61.300 0.083 0.000 1.149 186 I CB 2.132 40.175 38.000 0.072 0.000 1.315 186 I HN 0.399 nan 8.210 nan 0.000 0.446 187 V N 5.352 125.304 119.914 0.062 0.000 2.540 187 V HA 0.770 4.890 4.120 -0.001 0.000 0.302 187 V C 0.001 176.091 176.094 -0.006 0.000 1.035 187 V CA -0.221 62.132 62.300 0.088 0.000 0.873 187 V CB 1.847 33.708 31.823 0.062 0.000 0.992 187 V HN 0.820 nan 8.190 nan 0.000 0.428 188 G N 6.469 115.272 108.800 0.004 0.000 2.322 188 G HA2 0.610 4.570 3.960 -0.001 0.000 0.309 188 G HA3 0.610 4.570 3.960 -0.001 0.000 0.309 188 G C -0.738 173.995 174.900 -0.278 0.000 1.121 188 G CA -0.507 44.480 45.100 -0.189 0.000 0.886 188 G HN 0.743 nan 8.290 nan 0.000 0.447 189 I N 2.368 122.677 120.570 -0.434 0.000 2.328 189 I HA 0.297 4.466 4.170 -0.001 0.000 0.287 189 I C -0.900 174.976 176.117 -0.402 0.000 1.012 189 I CA -0.618 60.509 61.300 -0.289 0.000 1.195 189 I CB 0.913 38.772 38.000 -0.235 0.000 1.350 189 I HN 0.380 nan 8.210 nan 0.000 0.464 190 Y N 4.039 124.328 120.300 -0.018 0.000 2.429 190 Y HA 0.689 5.239 4.550 -0.001 0.000 0.342 190 Y C 1.001 176.863 175.900 -0.064 0.000 1.004 190 Y CA -0.338 57.725 58.100 -0.061 0.000 1.075 190 Y CB 1.871 40.291 38.460 -0.068 0.000 1.214 190 Y HN 0.804 nan 8.280 nan 0.000 0.455 191 G N 1.198 110.020 108.800 0.036 0.000 2.564 191 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.273 191 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.273 191 G C -0.550 174.382 174.900 0.054 0.000 1.242 191 G CA -0.185 44.926 45.100 0.018 0.000 0.951 191 G HN 0.637 nan 8.290 nan 0.000 0.564 192 T N 1.590 116.177 114.554 0.056 0.000 2.744 192 T HA 0.567 4.917 4.350 -0.001 0.000 0.291 192 T C 0.044 174.785 174.700 0.069 0.000 0.957 192 T CA -0.074 62.066 62.100 0.067 0.000 1.002 192 T CB 0.782 69.683 68.868 0.056 0.000 0.919 192 T HN 0.610 nan 8.240 nan 0.000 0.468 193 N N 4.306 123.055 118.700 0.082 0.000 2.841 193 N HA 0.309 5.048 4.740 -0.001 0.000 0.257 193 N C -2.846 172.698 175.510 0.056 0.000 1.396 193 N CA -1.210 51.885 53.050 0.074 0.000 0.823 193 N CB 1.661 40.208 38.487 0.099 0.000 1.162 193 N HN 0.349 nan 8.380 nan 0.000 0.503 194 P HA 0.434 nan 4.420 nan 0.000 0.293 194 P C 0.308 177.601 177.300 -0.012 0.000 1.291 194 P CA 0.006 63.118 63.100 0.021 0.000 0.867 194 P CB 1.959 33.675 31.700 0.028 0.000 1.074 195 A N 3.079 125.913 122.820 0.024 0.000 5.093 195 A HA -0.300 4.020 4.320 -0.001 0.000 0.329 195 A C 1.988 179.617 177.584 0.075 0.000 1.836 195 A CA 2.285 54.354 52.037 0.053 0.000 0.707 195 A CB -2.781 16.212 19.000 -0.012 0.000 1.389 195 A HN 0.621 nan 8.150 nan 0.000 0.383 196 G N -1.332 107.393 108.800 -0.125 0.000 2.469 196 G HA2 0.087 4.046 3.960 -0.001 0.000 0.219 196 G HA3 0.087 4.046 3.960 -0.001 0.000 0.219 196 G C 1.832 176.871 174.900 0.232 0.000 1.150 196 G CA 2.177 47.181 45.100 -0.159 0.000 0.763 196 G HN 1.980 nan 8.290 nan 0.000 0.561 197 G N 0.630 109.447 108.800 0.029 0.000 2.408 197 G HA2 0.102 4.062 3.960 -0.001 0.000 0.217 197 G HA3 0.102 4.062 3.960 -0.001 0.000 0.217 197 G C 1.755 176.743 174.900 0.146 0.000 1.150 197 G CA 1.306 46.513 45.100 0.178 0.000 0.776 197 G HN 0.600 nan 8.290 nan 0.000 0.542 198 G N -0.019 108.812 108.800 0.052 0.000 2.446 198 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 198 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 198 G C 1.602 176.369 174.900 -0.223 0.000 1.168 198 G CA 0.859 45.923 45.100 -0.060 0.000 0.771 198 G HN 0.435 nan 8.290 nan 0.000 0.551 199 Y N -0.008 120.097 120.300 -0.326 0.000 2.293 199 Y HA -0.010 4.539 4.550 -0.002 0.000 0.291 199 Y C 2.740 178.246 175.900 -0.657 0.000 1.137 199 Y CA 1.467 59.094 58.100 -0.788 0.000 1.202 199 Y CB -0.269 37.186 38.460 -1.676 0.000 0.990 199 Y HN 0.346 nan 8.280 nan 0.000 0.537 200 H N -1.660 117.397 119.070 -0.022 0.000 2.456 200 H HA -0.130 4.425 4.556 -0.001 0.000 0.296 200 H C 2.271 177.525 175.328 -0.123 0.000 1.079 200 H CA 1.497 57.592 56.048 0.078 0.000 1.322 200 H CB 0.161 30.055 29.762 0.219 0.000 1.388 200 H HN 0.166 nan 8.280 nan 0.000 0.538 201 S N -0.171 115.537 115.700 0.013 0.000 2.371 201 S HA -0.082 4.388 4.470 -0.001 0.000 0.224 201 S C 1.937 176.469 174.600 -0.114 0.000 1.029 201 S CA 0.973 59.156 58.200 -0.029 0.000 0.978 201 S CB 0.036 63.245 63.200 0.016 0.000 0.833 201 S HN 0.267 nan 8.310 nan 0.000 0.466 202 I N 1.768 122.193 120.570 -0.242 0.000 3.228 202 I HA -0.002 4.168 4.170 -0.001 0.000 0.279 202 I C 2.114 178.061 176.117 -0.284 0.000 1.221 202 I CA 0.509 61.609 61.300 -0.334 0.000 1.458 202 I CB -0.243 37.441 38.000 -0.527 0.000 1.105 202 I HN 0.262 nan 8.210 nan 0.000 0.445 203 S N 0.383 115.947 115.700 -0.226 0.000 2.402 203 S HA 0.133 4.603 4.470 -0.001 0.000 0.229 203 S C -1.275 173.276 174.600 -0.082 0.000 1.021 203 S CA -0.228 57.891 58.200 -0.135 0.000 0.974 203 S CB -1.970 61.209 63.200 -0.035 0.000 0.800 203 S HN 0.254 nan 8.310 nan 0.000 0.484 204 P HA 0.223 nan 4.420 nan 0.000 0.272 204 P C 0.693 177.970 177.300 -0.038 0.000 1.254 204 P CA 0.071 63.158 63.100 -0.022 0.000 0.795 204 P CB 0.266 31.965 31.700 -0.002 0.000 1.022 205 T N -0.906 113.644 114.554 -0.007 0.000 2.809 205 T HA 0.082 4.431 4.350 -0.001 0.000 0.260 205 T C 0.831 175.513 174.700 -0.030 0.000 1.039 205 T CA 1.106 63.200 62.100 -0.010 0.000 1.141 205 T CB -0.086 68.797 68.868 0.026 0.000 0.869 205 T HN 0.219 nan 8.240 nan 0.000 0.437 206 I N 1.859 122.399 120.570 -0.050 0.000 2.436 206 I HA 0.423 4.593 4.170 -0.001 0.000 0.289 206 I C -1.201 174.842 176.117 -0.123 0.000 1.010 206 I CA -1.178 60.038 61.300 -0.139 0.000 1.098 206 I CB 1.663 39.493 38.000 -0.283 0.000 1.266 206 I HN 0.066 nan 8.210 nan 0.000 0.434 207 L N 7.024 128.192 121.223 -0.092 0.000 2.298 207 L HA 0.483 4.822 4.340 -0.001 0.000 0.284 207 L C -0.289 176.550 176.870 -0.052 0.000 1.013 207 L CA -0.122 54.705 54.840 -0.023 0.000 0.824 207 L CB 1.131 43.263 42.059 0.122 0.000 1.221 207 L HN 0.255 nan 8.230 nan 0.000 0.418 208 I N 3.200 123.700 120.570 -0.117 0.000 2.389 208 I HA 0.661 4.831 4.170 -0.001 0.000 0.288 208 I C 0.226 176.186 176.117 -0.261 0.000 0.999 208 I CA -0.650 60.583 61.300 -0.112 0.000 1.129 208 I CB 1.433 39.391 38.000 -0.069 0.000 1.288 208 I HN 0.595 nan 8.210 nan 0.000 0.444 209 A N 6.033 128.636 122.820 -0.362 0.000 2.340 209 A HA 0.472 4.792 4.320 -0.001 0.000 0.331 209 A C -0.376 177.012 177.584 -0.327 0.000 1.140 209 A CA -0.552 51.126 52.037 -0.599 0.000 0.801 209 A CB 0.964 19.107 19.000 -1.429 0.000 1.234 209 A HN 0.781 nan 8.150 nan 0.000 0.469 210 H N 1.479 120.320 119.070 -0.383 0.000 2.732 210 H HA 0.039 4.595 4.556 -0.001 0.000 0.351 210 H C 1.409 176.650 175.328 -0.145 0.000 1.090 210 H CA 0.916 56.850 56.048 -0.190 0.000 1.431 210 H CB 1.194 30.886 29.762 -0.116 0.000 1.447 210 H HN 0.886 nan 8.280 nan 0.000 0.582 211 Q N 2.725 122.377 119.800 -0.246 0.000 2.234 211 Q HA -0.151 4.189 4.340 -0.001 0.000 0.206 211 Q C -0.004 176.063 176.000 0.112 0.000 0.980 211 Q CA 1.845 57.595 55.803 -0.088 0.000 0.869 211 Q CB 0.211 28.852 28.738 -0.160 0.000 0.912 211 Q HN 0.550 nan 8.270 nan 0.000 0.436 212 D N 0.458 121.083 120.400 0.375 0.000 2.369 212 D HA 0.275 4.915 4.640 -0.001 0.000 0.211 212 D C 0.076 176.475 176.300 0.165 0.000 1.077 212 D CA 0.390 54.538 54.000 0.246 0.000 0.842 212 D CB 0.467 41.405 40.800 0.230 0.000 0.947 212 D HN 0.387 nan 8.370 nan 0.000 0.509 213 A N 1.193 124.111 122.820 0.163 0.000 2.272 213 A HA 0.547 4.867 4.320 -0.001 0.000 0.275 213 A C 0.319 178.010 177.584 0.177 0.000 1.096 213 A CA -0.413 51.677 52.037 0.089 0.000 0.822 213 A CB 0.374 19.365 19.000 -0.014 0.000 1.088 213 A HN 0.276 nan 8.150 nan 0.000 0.495 214 N N -1.627 117.195 118.700 0.203 0.000 2.494 214 N HA 0.633 5.373 4.740 -0.001 0.000 0.270 214 N C -0.953 174.739 175.510 0.303 0.000 1.285 214 N CA -0.663 52.576 53.050 0.315 0.000 0.812 214 N CB 1.325 39.932 38.487 0.200 0.000 1.557 214 N HN 0.808 nan 8.380 nan 0.000 0.487 215 M N -0.855 118.951 119.600 0.344 0.000 2.446 215 M HA 0.956 5.436 4.480 -0.001 0.000 0.294 215 M C -1.827 174.562 176.300 0.148 0.000 1.158 215 M CA -0.827 54.581 55.300 0.181 0.000 0.899 215 M CB 2.428 35.102 32.600 0.123 0.000 1.687 215 M HN 0.810 nan 8.290 nan 0.000 0.455 216 A N 2.176 125.040 122.820 0.074 0.000 2.604 216 A HA 0.644 4.964 4.320 -0.001 0.000 0.295 216 A C 0.148 177.746 177.584 0.024 0.000 1.067 216 A CA -0.740 51.343 52.037 0.078 0.000 0.683 216 A CB 1.288 20.339 19.000 0.085 0.000 1.281 216 A HN 0.766 nan 8.150 nan 0.000 0.407 217 V N 0.661 120.592 119.914 0.028 0.000 2.287 217 V HA 0.093 4.212 4.120 -0.001 0.000 0.248 217 V C 1.396 177.532 176.094 0.070 0.000 1.053 217 V CA 2.328 64.660 62.300 0.054 0.000 1.027 217 V CB -0.658 31.204 31.823 0.064 0.000 0.646 217 V HN 1.313 nan 8.190 nan 0.000 0.447 218 G N -1.510 107.323 108.800 0.056 0.000 2.701 218 G HA2 0.609 4.569 3.960 -0.001 0.000 0.300 218 G HA3 0.609 4.569 3.960 -0.001 0.000 0.300 218 G C -0.372 174.556 174.900 0.048 0.000 1.410 218 G CA 0.099 45.231 45.100 0.052 0.000 1.014 218 G HN 0.425 nan 8.290 nan 0.000 0.509 219 G N -0.315 108.516 108.800 0.051 0.000 2.532 219 G HA2 0.569 4.528 3.960 -0.001 0.000 0.291 219 G HA3 0.569 4.528 3.960 -0.001 0.000 0.291 219 G C 1.324 176.250 174.900 0.043 0.000 1.349 219 G CA 0.446 45.576 45.100 0.051 0.000 1.038 219 G HN 1.234 nan 8.290 nan 0.000 0.518 220 A N -0.865 121.978 122.820 0.040 0.000 2.019 220 A HA 0.247 4.566 4.320 -0.001 0.000 0.219 220 A C 1.776 179.375 177.584 0.025 0.000 1.164 220 A CA 1.605 53.659 52.037 0.029 0.000 0.644 220 A CB -1.020 17.996 19.000 0.026 0.000 0.805 220 A HN 1.124 nan 8.150 nan 0.000 0.449 238 E N 0.331 120.525 120.200 -0.011 0.000 2.106 238 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 238 E C 2.470 179.064 176.600 -0.010 0.000 0.984 238 E CA 1.774 58.169 56.400 -0.009 0.000 0.806 238 E CB -0.437 29.259 29.700 -0.007 0.000 0.750 238 E HN 0.833 nan 8.360 nan 0.000 0.458 239 Q N 0.988 120.782 119.800 -0.011 0.000 2.170 239 Q HA -0.069 4.271 4.340 -0.001 0.000 0.203 239 Q C 2.220 178.212 176.000 -0.013 0.000 0.976 239 Q CA 1.411 57.208 55.803 -0.011 0.000 0.858 239 Q CB -0.876 27.855 28.738 -0.011 0.000 0.907 239 Q HN 0.365 nan 8.270 nan 0.000 0.433 240 I N -0.192 120.368 120.570 -0.016 0.000 2.252 240 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 240 I C 2.394 178.500 176.117 -0.018 0.000 1.102 240 I CA 1.204 62.492 61.300 -0.020 0.000 1.385 240 I CB -0.187 37.797 38.000 -0.026 0.000 1.064 240 I HN 0.335 nan 8.210 nan 0.000 0.414 241 I N 0.842 121.403 120.570 -0.015 0.000 2.226 241 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 241 I C 2.783 178.894 176.117 -0.009 0.000 1.100 241 I CA 1.388 62.681 61.300 -0.012 0.000 1.374 241 I CB -0.510 37.484 38.000 -0.009 0.000 1.057 241 I HN 0.173 nan 8.210 nan 0.000 0.413 242 A N 0.672 123.487 122.820 -0.009 0.000 1.933 242 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 242 A C 2.520 180.099 177.584 -0.008 0.000 1.175 242 A CA 1.798 53.830 52.037 -0.007 0.000 0.628 242 A CB -0.744 18.252 19.000 -0.007 0.000 0.814 242 A HN 0.434 nan 8.150 nan 0.000 0.444 243 A N -1.043 121.771 122.820 -0.009 0.000 1.897 243 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 243 A C 2.140 179.718 177.584 -0.009 0.000 1.181 243 A CA 1.917 53.948 52.037 -0.010 0.000 0.620 243 A CB -0.436 18.556 19.000 -0.012 0.000 0.821 243 A HN 0.527 nan 8.150 nan 0.000 0.443 244 Q N 0.257 120.051 119.800 -0.010 0.000 2.119 244 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 244 Q C 1.739 177.736 176.000 -0.005 0.000 0.972 244 Q CA 1.924 57.722 55.803 -0.008 0.000 0.847 244 Q CB -0.594 28.137 28.738 -0.011 0.000 0.903 244 Q HN 0.794 nan 8.270 nan 0.000 0.433 245 I N -1.523 119.045 120.570 -0.005 0.000 2.353 245 I HA 0.044 4.213 4.170 -0.001 0.000 0.248 245 I C 2.160 178.276 176.117 -0.002 0.000 1.119 245 I CA 1.858 63.157 61.300 -0.003 0.000 1.417 245 I CB -1.302 36.696 38.000 -0.003 0.000 1.078 245 I HN 0.159 nan 8.210 nan 0.000 0.421 246 E N 2.022 122.220 120.200 -0.003 0.000 2.047 246 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 246 E C 1.896 178.495 176.600 -0.002 0.000 0.987 246 E CA 1.733 58.131 56.400 -0.003 0.000 0.799 246 E CB -1.348 28.349 29.700 -0.004 0.000 0.752 246 E HN 0.681 nan 8.360 nan 0.000 0.449 247 N N 0.373 119.071 118.700 -0.002 0.000 2.223 247 N HA -0.083 4.657 4.740 -0.001 0.000 0.185 247 N C 1.937 177.448 175.510 0.001 0.000 1.016 247 N CA 1.463 54.512 53.050 -0.001 0.000 0.863 247 N CB -0.262 38.224 38.487 -0.002 0.000 0.983 247 N HN 0.386 nan 8.380 nan 0.000 0.429 248 S N -0.093 115.607 115.700 0.001 0.000 2.428 248 S HA -0.042 4.428 4.470 -0.001 0.000 0.230 248 S C 1.998 176.600 174.600 0.004 0.000 1.014 248 S CA 1.454 59.656 58.200 0.003 0.000 0.957 248 S CB -0.064 63.139 63.200 0.004 0.000 0.784 248 S HN 0.485 nan 8.310 nan 0.000 0.499 249 K N 0.479 120.880 120.400 0.002 0.000 2.243 249 K HA 0.297 4.617 4.320 -0.001 0.000 0.201 249 K C 1.688 178.289 176.600 0.002 0.000 1.051 249 K CA 0.888 57.176 56.287 0.002 0.000 0.970 249 K CB -0.849 31.651 32.500 0.001 0.000 0.755 249 K HN 0.377 nan 8.250 nan 0.000 0.465 250 L N 0.042 121.265 121.223 0.001 0.000 2.376 250 L HA 0.104 4.443 4.340 -0.001 0.000 0.219 250 L C 2.067 178.938 176.870 0.001 0.000 1.133 250 L CA 1.926 56.766 54.840 0.000 0.000 0.816 250 L CB -0.651 41.408 42.059 -0.001 0.000 0.933 250 L HN 0.632 nan 8.230 nan 0.000 0.449 251 K N -1.308 119.094 120.400 0.004 0.000 3.160 251 K HA -0.174 4.146 4.320 -0.001 0.000 0.280 251 K C 0.432 177.035 176.600 0.006 0.000 1.154 251 K CA 0.955 57.245 56.287 0.006 0.000 0.822 251 K CB -3.333 nan 32.500 nan 0.000 1.239 251 K HN 0.113 nan 8.250 nan 0.000 0.489 252 V N 2.062 121.979 119.914 0.004 0.000 2.509 252 V HA 0.227 4.347 4.120 -0.001 0.000 0.297 252 V C -0.583 175.515 176.094 0.008 0.000 1.014 252 V CA -0.528 61.774 62.300 0.003 0.000 1.127 252 V CB 0.397 32.221 31.823 0.001 0.000 0.925 252 V HN 0.678 nan 8.190 nan 0.000 0.480 253 P HA 0.307 nan 4.420 nan 0.000 0.275 253 P C -0.261 177.050 177.300 0.019 0.000 1.228 253 P CA -0.334 62.775 63.100 0.016 0.000 0.786 253 P CB 0.759 32.467 31.700 0.014 0.000 0.927 254 A N 4.768 127.607 122.820 0.031 0.000 2.567 254 A HA 0.206 4.526 4.320 -0.001 0.000 0.240 254 A C -1.908 175.698 177.584 0.037 0.000 1.053 254 A CA -0.623 51.437 52.037 0.039 0.000 0.755 254 A CB -1.526 17.506 19.000 0.053 0.000 0.978 254 A HN 0.420 nan 8.150 nan 0.000 0.507 255 P HA 0.254 nan 4.420 nan 0.000 0.267 255 P C 0.967 178.290 177.300 0.039 0.000 1.200 255 P CA 1.645 64.754 63.100 0.015 0.000 0.772 255 P CB 0.486 32.197 31.700 0.019 0.000 0.855 256 G N 1.075 109.863 108.800 -0.021 0.000 2.221 256 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.265 256 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.265 256 G C 0.411 175.389 174.900 0.131 0.000 1.041 256 G CA 0.060 45.165 45.100 0.008 0.000 0.807 256 G HN 0.548 nan 8.290 nan 0.000 0.502 257 S N -1.613 114.133 115.700 0.076 0.000 2.641 257 S HA 0.417 4.887 4.470 -0.001 0.000 0.261 257 S C 1.942 176.667 174.600 0.208 0.000 1.257 257 S CA -0.235 58.069 58.200 0.173 0.000 0.983 257 S CB 1.528 64.793 63.200 0.109 0.000 0.990 257 S HN 0.464 nan 8.310 nan 0.000 0.572 258 V N 3.111 123.211 119.914 0.310 0.000 2.324 258 V HA -0.150 3.969 4.120 -0.001 0.000 0.250 258 V C -1.098 175.117 176.094 0.202 0.000 1.060 258 V CA 1.902 64.417 62.300 0.358 0.000 1.042 258 V CB -1.736 30.230 31.823 0.239 0.000 0.650 258 V HN 0.685 nan 8.190 nan 0.000 0.450 259 P HA -0.128 nan 4.420 nan 0.000 0.221 259 P C 1.483 178.757 177.300 -0.043 0.000 1.145 259 P CA 1.350 64.476 63.100 0.042 0.000 0.795 259 P CB 0.022 31.731 31.700 0.014 0.000 0.775 260 I N -2.037 118.461 120.570 -0.120 0.000 2.522 260 I HA -0.061 4.108 4.170 -0.001 0.000 0.240 260 I C 2.081 177.944 176.117 -0.422 0.000 1.078 260 I CA 1.390 62.502 61.300 -0.314 0.000 1.422 260 I CB -1.685 36.045 38.000 -0.451 0.000 1.188 260 I HN 0.064 nan 8.210 nan 0.000 0.442 261 H N -1.130 117.735 119.070 -0.342 0.000 2.551 261 H HA -0.025 4.531 4.556 0.000 0.000 0.266 261 H C 1.633 176.714 175.328 -0.412 0.000 0.977 261 H CA 0.648 56.298 56.048 -0.663 0.000 1.163 261 H CB 0.324 29.288 29.762 -1.330 0.000 1.381 261 H HN 0.316 nan 8.280 nan 0.000 0.581 262 Y N 1.178 121.436 120.300 -0.071 0.000 2.265 262 Y HA -0.001 4.549 4.550 -0.001 0.000 0.290 262 Y C 1.547 177.428 175.900 -0.031 0.000 1.137 262 Y CA 0.916 59.055 58.100 0.065 0.000 1.147 262 Y CB 0.199 38.770 38.460 0.184 0.000 1.104 262 Y HN -0.035 nan 8.280 nan 0.000 0.514 263 D N -0.235 120.161 120.400 -0.006 0.000 2.178 263 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 263 D C 1.790 177.980 176.300 -0.182 0.000 0.974 263 D CA 1.523 55.459 54.000 -0.108 0.000 0.841 263 D CB 0.197 41.002 40.800 0.009 0.000 0.953 263 D HN 0.352 nan 8.370 nan 0.000 0.478 264 E N -0.402 119.674 120.200 -0.207 0.000 2.083 264 E HA -0.005 4.345 4.350 -0.001 0.000 0.193 264 E C 2.347 178.761 176.600 -0.310 0.000 0.950 264 E CA 1.275 57.534 56.400 -0.236 0.000 0.849 264 E CB -0.754 28.803 29.700 -0.239 0.000 0.827 264 E HN 0.355 nan 8.360 nan 0.000 0.465 265 T N -1.931 112.361 114.554 -0.437 0.000 3.043 265 T HA 0.143 4.492 4.350 -0.001 0.000 0.263 265 T C 1.572 175.938 174.700 -0.556 0.000 1.094 265 T CA 0.980 62.665 62.100 -0.691 0.000 1.127 265 T CB -0.114 67.993 68.868 -1.269 0.000 0.905 265 T HN 0.324 nan 8.240 nan 0.000 0.490 266 G N 0.944 109.536 108.800 -0.348 0.000 2.203 266 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.263 266 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.263 266 G C 0.447 175.380 174.900 0.055 0.000 1.012 266 G CA 0.395 45.388 45.100 -0.180 0.000 0.749 266 G HN 0.455 nan 8.290 nan 0.000 0.512 267 F N -0.321 119.587 119.950 -0.070 0.000 2.206 267 F HA 0.314 4.842 4.527 0.002 0.000 0.298 267 F C 1.641 177.476 175.800 0.059 0.000 1.090 267 F CA -0.481 57.466 58.000 -0.089 0.000 1.323 267 F CB -0.625 38.217 39.000 -0.262 0.000 1.028 267 F HN 0.155 nan 8.300 nan 0.000 0.492 268 F N 1.484 121.577 119.950 0.238 0.000 2.502 268 F HA 0.174 4.700 4.527 -0.002 0.000 0.371 268 F C 1.745 177.683 175.800 0.230 0.000 1.083 268 F CA -0.658 57.461 58.000 0.199 0.000 1.174 268 F CB -0.074 39.075 39.000 0.249 0.000 1.096 268 F HN -0.079 nan 8.300 nan 0.000 0.545 269 R N 1.568 122.263 120.500 0.325 0.000 2.073 269 R HA 0.027 4.367 4.340 -0.001 0.000 0.229 269 R C -0.156 176.333 176.300 0.314 0.000 1.120 269 R CA 1.162 57.411 56.100 0.248 0.000 0.967 269 R CB 0.365 30.734 30.300 0.115 0.000 0.862 269 R HN 0.705 nan 8.270 nan 0.000 0.436 270 E N -0.612 119.725 120.200 0.229 0.000 2.367 270 E HA 0.356 4.706 4.350 -0.001 0.000 0.273 270 E C -1.713 174.845 176.600 -0.072 0.000 0.903 270 E CA -0.920 55.542 56.400 0.102 0.000 0.764 270 E CB 3.060 32.858 29.700 0.163 0.000 1.252 270 E HN -0.141 nan 8.360 nan 0.000 0.446 271 V N 2.239 121.937 119.914 -0.360 0.000 2.588 271 V HA 0.436 4.556 4.120 -0.001 0.000 0.304 271 V C -1.386 174.406 176.094 -0.503 0.000 1.042 271 V CA -0.754 61.317 62.300 -0.382 0.000 0.877 271 V CB 1.009 32.530 31.823 -0.503 0.000 0.996 271 V HN 0.577 nan 8.190 nan 0.000 0.425 272 Y N 1.669 121.824 120.300 -0.242 0.000 2.562 272 Y HA 0.364 4.913 4.550 -0.001 0.000 0.343 272 Y C 1.228 176.943 175.900 -0.307 0.000 1.025 272 Y CA -0.691 57.281 58.100 -0.214 0.000 1.082 272 Y CB 2.136 40.502 38.460 -0.156 0.000 1.264 272 Y HN 0.566 nan 8.280 nan 0.000 0.478 273 Q N 0.918 120.662 119.800 -0.094 0.000 2.297 273 Q HA -0.038 4.302 4.340 -0.001 0.000 0.204 273 Q C -0.449 175.357 176.000 -0.324 0.000 0.962 273 Q CA 1.038 56.724 55.803 -0.196 0.000 0.879 273 Q CB 0.022 28.707 28.738 -0.087 0.000 0.947 273 Q HN 0.743 nan 8.270 nan 0.000 0.462 274 N N -2.391 116.178 118.700 -0.219 0.000 3.106 274 N HA 0.093 4.833 4.740 -0.001 0.000 0.253 274 N C -0.868 174.729 175.510 0.146 0.000 1.506 274 N CA -0.570 52.452 53.050 -0.045 0.000 0.876 274 N CB 0.427 38.941 38.487 0.044 0.000 1.452 274 N HN -0.362 nan 8.380 nan 0.000 0.542 275 D N -0.202 120.381 120.400 0.304 0.000 2.144 275 D HA 0.002 4.641 4.640 -0.001 0.000 0.199 275 D C 1.461 177.871 176.300 0.184 0.000 0.984 275 D CA 1.203 55.431 54.000 0.381 0.000 0.834 275 D CB -0.061 40.838 40.800 0.165 0.000 0.955 275 D HN 0.477 nan 8.370 nan 0.000 0.465 276 L N 0.075 121.337 121.223 0.066 0.000 2.141 276 L HA -0.004 4.336 4.340 -0.001 0.000 0.209 276 L C 2.486 179.309 176.870 -0.077 0.000 1.094 276 L CA 1.113 55.948 54.840 -0.008 0.000 0.763 276 L CB -0.654 41.395 42.059 -0.017 0.000 0.908 276 L HN 0.110 nan 8.230 nan 0.000 0.437 277 G N -0.177 108.577 108.800 -0.076 0.000 2.446 277 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 277 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 277 G C 1.599 176.085 174.900 -0.690 0.000 1.168 277 G CA 0.938 45.904 45.100 -0.222 0.000 0.771 277 G HN 0.174 nan 8.290 nan 0.000 0.551 278 V N 1.561 121.269 119.914 -0.343 0.000 2.295 278 V HA -0.164 3.956 4.120 -0.001 0.000 0.246 278 V C 2.827 178.750 176.094 -0.286 0.000 1.049 278 V CA 1.233 63.324 62.300 -0.348 0.000 1.024 278 V CB -0.359 31.342 31.823 -0.203 0.000 0.648 278 V HN 0.284 nan 8.190 nan 0.000 0.447 279 I N 0.339 120.836 120.570 -0.121 0.000 2.163 279 I HA -0.232 3.937 4.170 -0.001 0.000 0.243 279 I C 2.319 178.337 176.117 -0.165 0.000 1.085 279 I CA 1.827 63.075 61.300 -0.086 0.000 1.347 279 I CB -1.291 36.684 38.000 -0.041 0.000 1.044 279 I HN 0.371 nan 8.210 nan 0.000 0.408 280 D N 0.792 121.043 120.400 -0.247 0.000 2.144 280 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 280 D C 2.245 178.387 176.300 -0.263 0.000 0.984 280 D CA 1.470 55.330 54.000 -0.233 0.000 0.834 280 D CB -0.429 40.245 40.800 -0.209 0.000 0.955 280 D HN 0.386 nan 8.370 nan 0.000 0.465 281 G N 0.995 109.497 108.800 -0.496 0.000 2.421 281 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 281 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 281 G C 1.821 176.736 174.900 0.025 0.000 1.171 281 G CA 0.323 45.294 45.100 -0.215 0.000 0.775 281 G HN 0.260 nan 8.290 nan 0.000 0.543 282 I N 0.476 121.013 120.570 -0.055 0.000 2.163 282 I HA -0.213 3.957 4.170 -0.001 0.000 0.243 282 I C 2.837 178.956 176.117 0.003 0.000 1.085 282 I CA 1.408 62.715 61.300 0.013 0.000 1.347 282 I CB -0.198 37.797 38.000 -0.008 0.000 1.044 282 I HN 0.130 nan 8.210 nan 0.000 0.408 283 K N 0.680 121.045 120.400 -0.058 0.000 2.063 283 K HA -0.264 4.055 4.320 -0.001 0.000 0.208 283 K C 2.177 178.696 176.600 -0.135 0.000 1.048 283 K CA 1.531 57.770 56.287 -0.080 0.000 0.928 283 K CB -0.209 32.238 32.500 -0.090 0.000 0.713 283 K HN 0.253 nan 8.250 nan 0.000 0.442 284 K N 0.292 120.582 120.400 -0.183 0.000 2.026 284 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 284 K C 1.938 178.054 176.600 -0.806 0.000 1.048 284 K CA 1.521 57.558 56.287 -0.417 0.000 0.929 284 K CB -0.124 32.150 32.500 -0.378 0.000 0.713 284 K HN 0.104 nan 8.250 nan 0.000 0.439 285 Y N 0.856 120.864 120.300 -0.485 0.000 2.293 285 Y HA -0.096 4.453 4.550 -0.002 0.000 0.291 285 Y C 2.025 177.807 175.900 -0.198 0.000 1.137 285 Y CA 1.055 58.904 58.100 -0.419 0.000 1.202 285 Y CB -0.051 38.344 38.460 -0.109 0.000 0.990 285 Y HN 0.038 nan 8.280 nan 0.000 0.537 286 I N -0.545 120.019 120.570 -0.010 0.000 2.286 286 I HA -0.330 3.840 4.170 -0.001 0.000 0.248 286 I C 2.535 178.650 176.117 -0.004 0.000 1.115 286 I CA 1.650 62.963 61.300 0.022 0.000 1.392 286 I CB -0.567 37.443 38.000 0.016 0.000 1.065 286 I HN 0.247 nan 8.210 nan 0.000 0.418 287 S N 0.527 116.170 115.700 -0.096 0.000 2.419 287 S HA -0.215 4.255 4.470 -0.001 0.000 0.235 287 S C 1.943 176.602 174.600 0.098 0.000 1.019 287 S CA 1.073 59.248 58.200 -0.041 0.000 0.982 287 S CB -0.594 62.553 63.200 -0.089 0.000 0.789 287 S HN 0.404 nan 8.310 nan 0.000 0.490 288 Y N 1.739 122.034 120.300 -0.008 0.000 2.516 288 Y HA 0.422 4.971 4.550 -0.002 0.000 0.291 288 Y C 1.136 177.054 175.900 0.029 0.000 1.131 288 Y CA -1.140 56.957 58.100 -0.006 0.000 1.281 288 Y CB -0.820 37.630 38.460 -0.017 0.000 1.013 288 Y HN 0.271 nan 8.280 nan 0.000 0.554 289 L N 3.024 124.366 121.223 0.198 0.000 2.417 289 L HA 0.207 4.547 4.340 -0.001 0.000 0.268 289 L C -1.906 175.030 176.870 0.109 0.000 1.158 289 L CA -1.981 52.951 54.840 0.152 0.000 0.819 289 L CB 0.101 42.245 42.059 0.143 0.000 1.112 289 L HN -0.106 nan 8.230 nan 0.000 0.458 290 P HA 0.303 nan 4.420 nan 0.000 0.276 290 P C -1.188 176.155 177.300 0.072 0.000 1.230 290 P CA -0.205 62.924 63.100 0.049 0.000 0.776 290 P CB 1.395 33.117 31.700 0.037 0.000 0.888 291 A N 3.064 125.905 122.820 0.035 0.000 2.555 291 A HA 0.449 4.769 4.320 -0.001 0.000 0.297 291 A C -1.369 176.254 177.584 0.065 0.000 1.060 291 A CA -0.644 51.459 52.037 0.109 0.000 0.710 291 A CB 0.507 19.595 19.000 0.146 0.000 1.282 291 A HN 0.362 nan 8.150 nan 0.000 0.399 292 Y N 1.846 122.204 120.300 0.097 0.000 2.480 292 Y HA 0.134 4.681 4.550 -0.005 0.000 0.338 292 Y C 1.320 177.287 175.900 0.112 0.000 1.220 292 Y CA 0.892 59.035 58.100 0.071 0.000 1.430 292 Y CB 0.657 39.217 38.460 0.167 0.000 1.311 292 Y HN 0.744 nan 8.280 nan 0.000 0.575 293 N N 3.238 122.083 118.700 0.242 0.000 2.452 293 N HA -0.024 4.715 4.740 -0.001 0.000 0.266 293 N C 0.570 176.256 175.510 0.293 0.000 1.175 293 N CA 0.364 53.545 53.050 0.219 0.000 0.945 293 N CB 0.600 39.180 38.487 0.156 0.000 1.063 293 N HN 0.788 nan 8.380 nan 0.000 0.472 294 L N 2.446 123.831 121.223 0.270 0.000 2.353 294 L HA -0.154 4.185 4.340 -0.001 0.000 0.220 294 L C 1.966 178.968 176.870 0.220 0.000 1.133 294 L CA 0.751 55.758 54.840 0.279 0.000 0.798 294 L CB -0.233 41.958 42.059 0.220 0.000 0.922 294 L HN 0.589 nan 8.230 nan 0.000 0.445 295 E N 0.557 120.873 120.200 0.192 0.000 2.171 295 E HA -0.300 4.050 4.350 -0.001 0.000 0.197 295 E C 1.907 178.586 176.600 0.131 0.000 0.997 295 E CA 1.405 57.905 56.400 0.168 0.000 0.810 295 E CB -0.339 29.444 29.700 0.138 0.000 0.738 295 E HN 0.404 nan 8.360 nan 0.000 0.467 296 F N -0.674 119.250 119.950 -0.042 0.000 2.115 296 F HA -0.202 4.324 4.527 -0.001 0.000 0.300 296 F C 1.456 177.028 175.800 -0.380 0.000 1.092 296 F CA 1.693 59.546 58.000 -0.246 0.000 1.245 296 F CB -0.151 38.630 39.000 -0.365 0.000 0.995 296 F HN 0.081 nan 8.300 nan 0.000 0.481 297 F N -0.468 119.524 119.950 0.069 0.000 2.695 297 F HA 0.231 4.758 4.527 -0.001 0.000 0.303 297 F C 1.077 176.726 175.800 -0.252 0.000 1.091 297 F CA -0.387 57.536 58.000 -0.129 0.000 1.300 297 F CB -0.112 38.764 39.000 -0.206 0.000 1.071 297 F HN -0.436 nan 8.300 nan 0.000 0.578 298 R N 0.605 121.108 120.500 0.005 0.000 2.594 298 R HA 0.187 4.527 4.340 -0.001 0.000 0.272 298 R C 1.034 177.283 176.300 -0.086 0.000 1.074 298 R CA 0.162 56.221 56.100 -0.069 0.000 1.105 298 R CB 1.202 31.522 30.300 0.033 0.000 1.008 298 R HN 0.095 nan 8.270 nan 0.000 0.472 299 V N -2.770 116.962 119.914 -0.304 0.000 3.528 299 V HA 0.291 4.410 4.120 -0.001 0.000 0.294 299 V C -0.015 175.723 176.094 -0.593 0.000 1.404 299 V CA 0.181 62.298 62.300 -0.305 0.000 1.065 299 V CB 0.294 31.856 31.823 -0.435 0.000 0.904 299 V HN 0.600 nan 8.190 nan 0.000 0.435 300 D N -0.680 119.128 120.400 -0.987 0.000 2.653 300 D HA 0.280 4.919 4.640 -0.001 0.000 0.258 300 D C -0.661 175.161 176.300 -0.797 0.000 1.252 300 D CA -0.007 53.411 54.000 -0.970 0.000 0.777 300 D CB 2.296 42.896 40.800 -0.333 0.000 1.339 300 D HN 0.082 nan 8.370 nan 0.000 0.422 301 T N 1.409 115.729 114.554 -0.391 0.000 2.930 301 T HA 0.396 4.746 4.350 -0.001 0.000 0.306 301 T C -2.304 172.369 174.700 -0.046 0.000 1.045 301 T CA -0.792 61.279 62.100 -0.048 0.000 1.134 301 T CB 0.544 69.465 68.868 0.088 0.000 0.961 301 T HN 0.064 nan 8.240 nan 0.000 0.545 302 P HA 0.227 nan 4.420 nan 0.000 0.264 302 P C -0.851 176.470 177.300 0.034 0.000 1.193 302 P CA 0.183 63.295 63.100 0.021 0.000 0.763 302 P CB 0.299 32.028 31.700 0.048 0.000 0.810 303 K N 1.912 122.336 120.400 0.039 0.000 2.468 303 K HA 0.657 4.977 4.320 -0.001 0.000 0.252 303 K C -0.519 176.114 176.600 0.056 0.000 0.932 303 K CA -0.945 55.370 56.287 0.047 0.000 0.794 303 K CB 2.615 35.142 32.500 0.045 0.000 1.241 303 K HN 0.395 nan 8.250 nan 0.000 0.428 304 A N 3.419 126.270 122.820 0.053 0.000 2.406 304 A HA 0.324 4.643 4.320 -0.001 0.000 0.243 304 A C -2.276 175.341 177.584 0.056 0.000 1.082 304 A CA -0.825 51.242 52.037 0.051 0.000 0.786 304 A CB -0.483 18.544 19.000 0.045 0.000 1.029 304 A HN 0.355 nan 8.150 nan 0.000 0.495 305 P HA 0.072 nan 4.420 nan 0.000 0.269 305 P C 0.105 177.437 177.300 0.054 0.000 1.217 305 P CA 0.046 63.183 63.100 0.061 0.000 0.783 305 P CB 0.370 32.096 31.700 0.043 0.000 0.898 306 Q N 0.248 120.084 119.800 0.059 0.000 2.451 306 Q HA 0.118 4.457 4.340 -0.001 0.000 0.206 306 Q C 0.003 176.029 176.000 0.044 0.000 0.947 306 Q CA 0.526 56.359 55.803 0.050 0.000 0.937 306 Q CB -0.063 28.706 28.738 0.053 0.000 1.025 306 Q HN 0.418 nan 8.270 nan 0.000 0.511 307 L N 1.400 122.648 121.223 0.043 0.000 2.401 307 L HA 0.460 4.800 4.340 -0.001 0.000 0.266 307 L C -2.426 174.462 176.870 0.031 0.000 0.991 307 L CA -2.380 52.482 54.840 0.037 0.000 0.818 307 L CB 2.036 44.118 42.059 0.039 0.000 1.321 307 L HN -0.148 nan 8.230 nan 0.000 0.413 308 P HA 0.109 nan 4.420 nan 0.000 0.275 308 P C 0.117 177.429 177.300 0.020 0.000 1.227 308 P CA -0.351 62.767 63.100 0.030 0.000 0.781 308 P CB 1.589 33.312 31.700 0.039 0.000 0.906 309 A N 2.684 125.511 122.820 0.011 0.000 2.019 309 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 309 A C 2.116 179.690 177.584 -0.017 0.000 1.164 309 A CA 1.609 53.632 52.037 -0.023 0.000 0.644 309 A CB -1.057 17.924 19.000 -0.032 0.000 0.805 309 A HN 0.584 nan 8.150 nan 0.000 0.449 310 E N 0.836 121.076 120.200 0.067 0.000 2.160 310 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 310 E C 1.068 177.771 176.600 0.172 0.000 0.991 310 E CA 1.583 58.095 56.400 0.187 0.000 0.810 310 E CB -0.236 29.562 29.700 0.163 0.000 0.742 310 E HN 0.557 nan 8.360 nan 0.000 0.466 311 D N -0.090 120.353 120.400 0.073 0.000 2.221 311 D HA -0.156 4.483 4.640 -0.001 0.000 0.204 311 D C 1.812 178.118 176.300 0.009 0.000 0.982 311 D CA 0.687 54.718 54.000 0.052 0.000 0.857 311 D CB -0.186 40.633 40.800 0.031 0.000 0.934 311 D HN 0.314 nan 8.370 nan 0.000 0.475 312 L N -0.274 120.903 121.223 -0.077 0.000 2.187 312 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 312 L C 2.026 178.783 176.870 -0.189 0.000 1.100 312 L CA 0.889 55.622 54.840 -0.178 0.000 0.765 312 L CB -0.529 41.360 42.059 -0.282 0.000 0.904 312 L HN 0.079 nan 8.230 nan 0.000 0.437 313 Y N -0.730 119.548 120.300 -0.037 0.000 2.483 313 Y HA -0.177 4.372 4.550 -0.000 0.000 0.291 313 Y C 2.679 178.559 175.900 -0.033 0.000 1.143 313 Y CA 1.114 59.194 58.100 -0.034 0.000 1.289 313 Y CB -0.262 38.188 38.460 -0.016 0.000 0.983 313 Y HN 0.120 nan 8.280 nan 0.000 0.556 314 S N -1.029 114.732 115.700 0.101 0.000 2.502 314 S HA 0.083 4.552 4.470 -0.001 0.000 0.228 314 S C 1.909 176.514 174.600 0.009 0.000 1.061 314 S CA 0.143 58.375 58.200 0.054 0.000 0.935 314 S CB 0.033 63.265 63.200 0.055 0.000 0.809 314 S HN 0.287 nan 8.310 nan 0.000 0.510 315 I N 1.614 122.170 120.570 -0.023 0.000 2.202 315 I HA -0.023 4.147 4.170 -0.001 0.000 0.242 315 I C 0.234 176.256 176.117 -0.158 0.000 1.091 315 I CA 1.075 62.348 61.300 -0.045 0.000 1.368 315 I CB -0.088 37.889 38.000 -0.038 0.000 1.058 315 I HN 0.136 nan 8.210 nan 0.000 0.410 316 I N 2.959 123.370 120.570 -0.264 0.000 2.308 316 I HA 0.144 4.314 4.170 -0.001 0.000 0.293 316 I C -2.296 173.677 176.117 -0.239 0.000 1.078 316 I CA -1.788 59.236 61.300 -0.460 0.000 1.292 316 I CB 0.175 37.909 38.000 -0.443 0.000 1.423 316 I HN -0.164 nan 8.210 nan 0.000 0.493 317 P HA 0.158 nan 4.420 nan 0.000 0.276 317 P C 0.586 177.870 177.300 -0.025 0.000 1.243 317 P CA -0.397 62.678 63.100 -0.042 0.000 0.768 317 P CB 0.759 32.478 31.700 0.032 0.000 0.856 318 M N 0.643 120.241 119.600 -0.004 0.000 2.374 318 M HA -0.065 4.415 4.480 -0.001 0.000 0.264 318 M C 0.710 177.027 176.300 0.028 0.000 1.067 318 M CA 0.985 56.293 55.300 0.013 0.000 1.103 318 M CB -1.079 31.534 32.600 0.021 0.000 1.402 318 M HN 0.360 nan 8.290 nan 0.000 0.444 319 N N 2.341 121.060 118.700 0.031 0.000 2.400 319 N HA -0.030 4.709 4.740 -0.001 0.000 0.267 319 N C 0.636 176.178 175.510 0.053 0.000 1.208 319 N CA 0.303 53.377 53.050 0.039 0.000 0.951 319 N CB 0.615 39.124 38.487 0.037 0.000 1.227 319 N HN 0.189 nan 8.380 nan 0.000 0.488 320 Q N 2.563 122.397 119.800 0.057 0.000 2.500 320 Q HA -0.054 4.285 4.340 -0.001 0.000 0.213 320 Q C 0.591 176.635 176.000 0.075 0.000 0.974 320 Q CA 0.874 56.722 55.803 0.075 0.000 0.918 320 Q CB 0.225 29.015 28.738 0.087 0.000 0.980 320 Q HN 0.637 nan 8.270 nan 0.000 0.505 321 K N -0.181 120.254 120.400 0.059 0.000 2.361 321 K HA 0.083 4.403 4.320 -0.001 0.000 0.196 321 K C 0.529 177.163 176.600 0.057 0.000 1.039 321 K CA 0.015 56.333 56.287 0.051 0.000 1.001 321 K CB 0.512 33.034 32.500 0.036 0.000 0.795 321 K HN -0.070 nan 8.250 nan 0.000 0.495 322 R N 2.320 122.862 120.500 0.071 0.000 2.265 322 R HA 0.200 4.540 4.340 -0.001 0.000 0.314 322 R C -2.322 174.053 176.300 0.126 0.000 1.053 322 R CA -1.724 54.425 56.100 0.082 0.000 0.931 322 R CB 0.548 30.896 30.300 0.079 0.000 1.024 322 R HN 0.077 nan 8.270 nan 0.000 0.457 323 P HA 0.222 nan 4.420 nan 0.000 0.279 323 P C -1.183 176.217 177.300 0.165 0.000 1.282 323 P CA -0.091 63.044 63.100 0.058 0.000 0.788 323 P CB 0.587 32.272 31.700 -0.024 0.000 1.139 324 Y N -3.866 116.434 120.300 0.001 0.000 2.713 324 Y HA 0.509 5.058 4.550 -0.001 0.000 0.335 324 Y C -1.388 174.512 175.900 0.001 0.000 1.222 324 Y CA -1.338 56.764 58.100 0.002 0.000 1.061 324 Y CB 0.130 38.588 38.460 -0.003 0.000 1.314 324 Y HN 0.101 nan 8.280 nan 0.000 0.453 325 D N 1.578 122.058 120.400 0.133 0.000 2.380 325 D HA 0.151 4.790 4.640 -0.001 0.000 0.230 325 D C 0.553 176.923 176.300 0.117 0.000 1.154 325 D CA -0.200 53.838 54.000 0.064 0.000 0.859 325 D CB 1.286 42.159 40.800 0.120 0.000 1.045 325 D HN 0.700 nan 8.370 nan 0.000 0.495 326 I N 4.645 125.164 120.570 -0.085 0.000 2.335 326 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 326 I C 1.222 177.279 176.117 -0.100 0.000 1.129 326 I CA 1.484 62.744 61.300 -0.067 0.000 1.402 326 I CB -0.341 37.509 38.000 -0.251 0.000 1.069 326 I HN 0.502 nan 8.210 nan 0.000 0.424 327 Y N 0.678 120.942 120.300 -0.059 0.000 2.256 327 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 327 Y C 2.449 178.329 175.900 -0.033 0.000 1.155 327 Y CA 1.348 59.393 58.100 -0.092 0.000 1.203 327 Y CB -0.325 38.086 38.460 -0.081 0.000 0.980 327 Y HN 0.207 nan 8.280 nan 0.000 0.530 328 E N -0.408 119.888 120.200 0.159 0.000 2.204 328 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 328 E C 2.319 178.963 176.600 0.072 0.000 0.989 328 E CA 0.970 57.435 56.400 0.109 0.000 0.824 328 E CB -0.282 29.482 29.700 0.107 0.000 0.756 328 E HN 0.347 nan 8.360 nan 0.000 0.477 329 V N 1.487 121.442 119.914 0.068 0.000 2.302 329 V HA -0.180 3.940 4.120 -0.001 0.000 0.243 329 V C 2.426 178.542 176.094 0.036 0.000 1.036 329 V CA 1.120 63.436 62.300 0.027 0.000 1.020 329 V CB -0.433 31.412 31.823 0.036 0.000 0.657 329 V HN 0.158 nan 8.190 nan 0.000 0.453 330 I N 1.046 121.647 120.570 0.052 0.000 2.194 330 I HA -0.286 3.883 4.170 -0.001 0.000 0.246 330 I C 2.671 178.913 176.117 0.208 0.000 1.093 330 I CA 1.673 63.062 61.300 0.148 0.000 1.355 330 I CB -0.665 37.263 38.000 -0.121 0.000 1.046 330 I HN 0.300 nan 8.210 nan 0.000 0.413 331 A N 0.643 123.536 122.820 0.123 0.000 2.024 331 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 331 A C 2.303 179.945 177.584 0.096 0.000 1.164 331 A CA 1.531 53.645 52.037 0.127 0.000 0.643 331 A CB -0.504 18.556 19.000 0.100 0.000 0.806 331 A HN 0.405 nan 8.150 nan 0.000 0.451 332 R N -1.282 119.247 120.500 0.048 0.000 2.312 332 R HA 0.360 4.700 4.340 -0.001 0.000 0.205 332 R C 1.125 177.385 176.300 -0.066 0.000 0.904 332 R CA 0.119 56.219 56.100 0.000 0.000 1.052 332 R CB 0.082 30.372 30.300 -0.016 0.000 1.014 332 R HN 0.462 nan 8.270 nan 0.000 0.503 333 L N -0.967 120.175 121.223 -0.135 0.000 2.575 333 L HA 0.304 4.644 4.340 -0.001 0.000 0.228 333 L C -0.080 176.417 176.870 -0.622 0.000 1.075 333 L CA 0.183 54.764 54.840 -0.431 0.000 0.867 333 L CB 0.363 42.022 42.059 -0.667 0.000 1.097 333 L HN -0.036 nan 8.230 nan 0.000 0.485 334 F N -0.570 119.417 119.950 0.063 0.000 2.556 334 F HA 0.307 4.833 4.527 -0.001 0.000 0.327 334 F C 0.194 176.042 175.800 0.079 0.000 1.059 334 F CA -1.306 56.745 58.000 0.085 0.000 0.953 334 F CB 0.743 39.817 39.000 0.124 0.000 1.227 334 F HN -0.231 nan 8.300 nan 0.000 0.478 335 D N 1.262 121.824 120.400 0.269 0.000 2.531 335 D HA -0.017 4.622 4.640 -0.001 0.000 0.239 335 D C 0.640 177.028 176.300 0.146 0.000 1.144 335 D CA 1.145 55.239 54.000 0.157 0.000 0.869 335 D CB 0.014 40.885 40.800 0.119 0.000 1.160 335 D HN 0.595 nan 8.370 nan 0.000 0.484 336 N N 1.289 120.053 118.700 0.107 0.000 2.713 336 N HA -0.315 4.425 4.740 -0.001 0.000 0.251 336 N C -0.505 175.071 175.510 0.110 0.000 1.117 336 N CA 1.187 54.293 53.050 0.093 0.000 0.770 336 N CB -0.836 37.698 38.487 0.079 0.000 1.137 336 N HN 0.378 nan 8.380 nan 0.000 0.566 337 S N -1.789 113.994 115.700 0.138 0.000 3.533 337 S HA -0.266 4.204 4.470 -0.001 0.000 0.347 337 S C -0.130 174.576 174.600 0.176 0.000 1.101 337 S CA 1.372 59.664 58.200 0.154 0.000 1.009 337 S CB -1.070 62.195 63.200 0.109 0.000 0.916 337 S HN 0.620 nan 8.310 nan 0.000 0.496 338 E N -0.330 119.988 120.200 0.197 0.000 2.277 338 E HA 0.692 5.041 4.350 -0.001 0.000 0.274 338 E C -0.588 176.189 176.600 0.296 0.000 1.022 338 E CA -0.449 56.069 56.400 0.197 0.000 0.853 338 E CB 0.940 30.725 29.700 0.142 0.000 1.086 338 E HN 0.267 nan 8.360 nan 0.000 0.397 339 F N 1.108 121.099 119.950 0.068 0.000 2.622 339 F HA 0.184 4.711 4.527 -0.001 0.000 0.318 339 F C -1.068 174.766 175.800 0.058 0.000 1.135 339 F CA -0.548 57.481 58.000 0.049 0.000 1.015 339 F CB 1.931 40.974 39.000 0.073 0.000 1.275 339 F HN 0.272 nan 8.300 nan 0.000 0.457 340 S N 4.868 120.242 115.700 -0.543 0.000 2.505 340 S HA 0.281 4.751 4.470 -0.001 0.000 0.280 340 S C -0.646 173.641 174.600 -0.521 0.000 1.197 340 S CA -0.479 57.524 58.200 -0.328 0.000 1.138 340 S CB 0.100 63.228 63.200 -0.120 0.000 1.010 340 S HN 0.756 nan 8.310 nan 0.000 0.480 341 E N 3.572 123.583 120.200 -0.316 0.000 2.316 341 E HA 0.127 4.476 4.350 -0.001 0.000 0.275 341 E C -1.071 175.493 176.600 -0.059 0.000 1.029 341 E CA -0.479 55.814 56.400 -0.178 0.000 0.871 341 E CB 0.484 30.308 29.700 0.206 0.000 1.022 341 E HN 0.681 nan 8.360 nan 0.000 0.418 342 Y N 4.996 125.147 120.300 -0.250 0.000 2.365 342 Y HA 0.159 4.710 4.550 0.002 0.000 0.340 342 Y C -0.196 175.557 175.900 -0.244 0.000 1.016 342 Y CA -0.398 57.580 58.100 -0.204 0.000 1.196 342 Y CB 0.480 38.808 38.460 -0.219 0.000 1.167 342 Y HN 0.684 nan 8.280 nan 0.000 0.509 343 K N 3.160 123.070 120.400 -0.816 0.000 3.150 343 K HA -0.272 4.047 4.320 -0.001 0.000 0.267 343 K C -0.313 176.082 176.600 -0.342 0.000 1.028 343 K CA 0.827 56.437 56.287 -1.128 0.000 0.753 343 K CB -0.814 30.798 32.500 -1.480 0.000 1.288 343 K HN 0.617 nan 8.250 nan 0.000 0.473 344 K N 0.695 121.056 120.400 -0.065 0.000 2.472 344 K HA 0.084 4.403 4.320 -0.001 0.000 0.280 344 K C 1.255 177.948 176.600 0.155 0.000 1.028 344 K CA 1.647 57.981 56.287 0.077 0.000 1.045 344 K CB 0.345 32.915 32.500 0.116 0.000 0.902 344 K HN 0.472 nan 8.250 nan 0.000 0.478 345 G N 2.714 111.577 108.800 0.105 0.000 2.213 345 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.236 345 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.236 345 G C -0.664 174.326 174.900 0.150 0.000 0.991 345 G CA 0.297 45.463 45.100 0.111 0.000 0.629 345 G HN 0.675 nan 8.290 nan 0.000 0.517 346 Y N 1.253 121.570 120.300 0.029 0.000 2.331 346 Y HA 0.469 5.018 4.550 -0.001 0.000 0.338 346 Y C 0.837 176.728 175.900 -0.016 0.000 0.992 346 Y CA -0.167 57.951 58.100 0.030 0.000 1.121 346 Y CB 1.601 40.067 38.460 0.010 0.000 1.184 346 Y HN 1.426 nan 8.280 nan 0.000 0.469 347 G N 7.910 116.404 108.800 -0.510 0.000 2.367 347 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.295 347 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.295 347 G C -1.840 172.939 174.900 -0.203 0.000 1.019 347 G CA -0.095 44.827 45.100 -0.298 0.000 1.224 347 G HN 0.627 nan 8.290 nan 0.000 0.510 348 P HA -0.096 nan 4.420 nan 0.000 0.228 348 P C 1.595 178.761 177.300 -0.223 0.000 1.151 348 P CA 1.369 64.291 63.100 -0.297 0.000 0.770 348 P CB 0.262 31.692 31.700 -0.450 0.000 0.786 349 E N -1.151 118.952 120.200 -0.161 0.000 2.418 349 E HA -0.040 4.310 4.350 -0.001 0.000 0.197 349 E C 0.502 177.090 176.600 -0.020 0.000 1.026 349 E CA 0.681 57.074 56.400 -0.012 0.000 0.862 349 E CB -0.204 29.633 29.700 0.228 0.000 0.799 349 E HN 0.200 nan 8.360 nan 0.000 0.518 350 M N 0.972 120.547 119.600 -0.042 0.000 2.591 350 M HA 0.393 4.873 4.480 -0.001 0.000 0.306 350 M C -0.874 175.369 176.300 -0.095 0.000 1.190 350 M CA -1.273 53.995 55.300 -0.053 0.000 0.889 350 M CB 2.296 34.894 32.600 -0.004 0.000 1.728 350 M HN -0.257 nan 8.290 nan 0.000 0.458 351 V N 1.799 121.628 119.914 -0.142 0.000 2.398 351 V HA 0.672 4.791 4.120 -0.001 0.000 0.286 351 V C -0.085 175.932 176.094 -0.129 0.000 1.026 351 V CA -0.483 61.731 62.300 -0.144 0.000 0.868 351 V CB 1.678 33.295 31.823 -0.342 0.000 0.982 351 V HN 0.974 nan 8.190 nan 0.000 0.443 352 T N 1.326 115.784 114.554 -0.160 0.000 2.841 352 T HA 0.902 5.251 4.350 -0.001 0.000 0.285 352 T C -0.159 174.177 174.700 -0.605 0.000 0.991 352 T CA -0.367 61.406 62.100 -0.545 0.000 0.966 352 T CB 1.794 70.187 68.868 -0.793 0.000 0.962 352 T HN 1.186 nan 8.240 nan 0.000 0.438 353 G N 1.772 110.170 108.800 -0.670 0.000 2.451 353 G HA2 0.513 4.473 3.960 -0.001 0.000 0.292 353 G HA3 0.513 4.473 3.960 -0.001 0.000 0.292 353 G C -1.729 172.965 174.900 -0.344 0.000 1.427 353 G CA -1.142 43.562 45.100 -0.661 0.000 0.792 353 G HN 0.870 nan 8.290 nan 0.000 0.498 354 L N 0.460 121.482 121.223 -0.336 0.000 2.350 354 L HA 0.713 5.052 4.340 -0.001 0.000 0.275 354 L C 0.735 177.437 176.870 -0.280 0.000 1.099 354 L CA -0.401 54.347 54.840 -0.153 0.000 0.808 354 L CB 1.341 43.400 42.059 -0.001 0.000 1.149 354 L HN 0.887 nan 8.230 nan 0.000 0.442 355 A N 3.499 126.232 122.820 -0.146 0.000 2.552 355 A HA 0.791 5.111 4.320 -0.001 0.000 0.288 355 A C -1.324 176.258 177.584 -0.004 0.000 1.193 355 A CA -0.782 51.202 52.037 -0.089 0.000 0.713 355 A CB 1.738 20.541 19.000 -0.328 0.000 1.305 355 A HN 0.648 nan 8.150 nan 0.000 0.424 356 K N -0.097 120.369 120.400 0.109 0.000 2.316 356 K HA 0.660 4.979 4.320 -0.001 0.000 0.251 356 K C -1.674 175.075 176.600 0.248 0.000 0.934 356 K CA -0.625 55.733 56.287 0.119 0.000 0.802 356 K CB 2.442 34.975 32.500 0.054 0.000 1.171 356 K HN 0.327 nan 8.250 nan 0.000 0.426 357 V N 3.647 123.670 119.914 0.182 0.000 2.409 357 V HA 0.144 4.263 4.120 -0.001 0.000 0.290 357 V C -0.495 175.650 176.094 0.085 0.000 1.017 357 V CA -1.013 61.399 62.300 0.186 0.000 0.841 357 V CB 1.126 33.089 31.823 0.233 0.000 1.003 357 V HN 0.850 nan 8.190 nan 0.000 0.426 358 N N 4.109 122.854 118.700 0.075 0.000 2.716 358 N HA -0.226 4.514 4.740 -0.001 0.000 0.250 358 N C 1.262 176.773 175.510 0.001 0.000 1.033 358 N CA 1.723 54.804 53.050 0.051 0.000 0.727 358 N CB -1.062 37.472 38.487 0.079 0.000 0.950 358 N HN 1.521 nan 8.380 nan 0.000 0.541 359 G N -2.259 106.522 108.800 -0.031 0.000 2.179 359 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.260 359 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.260 359 G C 0.004 174.798 174.900 -0.177 0.000 0.977 359 G CA 0.528 45.556 45.100 -0.120 0.000 0.641 359 G HN 0.443 nan 8.290 nan 0.000 0.533 360 L N 0.799 121.923 121.223 -0.165 0.000 2.307 360 L HA 0.602 4.942 4.340 -0.001 0.000 0.282 360 L C 0.969 177.722 176.870 -0.195 0.000 1.051 360 L CA -1.052 53.593 54.840 -0.327 0.000 0.804 360 L CB 1.470 43.236 42.059 -0.487 0.000 1.197 360 L HN 0.012 nan 8.230 nan 0.000 0.431 361 L N 4.016 125.099 121.223 -0.234 0.000 2.410 361 L HA 0.354 4.693 4.340 -0.001 0.000 0.273 361 L C -0.058 176.850 176.870 0.064 0.000 1.152 361 L CA -0.259 54.525 54.840 -0.093 0.000 0.855 361 L CB 0.995 42.954 42.059 -0.166 0.000 1.129 361 L HN 0.442 nan 8.230 nan 0.000 0.463 362 V N 0.162 120.106 119.914 0.050 0.000 3.040 362 V HA 0.882 5.002 4.120 -0.001 0.000 0.312 362 V C -0.019 176.075 176.094 -0.001 0.000 1.115 362 V CA -0.678 61.664 62.300 0.070 0.000 0.998 362 V CB 1.691 33.612 31.823 0.163 0.000 1.042 362 V HN 0.705 nan 8.190 nan 0.000 0.433 363 G N 1.220 110.013 108.800 -0.011 0.000 2.335 363 G HA2 0.603 4.563 3.960 -0.001 0.000 0.316 363 G HA3 0.603 4.563 3.960 -0.001 0.000 0.316 363 G C -0.909 174.020 174.900 0.048 0.000 1.129 363 G CA -0.598 44.547 45.100 0.075 0.000 0.899 363 G HN 1.017 nan 8.290 nan 0.000 0.448 364 V N 3.581 123.534 119.914 0.066 0.000 2.459 364 V HA 0.514 4.634 4.120 -0.001 0.000 0.295 364 V C -0.113 175.919 176.094 -0.103 0.000 1.029 364 V CA -0.586 61.683 62.300 -0.051 0.000 0.874 364 V CB 1.504 33.271 31.823 -0.093 0.000 0.985 364 V HN 0.630 nan 8.190 nan 0.000 0.438 365 I N 3.968 124.411 120.570 -0.212 0.000 2.468 365 I HA 0.793 4.963 4.170 -0.001 0.000 0.285 365 I C -0.145 175.927 176.117 -0.075 0.000 1.039 365 I CA -0.464 60.690 61.300 -0.243 0.000 1.074 365 I CB 1.864 39.527 38.000 -0.562 0.000 1.228 365 I HN 0.711 nan 8.210 nan 0.000 0.436 366 A N 5.681 128.457 122.820 -0.072 0.000 2.486 366 A HA 0.578 4.898 4.320 -0.001 0.000 0.300 366 A C -0.860 176.682 177.584 -0.070 0.000 1.048 366 A CA -0.807 51.202 52.037 -0.047 0.000 0.696 366 A CB 1.378 20.315 19.000 -0.104 0.000 1.278 366 A HN 0.673 nan 8.150 nan 0.000 0.405 367 N N 0.449 119.128 118.700 -0.035 0.000 2.479 367 N HA 0.274 5.013 4.740 -0.001 0.000 0.257 367 N C -0.492 174.930 175.510 -0.147 0.000 1.232 367 N CA 0.209 53.223 53.050 -0.061 0.000 0.920 367 N CB 1.323 39.790 38.487 -0.034 0.000 1.105 367 N HN 0.365 nan 8.380 nan 0.000 0.444 368 V N 2.545 122.369 119.914 -0.151 0.000 2.427 368 V HA 0.168 4.288 4.120 -0.001 0.000 0.286 368 V C 0.300 176.277 176.094 -0.195 0.000 1.034 368 V CA -0.667 61.510 62.300 -0.205 0.000 0.893 368 V CB 1.583 33.307 31.823 -0.164 0.000 0.982 368 V HN 0.514 nan 8.190 nan 0.000 0.452 369 Q N 2.067 121.688 119.800 -0.298 0.000 2.204 369 Q HA 0.803 5.143 4.340 -0.001 0.000 0.254 369 Q C 0.439 176.335 176.000 -0.173 0.000 0.981 369 Q CA 0.317 55.956 55.803 -0.273 0.000 0.897 369 Q CB 1.886 30.322 28.738 -0.504 0.000 1.273 369 Q HN 1.152 nan 8.270 nan 0.000 0.464 370 G N -0.332 108.405 108.800 -0.105 0.000 2.498 370 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.651 370 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.651 370 G C -1.404 173.476 174.900 -0.034 0.000 1.284 370 G CA -0.970 44.093 45.100 -0.060 0.000 0.950 370 G HN 0.376 nan 8.290 nan 0.000 0.511 371 L N -0.189 121.019 121.223 -0.025 0.000 2.309 371 L HA 0.689 5.029 4.340 -0.001 0.000 0.282 371 L C 0.156 177.006 176.870 -0.034 0.000 1.036 371 L CA -0.826 54.004 54.840 -0.016 0.000 0.806 371 L CB 1.546 43.601 42.059 -0.007 0.000 1.220 371 L HN 0.460 nan 8.230 nan 0.000 0.429 372 L N 3.733 124.933 121.223 -0.037 0.000 2.324 372 L HA 0.421 4.761 4.340 -0.001 0.000 0.274 372 L C -0.045 176.800 176.870 -0.041 0.000 1.012 372 L CA -0.482 54.313 54.840 -0.075 0.000 0.859 372 L CB 1.369 43.338 42.059 -0.151 0.000 1.224 372 L HN 0.565 nan 8.230 nan 0.000 0.429 373 M N 3.482 123.057 119.600 -0.041 0.000 2.249 373 M HA 0.092 4.571 4.480 -0.001 0.000 0.340 373 M C 0.842 177.136 176.300 -0.010 0.000 1.166 373 M CA 0.628 55.913 55.300 -0.025 0.000 1.115 373 M CB -0.163 32.422 32.600 -0.026 0.000 1.606 373 M HN 0.630 nan 8.290 nan 0.000 0.448 374 N N 2.692 121.384 118.700 -0.013 0.000 2.714 374 N HA -0.264 4.476 4.740 -0.001 0.000 0.253 374 N C -2.252 173.269 175.510 0.018 0.000 1.024 374 N CA 1.035 54.077 53.050 -0.013 0.000 0.726 374 N CB -1.219 37.263 38.487 -0.008 0.000 0.908 374 N HN 0.676 nan 8.380 nan 0.000 0.542 375 Y N -0.788 119.388 120.300 -0.206 0.000 2.519 375 Y HA 0.602 5.151 4.550 -0.001 0.000 0.336 375 Y C -2.671 172.966 175.900 -0.439 0.000 1.089 375 Y CA -1.671 56.238 58.100 -0.318 0.000 1.025 375 Y CB 1.882 40.148 38.460 -0.324 0.000 1.318 375 Y HN 0.003 nan 8.280 nan 0.000 0.452 376 P HA 0.142 nan 4.420 nan 0.000 0.281 376 P C -0.149 176.588 177.300 -0.938 0.000 1.281 376 P CA -0.113 61.944 63.100 -1.739 0.000 0.811 376 P CB 1.119 31.737 31.700 -1.804 0.000 1.154 377 E N 0.984 120.773 120.200 -0.684 0.000 2.347 377 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 377 E C 1.053 177.554 176.600 -0.165 0.000 1.008 377 E CA 1.466 57.706 56.400 -0.266 0.000 0.852 377 E CB -0.989 28.674 29.700 -0.062 0.000 0.783 377 E HN 0.622 nan 8.360 nan 0.000 0.505 378 Y N 0.343 120.567 120.300 -0.128 0.000 2.466 378 Y HA 0.475 5.024 4.550 -0.001 0.000 0.272 378 Y C 0.463 176.327 175.900 -0.060 0.000 1.169 378 Y CA -0.791 57.268 58.100 -0.068 0.000 1.285 378 Y CB 0.073 38.505 38.460 -0.046 0.000 1.078 378 Y HN -0.257 nan 8.280 nan 0.000 0.523 379 K N 0.919 121.171 120.400 -0.247 0.000 2.267 379 K HA 0.351 4.670 4.320 -0.001 0.000 0.246 379 K C -0.568 175.963 176.600 -0.115 0.000 0.954 379 K CA -1.033 55.170 56.287 -0.140 0.000 0.824 379 K CB 1.572 33.941 32.500 -0.218 0.000 1.167 379 K HN -0.040 nan 8.250 nan 0.000 0.431 380 Q N 1.443 121.208 119.800 -0.059 0.000 2.257 380 Q HA 0.187 4.526 4.340 -0.001 0.000 0.255 380 Q C -0.747 175.223 176.000 -0.049 0.000 0.920 380 Q CA -0.229 55.547 55.803 -0.046 0.000 0.927 380 Q CB 1.165 29.891 28.738 -0.020 0.000 1.229 380 Q HN 0.631 nan 8.270 nan 0.000 0.433 381 N N 0.360 119.032 118.700 -0.048 0.000 2.688 381 N HA -0.187 4.553 4.740 -0.001 0.000 0.258 381 N C -0.927 174.554 175.510 -0.049 0.000 1.016 381 N CA 0.873 53.899 53.050 -0.041 0.000 0.747 381 N CB -0.405 38.066 38.487 -0.026 0.000 0.895 381 N HN 0.434 nan 8.380 nan 0.000 0.543 382 S N -0.546 115.109 115.700 -0.075 0.000 2.648 382 S HA 0.791 5.260 4.470 -0.001 0.000 0.305 382 S C -0.422 174.130 174.600 -0.080 0.000 1.094 382 S CA -0.666 57.481 58.200 -0.088 0.000 0.983 382 S CB 1.589 64.700 63.200 -0.148 0.000 1.101 382 S HN 0.070 nan 8.310 nan 0.000 0.514 383 V N 2.332 122.208 119.914 -0.063 0.000 2.540 383 V HA 0.656 4.775 4.120 -0.001 0.000 0.302 383 V C 0.879 176.945 176.094 -0.048 0.000 1.035 383 V CA -0.561 61.714 62.300 -0.042 0.000 0.873 383 V CB 1.386 33.198 31.823 -0.018 0.000 0.992 383 V HN 1.027 nan 8.190 nan 0.000 0.428 384 G N 4.451 113.224 108.800 -0.046 0.000 2.444 384 G HA2 0.562 4.521 3.960 -0.001 0.000 0.268 384 G HA3 0.562 4.521 3.960 -0.001 0.000 0.268 384 G C -0.539 174.403 174.900 0.069 0.000 1.203 384 G CA -0.431 44.633 45.100 -0.060 0.000 0.835 384 G HN 0.477 nan 8.290 nan 0.000 0.543 385 I N 2.145 122.851 120.570 0.227 0.000 2.328 385 I HA 0.257 4.427 4.170 -0.001 0.000 0.287 385 I C 1.188 177.416 176.117 0.184 0.000 1.012 385 I CA -0.791 60.615 61.300 0.175 0.000 1.195 385 I CB 0.475 38.572 38.000 0.162 0.000 1.350 385 I HN 0.518 nan 8.210 nan 0.000 0.464 386 G N 3.593 112.439 108.800 0.077 0.000 2.414 386 G HA2 0.360 4.320 3.960 -0.001 0.000 0.236 386 G HA3 0.360 4.320 3.960 -0.001 0.000 0.236 386 G C 0.949 175.859 174.900 0.017 0.000 1.293 386 G CA 0.529 45.644 45.100 0.026 0.000 0.869 386 G HN 1.164 nan 8.290 nan 0.000 0.556 387 G N 0.974 109.776 108.800 0.004 0.000 2.234 387 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.235 387 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.235 387 G C 0.558 175.455 174.900 -0.006 0.000 0.997 387 G CA 0.598 45.694 45.100 -0.008 0.000 0.623 387 G HN 0.807 nan 8.290 nan 0.000 0.514 388 K N 0.095 120.507 120.400 0.020 0.000 2.106 388 K HA 0.758 5.078 4.320 -0.001 0.000 0.246 388 K C -0.080 176.438 176.600 -0.137 0.000 0.987 388 K CA -0.640 55.588 56.287 -0.099 0.000 0.904 388 K CB 1.465 33.853 32.500 -0.187 0.000 1.071 388 K HN 0.184 nan 8.250 nan 0.000 0.453 389 L N 2.222 123.270 121.223 -0.292 0.000 2.329 389 L HA 0.477 4.817 4.340 -0.001 0.000 0.279 389 L C -0.789 175.866 176.870 -0.358 0.000 1.014 389 L CA -0.841 53.898 54.840 -0.168 0.000 0.814 389 L CB 0.523 42.546 42.059 -0.061 0.000 1.257 389 L HN 0.571 nan 8.230 nan 0.000 0.424 390 Y N 0.248 120.618 120.300 0.117 0.000 2.876 390 Y HA 0.417 4.966 4.550 -0.001 0.000 0.318 390 Y C 1.193 177.173 175.900 0.133 0.000 1.275 390 Y CA -0.840 57.349 58.100 0.150 0.000 1.144 390 Y CB 0.856 39.386 38.460 0.118 0.000 1.376 390 Y HN 0.413 nan 8.280 nan 0.000 0.589 391 R N 0.136 120.857 120.500 0.369 0.000 2.070 391 R HA -0.180 4.159 4.340 -0.001 0.000 0.232 391 R C 1.598 177.981 176.300 0.138 0.000 1.138 391 R CA 2.396 58.616 56.100 0.200 0.000 0.936 391 R CB -0.284 30.134 30.300 0.197 0.000 0.839 391 R HN 0.810 nan 8.270 nan 0.000 0.429 392 Q N -0.793 119.045 119.800 0.064 0.000 2.124 392 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 392 Q C 2.128 178.026 176.000 -0.171 0.000 0.977 392 Q CA 1.354 56.993 55.803 -0.272 0.000 0.850 392 Q CB -0.172 28.127 28.738 -0.733 0.000 0.901 392 Q HN 0.587 nan 8.270 nan 0.000 0.429 393 G N 1.106 109.913 108.800 0.012 0.000 2.418 393 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.217 393 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.217 393 G C 1.422 176.394 174.900 0.119 0.000 1.158 393 G CA 0.503 45.644 45.100 0.068 0.000 0.771 393 G HN 0.156 nan 8.290 nan 0.000 0.545 394 L N -0.000 121.301 121.223 0.130 0.000 2.056 394 L HA 0.013 4.353 4.340 -0.001 0.000 0.207 394 L C 2.859 179.829 176.870 0.166 0.000 1.078 394 L CA 0.689 55.611 54.840 0.138 0.000 0.749 394 L CB -0.293 41.830 42.059 0.106 0.000 0.901 394 L HN 0.201 nan 8.230 nan 0.000 0.433 395 I N -0.243 120.438 120.570 0.185 0.000 2.202 395 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 395 I C 2.670 178.967 176.117 0.299 0.000 1.091 395 I CA 1.249 62.692 61.300 0.238 0.000 1.368 395 I CB -0.305 37.867 38.000 0.287 0.000 1.058 395 I HN 0.234 nan 8.210 nan 0.000 0.410 396 K N 1.130 121.747 120.400 0.361 0.000 2.044 396 K HA -0.220 4.099 4.320 -0.001 0.000 0.210 396 K C 2.222 179.022 176.600 0.333 0.000 1.049 396 K CA 1.735 58.256 56.287 0.391 0.000 0.927 396 K CB -0.068 32.620 32.500 0.312 0.000 0.713 396 K HN 0.199 nan 8.250 nan 0.000 0.443 397 M N 0.600 120.348 119.600 0.247 0.000 2.132 397 M HA -0.168 4.311 4.480 -0.001 0.000 0.263 397 M C 1.970 178.417 176.300 0.245 0.000 1.065 397 M CA 1.318 56.762 55.300 0.241 0.000 1.122 397 M CB -0.417 32.333 32.600 0.250 0.000 1.365 397 M HN 0.230 nan 8.290 nan 0.000 0.411 398 N N 0.516 119.347 118.700 0.220 0.000 2.061 398 N HA -0.200 4.539 4.740 -0.001 0.000 0.193 398 N C 1.536 177.135 175.510 0.149 0.000 1.030 398 N CA 1.707 54.865 53.050 0.181 0.000 0.856 398 N CB -0.300 38.282 38.487 0.159 0.000 1.023 398 N HN 0.494 nan 8.380 nan 0.000 0.424 399 E N -0.199 120.108 120.200 0.178 0.000 2.051 399 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 399 E C 1.780 178.385 176.600 0.008 0.000 0.991 399 E CA 0.781 57.264 56.400 0.138 0.000 0.799 399 E CB -0.221 29.637 29.700 0.264 0.000 0.748 399 E HN 0.267 nan 8.360 nan 0.000 0.449 400 F N 1.162 121.008 119.950 -0.173 0.000 2.146 400 F HA -0.182 4.347 4.527 0.003 0.000 0.298 400 F C 2.111 177.761 175.800 -0.251 0.000 1.096 400 F CA 0.899 58.653 58.000 -0.411 0.000 1.275 400 F CB -0.232 38.563 39.000 -0.341 0.000 1.008 400 F HN -0.204 nan 8.300 nan 0.000 0.480 401 V N -0.305 119.548 119.914 -0.102 0.000 2.332 401 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 401 V C 2.311 178.311 176.094 -0.157 0.000 1.055 401 V CA 2.446 64.673 62.300 -0.123 0.000 1.038 401 V CB -1.147 30.738 31.823 0.104 0.000 0.651 401 V HN 0.402 nan 8.190 nan 0.000 0.450 402 T N 0.226 114.724 114.554 -0.095 0.000 2.777 402 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 402 T C 1.888 176.497 174.700 -0.151 0.000 1.040 402 T CA 1.411 63.464 62.100 -0.078 0.000 1.141 402 T CB -0.254 68.608 68.868 -0.011 0.000 0.868 402 T HN 0.283 nan 8.240 nan 0.000 0.444 403 L N 0.362 121.443 121.223 -0.236 0.000 2.017 403 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 403 L C 2.903 179.570 176.870 -0.339 0.000 1.073 403 L CA 1.019 55.690 54.840 -0.282 0.000 0.745 403 L CB -0.643 41.197 42.059 -0.365 0.000 0.894 403 L HN 0.369 nan 8.230 nan 0.000 0.432 404 C N -0.409 118.586 119.300 -0.507 0.000 2.425 404 C HA -0.142 4.318 4.460 -0.001 0.000 0.277 404 C C 3.135 177.961 174.990 -0.275 0.000 1.280 404 C CA 0.589 59.332 59.018 -0.459 0.000 1.744 404 C CB -1.055 26.311 27.740 -0.623 0.000 1.989 404 C HN 0.622 nan 8.230 nan 0.000 0.491 405 A N 0.641 123.327 122.820 -0.223 0.000 1.883 405 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 405 A C 2.327 179.832 177.584 -0.131 0.000 1.186 405 A CA 1.973 53.921 52.037 -0.148 0.000 0.624 405 A CB -0.725 18.211 19.000 -0.106 0.000 0.822 405 A HN 0.647 nan 8.150 nan 0.000 0.444 406 R N -0.440 119.984 120.500 -0.126 0.000 2.091 406 R HA -0.173 4.166 4.340 -0.001 0.000 0.238 406 R C 0.604 176.841 176.300 -0.106 0.000 1.136 406 R CA 1.905 57.945 56.100 -0.101 0.000 0.959 406 R CB -0.380 29.865 30.300 -0.090 0.000 0.856 406 R HN 0.405 nan 8.270 nan 0.000 0.437 407 D N 0.191 120.511 120.400 -0.133 0.000 2.349 407 D HA -0.003 4.637 4.640 -0.001 0.000 0.224 407 D C 0.073 176.302 176.300 -0.119 0.000 1.029 407 D CA 0.252 54.180 54.000 -0.120 0.000 0.879 407 D CB 0.084 40.802 40.800 -0.136 0.000 0.906 407 D HN 0.063 nan 8.370 nan 0.000 0.528 408 R N -0.488 119.928 120.500 -0.140 0.000 3.641 408 R HA -0.164 4.176 4.340 -0.001 0.000 0.286 408 R C -0.626 175.547 176.300 -0.211 0.000 1.153 408 R CA 0.271 56.268 56.100 -0.172 0.000 0.775 408 R CB -2.455 27.751 30.300 -0.158 0.000 1.215 408 R HN 0.280 nan 8.270 nan 0.000 0.474 409 I N 1.297 121.755 120.570 -0.187 0.000 2.304 409 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 409 I C -1.806 174.209 176.117 -0.170 0.000 1.018 409 I CA -2.327 58.878 61.300 -0.158 0.000 1.260 409 I CB 1.343 39.254 38.000 -0.148 0.000 1.390 409 I HN -0.170 nan 8.210 nan 0.000 0.475 410 P HA 0.174 nan 4.420 nan 0.000 0.269 410 P C -0.831 176.482 177.300 0.021 0.000 1.209 410 P CA -0.111 62.953 63.100 -0.060 0.000 0.776 410 P CB 0.584 32.246 31.700 -0.063 0.000 0.876 411 L N 3.147 124.396 121.223 0.043 0.000 2.309 411 L HA 0.500 4.840 4.340 -0.001 0.000 0.282 411 L C 0.161 177.020 176.870 -0.019 0.000 1.036 411 L CA -0.507 54.293 54.840 -0.066 0.000 0.806 411 L CB 0.849 42.811 42.059 -0.162 0.000 1.220 411 L HN 0.217 nan 8.230 nan 0.000 0.429 412 I N 1.586 122.103 120.570 -0.088 0.000 2.382 412 I HA 0.256 4.425 4.170 -0.001 0.000 0.286 412 I C -1.209 174.874 176.117 -0.057 0.000 1.002 412 I CA -0.315 60.978 61.300 -0.011 0.000 1.135 412 I CB 1.329 39.413 38.000 0.140 0.000 1.288 412 I HN 0.472 nan 8.210 nan 0.000 0.448 413 W N 7.176 128.464 121.300 -0.019 0.000 2.391 413 W HA 0.567 5.224 4.660 -0.004 0.000 0.311 413 W C -0.723 175.794 176.519 -0.003 0.000 1.087 413 W CA -0.468 56.876 57.345 -0.002 0.000 1.209 413 W CB 0.914 30.359 29.460 -0.025 0.000 1.273 413 W HN 0.160 nan 8.180 nan 0.000 0.482 414 L N 4.148 125.496 121.223 0.208 0.000 2.277 414 L HA 0.375 4.714 4.340 -0.001 0.000 0.284 414 L C 0.098 177.037 176.870 0.115 0.000 1.028 414 L CA -0.757 54.160 54.840 0.128 0.000 0.835 414 L CB 0.575 42.687 42.059 0.089 0.000 1.215 414 L HN 0.373 nan 8.230 nan 0.000 0.425 415 Q N 2.865 122.718 119.800 0.088 0.000 2.256 415 Q HA 0.321 4.660 4.340 -0.001 0.000 0.254 415 Q C -0.940 175.062 176.000 0.003 0.000 0.916 415 Q CA -0.280 55.551 55.803 0.046 0.000 0.932 415 Q CB 2.163 30.913 28.738 0.020 0.000 1.207 415 Q HN 0.356 nan 8.270 nan 0.000 0.426 416 D N 1.840 122.240 120.400 -0.000 0.000 2.445 416 D HA 0.176 4.815 4.640 -0.001 0.000 0.236 416 D C -1.702 174.582 176.300 -0.027 0.000 1.315 416 D CA 0.050 54.045 54.000 -0.007 0.000 0.924 416 D CB 1.131 41.987 40.800 0.092 0.000 1.447 416 D HN 0.422 nan 8.370 nan 0.000 0.532 417 T N 0.312 114.823 114.554 -0.072 0.000 2.916 417 T HA 0.544 4.893 4.350 -0.001 0.000 0.305 417 T C 0.484 175.136 174.700 -0.080 0.000 1.119 417 T CA -0.300 61.761 62.100 -0.065 0.000 1.008 417 T CB 1.400 70.232 68.868 -0.060 0.000 1.129 417 T HN 0.171 nan 8.240 nan 0.000 0.480 418 T N -0.083 114.442 114.554 -0.048 0.000 3.145 418 T HA 0.620 4.970 4.350 -0.001 0.000 0.281 418 T C 0.872 175.546 174.700 -0.042 0.000 1.003 418 T CA 0.361 62.447 62.100 -0.023 0.000 0.901 418 T CB -0.281 68.597 68.868 0.017 0.000 1.112 418 T HN 1.499 nan 8.240 nan 0.000 0.535 419 G N 1.259 110.014 108.800 -0.075 0.000 2.497 419 G HA2 0.085 4.045 3.960 -0.001 0.000 0.686 419 G HA3 0.085 4.045 3.960 -0.001 0.000 0.686 419 G C -0.844 173.978 174.900 -0.129 0.000 1.288 419 G CA -0.916 44.128 45.100 -0.093 0.000 0.899 419 G HN 0.485 nan 8.290 nan 0.000 0.608 420 I N 0.653 121.147 120.570 -0.127 0.000 2.696 420 I HA 0.175 4.345 4.170 -0.001 0.000 0.284 420 I C 0.942 176.946 176.117 -0.190 0.000 1.129 420 I CA -0.132 61.069 61.300 -0.164 0.000 1.410 420 I CB 0.720 38.660 38.000 -0.100 0.000 1.399 420 I HN 0.633 nan 8.210 nan 0.000 0.579 421 D N 4.283 124.504 120.400 -0.298 0.000 2.472 421 D HA 0.205 4.845 4.640 -0.001 0.000 0.237 421 D C -0.602 175.664 176.300 -0.056 0.000 1.141 421 D CA 0.085 53.966 54.000 -0.198 0.000 0.875 421 D CB 0.799 41.499 40.800 -0.167 0.000 1.192 421 D HN 0.270 nan 8.370 nan 0.000 0.450 422 V N -0.009 119.900 119.914 -0.009 0.000 3.019 422 V HA 1.028 5.147 4.120 -0.001 0.000 0.317 422 V C 0.367 176.478 176.094 0.029 0.000 1.094 422 V CA -0.068 62.232 62.300 0.001 0.000 1.000 422 V CB 1.056 32.876 31.823 -0.005 0.000 1.060 422 V HN 0.975 nan 8.190 nan 0.000 0.443 423 G N 1.519 110.329 108.800 0.016 0.000 2.570 423 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.686 423 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.686 423 G C -0.331 174.577 174.900 0.014 0.000 1.257 423 G CA 0.070 45.184 45.100 0.023 0.000 0.846 423 G HN 0.858 nan 8.290 nan 0.000 0.627 424 D N -0.023 120.384 120.400 0.012 0.000 2.264 424 D HA -0.014 4.626 4.640 -0.001 0.000 0.208 424 D C 2.245 178.540 176.300 -0.008 0.000 0.966 424 D CA 1.421 55.419 54.000 -0.003 0.000 0.864 424 D CB 0.135 40.935 40.800 0.000 0.000 0.933 424 D HN 0.663 nan 8.370 nan 0.000 0.499 425 E N 0.526 120.745 120.200 0.031 0.000 2.051 425 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 425 E C 2.111 178.658 176.600 -0.089 0.000 0.991 425 E CA 1.019 57.453 56.400 0.058 0.000 0.799 425 E CB -0.019 29.795 29.700 0.190 0.000 0.748 425 E HN 0.179 nan 8.360 nan 0.000 0.449 426 A N 1.679 124.478 122.820 -0.035 0.000 1.902 426 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 426 A C 2.005 179.453 177.584 -0.227 0.000 1.181 426 A CA 1.353 53.271 52.037 -0.198 0.000 0.623 426 A CB -0.358 18.645 19.000 0.004 0.000 0.818 426 A HN 0.090 nan 8.150 nan 0.000 0.443 427 E N 0.341 120.471 120.200 -0.117 0.000 2.058 427 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 427 E C 1.916 178.446 176.600 -0.117 0.000 0.997 427 E CA 1.428 57.771 56.400 -0.095 0.000 0.801 427 E CB -0.379 29.289 29.700 -0.053 0.000 0.746 427 E HN 0.663 nan 8.360 nan 0.000 0.450 428 K N 0.429 120.755 120.400 -0.124 0.000 2.209 428 K HA -0.011 4.309 4.320 -0.001 0.000 0.204 428 K C 1.841 178.341 176.600 -0.166 0.000 1.048 428 K CA 0.929 57.148 56.287 -0.113 0.000 0.940 428 K CB -0.026 32.428 32.500 -0.076 0.000 0.729 428 K HN 0.014 nan 8.250 nan 0.000 0.451 429 A N 1.027 123.654 122.820 -0.321 0.000 2.252 429 A HA -0.060 4.259 4.320 -0.001 0.000 0.207 429 A C 0.023 177.468 177.584 -0.231 0.000 1.194 429 A CA 0.527 52.324 52.037 -0.400 0.000 0.809 429 A CB -0.316 18.053 19.000 -1.052 0.000 0.814 429 A HN 0.414 nan 8.150 nan 0.000 0.482 430 E N -2.033 118.070 120.200 -0.162 0.000 3.547 430 E HA -0.214 4.136 4.350 -0.001 0.000 0.309 430 E C 0.748 177.305 176.600 -0.072 0.000 0.855 430 E CA 0.680 57.027 56.400 -0.089 0.000 1.122 430 E CB -2.211 27.458 29.700 -0.052 0.000 1.569 430 E HN 0.660 nan 8.360 nan 0.000 0.429 431 L N -0.105 121.057 121.223 -0.100 0.000 2.079 431 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 431 L C 2.487 179.337 176.870 -0.034 0.000 1.081 431 L CA 1.472 56.276 54.840 -0.062 0.000 0.752 431 L CB -0.477 41.537 42.059 -0.074 0.000 0.896 431 L HN 0.232 nan 8.230 nan 0.000 0.433 432 L N 0.570 121.771 121.223 -0.036 0.000 2.017 432 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 432 L C 2.424 179.289 176.870 -0.008 0.000 1.073 432 L CA 2.201 57.029 54.840 -0.019 0.000 0.745 432 L CB -1.089 40.958 42.059 -0.020 0.000 0.894 432 L HN 0.126 nan 8.230 nan 0.000 0.432 433 G N -0.732 108.059 108.800 -0.015 0.000 2.422 433 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 433 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 433 G C 1.577 176.479 174.900 0.004 0.000 1.146 433 G CA 1.020 46.114 45.100 -0.010 0.000 0.769 433 G HN 0.437 nan 8.290 nan 0.000 0.547 434 L N 0.670 121.898 121.223 0.008 0.000 2.156 434 L HA 0.083 4.423 4.340 -0.001 0.000 0.208 434 L C 3.131 180.029 176.870 0.047 0.000 1.095 434 L CA 0.812 55.672 54.840 0.033 0.000 0.770 434 L CB -0.594 41.489 42.059 0.040 0.000 0.914 434 L HN 0.306 nan 8.230 nan 0.000 0.439 435 G N -0.500 108.319 108.800 0.032 0.000 2.404 435 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.215 435 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.215 435 G C 1.533 176.460 174.900 0.045 0.000 1.174 435 G CA 0.664 45.785 45.100 0.036 0.000 0.780 435 G HN 0.270 nan 8.290 nan 0.000 0.537 436 Q N 0.957 120.781 119.800 0.039 0.000 2.119 436 Q HA -0.016 4.324 4.340 -0.001 0.000 0.201 436 Q C 2.657 178.704 176.000 0.078 0.000 0.972 436 Q CA 1.778 57.611 55.803 0.050 0.000 0.847 436 Q CB -0.451 28.308 28.738 0.035 0.000 0.903 436 Q HN 0.366 nan 8.270 nan 0.000 0.433 437 S N 0.178 115.916 115.700 0.063 0.000 2.383 437 S HA -0.146 4.324 4.470 -0.001 0.000 0.229 437 S C 1.581 176.265 174.600 0.141 0.000 1.030 437 S CA 1.163 59.413 58.200 0.082 0.000 1.002 437 S CB -0.424 62.804 63.200 0.048 0.000 0.829 437 S HN 0.419 nan 8.310 nan 0.000 0.467 438 L N 1.931 123.225 121.223 0.118 0.000 2.056 438 L HA 0.046 4.385 4.340 -0.001 0.000 0.207 438 L C 1.885 178.819 176.870 0.107 0.000 1.078 438 L CA 1.440 56.361 54.840 0.135 0.000 0.749 438 L CB -0.659 41.480 42.059 0.133 0.000 0.901 438 L HN 0.289 nan 8.230 nan 0.000 0.433 439 I N -1.658 118.955 120.570 0.071 0.000 2.163 439 I HA -0.389 3.780 4.170 -0.001 0.000 0.243 439 I C 2.401 178.552 176.117 0.056 0.000 1.085 439 I CA 1.884 63.201 61.300 0.029 0.000 1.347 439 I CB -0.508 37.501 38.000 0.017 0.000 1.044 439 I HN 0.323 nan 8.210 nan 0.000 0.408 440 Y N 1.537 121.834 120.300 -0.005 0.000 2.128 440 Y HA -0.312 4.241 4.550 0.005 0.000 0.284 440 Y C 2.877 178.781 175.900 0.007 0.000 1.154 440 Y CA 2.117 60.216 58.100 -0.003 0.000 1.149 440 Y CB -0.173 38.288 38.460 0.002 0.000 0.976 440 Y HN 0.063 nan 8.280 nan 0.000 0.505 441 S N 0.452 116.285 115.700 0.222 0.000 2.370 441 S HA -0.221 4.249 4.470 -0.001 0.000 0.226 441 S C 1.980 176.611 174.600 0.052 0.000 1.033 441 S CA 1.753 60.040 58.200 0.145 0.000 1.011 441 S CB -0.522 62.776 63.200 0.163 0.000 0.852 441 S HN 0.470 nan 8.310 nan 0.000 0.457 442 I N 1.123 121.726 120.570 0.055 0.000 2.179 442 I HA -0.170 4.000 4.170 -0.001 0.000 0.242 442 I C 2.691 178.777 176.117 -0.051 0.000 1.088 442 I CA 1.307 62.627 61.300 0.034 0.000 1.357 442 I CB -0.332 37.669 38.000 0.001 0.000 1.051 442 I HN 0.211 nan 8.210 nan 0.000 0.409 443 E N 1.342 121.473 120.200 -0.115 0.000 2.160 443 E HA -0.276 4.074 4.350 -0.001 0.000 0.195 443 E C 1.773 178.255 176.600 -0.196 0.000 0.991 443 E CA 1.515 57.813 56.400 -0.170 0.000 0.810 443 E CB -0.296 29.269 29.700 -0.225 0.000 0.742 443 E HN 0.335 nan 8.360 nan 0.000 0.466 444 N N -0.626 117.934 118.700 -0.234 0.000 2.396 444 N HA -0.110 4.629 4.740 -0.001 0.000 0.180 444 N C 1.437 176.884 175.510 -0.104 0.000 1.028 444 N CA 1.254 54.186 53.050 -0.197 0.000 0.893 444 N CB -0.184 38.198 38.487 -0.175 0.000 0.967 444 N HN 0.217 nan 8.380 nan 0.000 0.440 445 S N 0.130 115.784 115.700 -0.076 0.000 2.402 445 S HA -0.088 4.382 4.470 -0.001 0.000 0.229 445 S C 0.736 175.295 174.600 -0.068 0.000 1.021 445 S CA 0.576 58.741 58.200 -0.059 0.000 0.974 445 S CB -0.377 62.806 63.200 -0.029 0.000 0.800 445 S HN 0.347 nan 8.310 nan 0.000 0.484 446 K N 0.756 121.115 120.400 -0.068 0.000 3.035 446 K HA -0.144 4.176 4.320 -0.001 0.000 0.262 446 K C -0.912 175.647 176.600 -0.069 0.000 1.024 446 K CA 0.655 56.902 56.287 -0.066 0.000 0.748 446 K CB -2.074 30.386 32.500 -0.066 0.000 1.247 446 K HN 0.515 nan 8.250 nan 0.000 0.482 447 L N -0.010 121.176 121.223 -0.061 0.000 2.371 447 L HA 0.517 4.857 4.340 -0.001 0.000 0.262 447 L C -2.135 174.718 176.870 -0.029 0.000 1.006 447 L CA -2.378 52.417 54.840 -0.074 0.000 0.818 447 L CB 1.939 43.937 42.059 -0.101 0.000 1.354 447 L HN -0.155 nan 8.230 nan 0.000 0.415 448 P HA 0.109 nan 4.420 nan 0.000 0.271 448 P C -0.986 176.439 177.300 0.209 0.000 1.218 448 P CA -0.143 62.995 63.100 0.064 0.000 0.780 448 P CB 1.672 33.391 31.700 0.032 0.000 0.901 449 S N 1.803 117.605 115.700 0.171 0.000 2.546 449 S HA 0.577 5.047 4.470 -0.001 0.000 0.274 449 S C -1.437 172.952 174.600 -0.351 0.000 1.121 449 S CA -0.704 57.547 58.200 0.084 0.000 0.887 449 S CB 0.812 64.114 63.200 0.170 0.000 1.094 449 S HN 0.318 nan 8.310 nan 0.000 0.474 450 L N 3.216 124.013 121.223 -0.711 0.000 2.325 450 L HA 0.723 5.062 4.340 -0.001 0.000 0.278 450 L C -0.425 176.297 176.870 -0.247 0.000 1.023 450 L CA -0.021 54.319 54.840 -0.834 0.000 0.811 450 L CB 1.573 42.824 42.059 -1.346 0.000 1.249 450 L HN 0.764 nan 8.230 nan 0.000 0.431 451 E N 5.237 125.331 120.200 -0.177 0.000 2.210 451 E HA 0.421 4.771 4.350 -0.001 0.000 0.266 451 E C -1.664 174.939 176.600 0.005 0.000 0.883 451 E CA -0.496 55.897 56.400 -0.012 0.000 0.761 451 E CB 1.514 31.184 29.700 -0.049 0.000 1.156 451 E HN 0.662 nan 8.360 nan 0.000 0.412 452 I N 3.138 123.736 120.570 0.047 0.000 2.439 452 I HA 0.169 4.338 4.170 -0.001 0.000 0.285 452 I C -0.245 175.894 176.117 0.038 0.000 1.021 452 I CA -0.597 60.720 61.300 0.028 0.000 1.091 452 I CB 2.085 40.091 38.000 0.010 0.000 1.242 452 I HN 0.265 nan 8.210 nan 0.000 0.439 453 T N 6.535 121.110 114.554 0.035 0.000 2.723 453 T HA 0.278 4.627 4.350 -0.001 0.000 0.297 453 T C 1.531 176.216 174.700 -0.026 0.000 0.925 453 T CA -0.347 61.748 62.100 -0.007 0.000 1.030 453 T CB 0.963 69.812 68.868 -0.032 0.000 0.905 453 T HN 0.314 nan 8.240 nan 0.000 0.502 454 I N 2.400 122.954 120.570 -0.027 0.000 2.235 454 I HA 0.014 4.183 4.170 -0.001 0.000 0.241 454 I C 2.024 178.106 176.117 -0.058 0.000 1.085 454 I CA 1.495 62.772 61.300 -0.039 0.000 1.378 454 I CB -0.421 37.583 38.000 0.007 0.000 1.076 454 I HN 0.590 nan 8.210 nan 0.000 0.415 455 R N -0.131 120.342 120.500 -0.044 0.000 3.319 455 R HA 0.257 4.596 4.340 -0.001 0.000 0.126 455 R C 0.216 176.434 176.300 -0.136 0.000 1.797 455 R CA -0.475 55.593 56.100 -0.054 0.000 1.391 455 R CB 0.291 30.594 30.300 0.004 0.000 1.312 455 R HN 0.034 nan 8.270 nan 0.000 0.455 456 K N 1.720 122.032 120.400 -0.147 0.000 2.276 456 K HA 0.408 4.728 4.320 -0.001 0.000 0.285 456 K C -0.991 175.344 176.600 -0.441 0.000 1.062 456 K CA -0.185 55.923 56.287 -0.298 0.000 0.918 456 K CB 1.740 34.131 32.500 -0.183 0.000 1.055 456 K HN 0.277 nan 8.250 nan 0.000 0.477 457 A N 2.626 124.979 122.820 -0.779 0.000 2.316 457 A HA 0.423 4.743 4.320 -0.001 0.000 0.324 457 A C -0.406 176.674 177.584 -0.839 0.000 1.375 457 A CA -0.491 50.988 52.037 -0.930 0.000 0.882 457 A CB 0.267 18.196 19.000 -1.786 0.000 1.152 457 A HN 0.683 nan 8.150 nan 0.000 0.512 458 S N 1.557 116.954 115.700 -0.505 0.000 2.607 458 S HA 0.928 5.398 4.470 -0.001 0.000 0.273 458 S C 0.058 174.530 174.600 -0.214 0.000 1.148 458 S CA 0.166 58.150 58.200 -0.360 0.000 0.833 458 S CB 1.020 64.040 63.200 -0.300 0.000 1.130 458 S HN 2.643 nan 8.310 nan 0.000 0.470 459 A N 0.802 123.526 122.820 -0.160 0.000 6.647 459 A HA 0.227 4.546 4.320 -0.001 0.000 0.236 459 A C 1.322 178.681 177.584 -0.374 0.000 2.220 459 A CA 0.519 52.451 52.037 -0.175 0.000 0.695 459 A CB -1.917 17.016 19.000 -0.111 0.000 0.942 459 A HN 2.537 nan 8.150 nan 0.000 0.371 460 A N -1.501 121.115 122.820 -0.340 0.000 2.121 460 A HA 0.320 4.640 4.320 -0.001 0.000 0.218 460 A C 2.586 179.975 177.584 -0.325 0.000 1.154 460 A CA 2.339 54.099 52.037 -0.462 0.000 0.679 460 A CB -1.187 17.746 19.000 -0.112 0.000 0.795 460 A HN 2.566 nan 8.150 nan 0.000 0.458 461 A N -0.387 122.308 122.820 -0.208 0.000 1.948 461 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 461 A C 1.964 179.466 177.584 -0.135 0.000 1.177 461 A CA 2.214 54.171 52.037 -0.133 0.000 0.636 461 A CB -0.859 18.081 19.000 -0.101 0.000 0.815 461 A HN 0.795 nan 8.150 nan 0.000 0.449 462 H N -1.417 117.471 119.070 -0.304 0.000 2.387 462 H HA -0.179 4.378 4.556 0.001 0.000 0.299 462 H C 1.614 176.861 175.328 -0.134 0.000 1.099 462 H CA 2.183 58.076 56.048 -0.258 0.000 1.315 462 H CB -0.326 29.247 29.762 -0.314 0.000 1.380 462 H HN 0.546 nan 8.280 nan 0.000 0.513 463 Y N -0.145 119.988 120.300 -0.278 0.000 2.184 463 Y HA -0.110 4.441 4.550 0.001 0.000 0.290 463 Y C 3.016 178.713 175.900 -0.338 0.000 1.129 463 Y CA 1.258 59.153 58.100 -0.342 0.000 1.144 463 Y CB -1.261 37.088 38.460 -0.185 0.000 0.995 463 Y HN 0.301 nan 8.280 nan 0.000 0.513 464 V N -1.297 118.561 119.914 -0.093 0.000 2.667 464 V HA -0.066 4.053 4.120 -0.001 0.000 0.252 464 V C 1.202 177.099 176.094 -0.329 0.000 1.065 464 V CA 0.995 63.210 62.300 -0.141 0.000 1.083 464 V CB -0.948 30.853 31.823 -0.038 0.000 0.692 464 V HN 0.288 nan 8.190 nan 0.000 0.468 465 L N 2.669 123.675 121.223 -0.362 0.000 2.672 465 L HA 0.485 4.825 4.340 -0.001 0.000 0.238 465 L C 1.499 177.608 176.870 -1.269 0.000 1.392 465 L CA 0.385 54.919 54.840 -0.511 0.000 1.238 465 L CB -0.880 41.150 42.059 -0.048 0.000 1.548 465 L HN 0.599 nan 8.230 nan 0.000 0.423 466 G N 0.490 108.140 108.800 -1.916 0.000 2.305 466 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.287 466 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.287 466 G C 0.646 175.011 174.900 -0.891 0.000 1.036 466 G CA 0.067 44.031 45.100 -1.893 0.000 0.887 466 G HN 0.653 nan 8.290 nan 0.000 0.505 467 G N -0.156 108.266 108.800 -0.631 0.000 2.636 467 G HA2 0.511 4.471 3.960 -0.001 0.000 0.246 467 G HA3 0.511 4.471 3.960 -0.001 0.000 0.246 467 G C -0.242 174.458 174.900 -0.334 0.000 1.216 467 G CA -0.220 44.584 45.100 -0.493 0.000 0.854 467 G HN 0.187 nan 8.290 nan 0.000 0.572 468 P HA -0.056 nan 4.420 nan 0.000 0.234 468 P C 0.882 178.098 177.300 -0.139 0.000 1.167 468 P CA 0.742 63.764 63.100 -0.129 0.000 0.763 468 P CB 0.338 32.021 31.700 -0.027 0.000 0.835 469 Q N 0.084 119.774 119.800 -0.184 0.000 2.436 469 Q HA 0.094 4.434 4.340 -0.001 0.000 0.209 469 Q C 1.544 177.430 176.000 -0.191 0.000 0.965 469 Q CA 0.738 56.418 55.803 -0.205 0.000 0.910 469 Q CB -0.894 27.652 28.738 -0.320 0.000 0.980 469 Q HN 0.206 nan 8.270 nan 0.000 0.491 470 G N 0.653 109.340 108.800 -0.189 0.000 2.915 470 G HA2 0.047 4.006 3.960 -0.001 0.000 0.298 470 G HA3 0.047 4.006 3.960 -0.001 0.000 0.298 470 G C 0.072 174.894 174.900 -0.131 0.000 0.837 470 G CA -0.522 44.480 45.100 -0.163 0.000 1.752 470 G HN 0.097 nan 8.290 nan 0.000 0.526 471 N N 1.479 120.110 118.700 -0.116 0.000 2.512 471 N HA -0.069 4.671 4.740 -0.001 0.000 0.183 471 N C 1.448 176.910 175.510 -0.080 0.000 1.073 471 N CA 0.312 53.305 53.050 -0.095 0.000 0.911 471 N CB 0.296 38.729 38.487 -0.091 0.000 0.964 471 N HN 0.349 nan 8.380 nan 0.000 0.447 472 N N -0.856 117.794 118.700 -0.082 0.000 2.325 472 N HA 0.037 4.777 4.740 -0.001 0.000 0.182 472 N C 1.252 176.726 175.510 -0.059 0.000 1.088 472 N CA 0.700 53.709 53.050 -0.068 0.000 0.879 472 N CB 0.546 38.990 38.487 -0.073 0.000 0.983 472 N HN 0.406 nan 8.380 nan 0.000 0.471 473 T N -3.747 110.766 114.554 -0.067 0.000 3.115 473 T HA 0.083 4.433 4.350 -0.001 0.000 0.256 473 T C 0.585 175.252 174.700 -0.056 0.000 0.970 473 T CA -0.300 61.770 62.100 -0.049 0.000 1.010 473 T CB 0.151 68.994 68.868 -0.043 0.000 1.151 473 T HN -0.063 nan 8.240 nan 0.000 0.479 474 N N 2.739 121.381 118.700 -0.097 0.000 2.420 474 N HA 0.106 4.846 4.740 -0.001 0.000 0.262 474 N C 1.580 177.014 175.510 -0.126 0.000 1.144 474 N CA 0.213 53.182 53.050 -0.134 0.000 0.952 474 N CB 1.804 40.195 38.487 -0.161 0.000 1.081 474 N HN 0.330 nan 8.380 nan 0.000 0.480 475 V N 2.808 122.605 119.914 -0.195 0.000 2.453 475 V HA 0.130 4.250 4.120 -0.001 0.000 0.247 475 V C 0.355 176.425 176.094 -0.040 0.000 1.048 475 V CA 1.114 63.319 62.300 -0.159 0.000 1.049 475 V CB -1.141 30.554 31.823 -0.214 0.000 0.672 475 V HN 0.593 nan 8.190 nan 0.000 0.457 476 F N -1.672 118.265 119.950 -0.021 0.000 2.944 476 F HA 0.735 5.262 4.527 -0.000 0.000 0.324 476 F C -0.890 174.877 175.800 -0.055 0.000 1.151 476 F CA -0.753 57.226 58.000 -0.036 0.000 0.883 476 F CB 0.513 39.517 39.000 0.006 0.000 1.341 476 F HN 0.089 nan 8.300 nan 0.000 0.456 477 S N 1.110 116.964 115.700 0.256 0.000 2.549 477 S HA 0.928 5.397 4.470 -0.001 0.000 0.280 477 S C -1.007 173.680 174.600 0.145 0.000 1.109 477 S CA -0.502 57.782 58.200 0.140 0.000 0.905 477 S CB 1.985 65.242 63.200 0.096 0.000 1.081 477 S HN 1.368 nan 8.310 nan 0.000 0.477 478 I N -1.391 119.229 120.570 0.085 0.000 3.042 478 I HA 1.015 5.184 4.170 -0.001 0.000 0.310 478 I C -0.140 175.971 176.117 -0.009 0.000 1.117 478 I CA -1.189 60.101 61.300 -0.017 0.000 1.003 478 I CB 1.942 39.860 38.000 -0.136 0.000 1.228 478 I HN 0.909 nan 8.210 nan 0.000 0.443 479 G N 0.879 109.649 108.800 -0.050 0.000 2.690 479 G HA2 0.587 4.547 3.960 -0.001 0.000 0.293 479 G HA3 0.587 4.547 3.960 -0.001 0.000 0.293 479 G C -0.771 174.089 174.900 -0.067 0.000 1.399 479 G CA -0.349 44.747 45.100 -0.008 0.000 0.890 479 G HN 0.922 nan 8.290 nan 0.000 0.485 480 T N -1.873 112.645 114.554 -0.061 0.000 2.824 480 T HA 0.489 4.839 4.350 -0.001 0.000 0.277 480 T C 1.765 176.436 174.700 -0.049 0.000 0.975 480 T CA 0.537 62.587 62.100 -0.083 0.000 0.966 480 T CB 1.359 70.163 68.868 -0.107 0.000 1.054 480 T HN 1.055 nan 8.240 nan 0.000 0.533 481 G N -0.504 108.271 108.800 -0.042 0.000 2.535 481 G HA2 0.146 4.106 3.960 -0.001 0.000 0.218 481 G HA3 0.146 4.106 3.960 -0.001 0.000 0.218 481 G C 1.328 176.230 174.900 0.003 0.000 1.122 481 G CA 0.395 45.490 45.100 -0.008 0.000 0.769 481 G HN 1.105 nan 8.290 nan 0.000 0.549 482 A N -0.342 122.467 122.820 -0.019 0.000 2.275 482 A HA 0.344 4.663 4.320 -0.001 0.000 0.212 482 A C 1.450 179.030 177.584 -0.006 0.000 1.201 482 A CA 0.465 52.492 52.037 -0.017 0.000 0.843 482 A CB -0.879 18.086 19.000 -0.057 0.000 0.873 482 A HN 0.653 nan 8.150 nan 0.000 0.492 483 C N 0.568 119.872 119.300 0.007 0.000 2.520 483 C HA 0.722 5.181 4.460 -0.001 0.000 0.376 483 C C -0.191 174.836 174.990 0.062 0.000 1.268 483 C CA -0.527 58.501 59.018 0.018 0.000 2.414 483 C CB 0.370 28.150 27.740 0.067 0.000 2.521 483 C HN 0.674 nan 8.230 nan 0.000 0.618 484 E N 1.000 121.207 120.200 0.011 0.000 2.363 484 E HA 0.493 4.843 4.350 -0.001 0.000 0.281 484 E C -2.289 174.194 176.600 -0.195 0.000 0.953 484 E CA -0.626 55.814 56.400 0.067 0.000 0.778 484 E CB 0.972 30.760 29.700 0.147 0.000 1.220 484 E HN 0.698 nan 8.360 nan 0.000 0.431 485 Y N 1.234 121.389 120.300 -0.241 0.000 2.376 485 Y HA 0.563 5.112 4.550 -0.002 0.000 0.340 485 Y C -0.928 174.832 175.900 -0.234 0.000 0.965 485 Y CA -0.482 57.399 58.100 -0.365 0.000 1.078 485 Y CB 1.726 40.056 38.460 -0.218 0.000 1.193 485 Y HN 0.580 nan 8.280 nan 0.000 0.452 486 Y N -0.905 119.386 120.300 -0.015 0.000 2.638 486 Y HA 0.350 4.900 4.550 0.000 0.000 0.334 486 Y C -0.140 175.738 175.900 -0.038 0.000 1.182 486 Y CA -1.320 56.755 58.100 -0.043 0.000 1.102 486 Y CB 0.205 38.663 38.460 -0.005 0.000 1.343 486 Y HN 0.306 nan 8.280 nan 0.000 0.463 487 V N 2.746 122.771 119.914 0.186 0.000 2.332 487 V HA -0.147 3.973 4.120 -0.001 0.000 0.248 487 V C 0.465 176.692 176.094 0.221 0.000 1.055 487 V CA 2.773 65.160 62.300 0.146 0.000 1.038 487 V CB -0.333 31.571 31.823 0.134 0.000 0.651 487 V HN 0.837 nan 8.190 nan 0.000 0.450 488 M N -3.025 116.806 119.600 0.384 0.000 2.895 488 M HA 0.559 5.039 4.480 -0.001 0.000 0.271 488 M C -3.172 173.229 176.300 0.169 0.000 1.174 488 M CA -1.725 53.761 55.300 0.310 0.000 0.816 488 M CB 1.361 34.050 32.600 0.148 0.000 1.647 488 M HN -0.308 nan 8.290 nan 0.000 0.506 489 P HA 0.131 nan 4.420 nan 0.000 0.266 489 P C 0.743 177.898 177.300 -0.242 0.000 1.195 489 P CA 0.489 63.404 63.100 -0.308 0.000 0.768 489 P CB 0.523 32.112 31.700 -0.185 0.000 0.838 490 G N 2.552 111.167 108.800 -0.309 0.000 2.469 490 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.219 490 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.219 490 G C 1.144 175.796 174.900 -0.414 0.000 1.150 490 G CA 0.815 45.575 45.100 -0.566 0.000 0.763 490 G HN 0.486 nan 8.290 nan 0.000 0.561 491 E N 0.081 120.139 120.200 -0.236 0.000 2.072 491 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 491 E C 2.799 179.320 176.600 -0.132 0.000 0.985 491 E CA 1.550 57.858 56.400 -0.154 0.000 0.801 491 E CB -0.519 29.118 29.700 -0.104 0.000 0.750 491 E HN 0.351 nan 8.360 nan 0.000 0.452 492 T N 0.621 115.099 114.554 -0.126 0.000 2.746 492 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 492 T C 2.004 176.645 174.700 -0.098 0.000 1.039 492 T CA 1.311 63.360 62.100 -0.084 0.000 1.142 492 T CB -0.393 68.444 68.868 -0.053 0.000 0.866 492 T HN 0.284 nan 8.240 nan 0.000 0.444 493 A N 1.529 124.246 122.820 -0.172 0.000 1.902 493 A HA 0.184 4.504 4.320 -0.001 0.000 0.217 493 A C 2.671 180.155 177.584 -0.166 0.000 1.181 493 A CA 1.779 53.703 52.037 -0.189 0.000 0.623 493 A CB -1.136 17.628 19.000 -0.394 0.000 0.818 493 A HN 0.506 nan 8.150 nan 0.000 0.443 494 A N 0.240 122.955 122.820 -0.175 0.000 1.902 494 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 494 A C 1.945 179.565 177.584 0.060 0.000 1.181 494 A CA 1.760 53.794 52.037 -0.005 0.000 0.623 494 A CB -0.886 18.091 19.000 -0.038 0.000 0.818 494 A HN 0.728 nan 8.150 nan 0.000 0.443 495 N N -0.065 118.631 118.700 -0.007 0.000 2.058 495 N HA -0.116 4.623 4.740 -0.001 0.000 0.191 495 N C 2.028 177.532 175.510 -0.010 0.000 1.037 495 N CA 1.069 54.122 53.050 0.004 0.000 0.848 495 N CB -0.256 38.221 38.487 -0.016 0.000 1.021 495 N HN 0.491 nan 8.380 nan 0.000 0.422 496 A N 0.947 123.743 122.820 -0.040 0.000 1.933 496 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 496 A C 2.122 179.647 177.584 -0.098 0.000 1.175 496 A CA 1.335 53.341 52.037 -0.052 0.000 0.628 496 A CB -0.419 18.555 19.000 -0.043 0.000 0.814 496 A HN 0.259 nan 8.150 nan 0.000 0.444 497 M N -2.406 117.096 119.600 -0.163 0.000 2.236 497 M HA 0.047 4.526 4.480 -0.001 0.000 0.266 497 M C 0.953 176.951 176.300 -0.504 0.000 1.070 497 M CA 1.648 56.714 55.300 -0.391 0.000 1.137 497 M CB -0.140 32.124 32.600 -0.560 0.000 1.378 497 M HN 0.368 nan 8.290 nan 0.000 0.426 498 Y N -1.222 119.060 120.300 -0.029 0.000 2.527 498 Y HA 0.307 4.857 4.550 -0.000 0.000 0.247 498 Y C 2.308 178.195 175.900 -0.023 0.000 1.138 498 Y CA 0.310 58.395 58.100 -0.025 0.000 1.228 498 Y CB -0.527 37.914 38.460 -0.032 0.000 1.252 498 Y HN 0.359 nan 8.280 nan 0.000 0.531 499 S N 0.376 116.126 115.700 0.083 0.000 2.368 499 S HA -0.194 4.276 4.470 -0.001 0.000 0.225 499 S C 1.946 176.569 174.600 0.038 0.000 1.030 499 S CA 1.060 59.290 58.200 0.050 0.000 0.999 499 S CB -0.275 62.937 63.200 0.021 0.000 0.844 499 S HN 0.407 nan 8.310 nan 0.000 0.459 500 R N 1.466 121.981 120.500 0.025 0.000 2.092 500 R HA 0.078 4.417 4.340 -0.001 0.000 0.231 500 R C 2.463 178.782 176.300 0.033 0.000 1.119 500 R CA 1.401 57.512 56.100 0.018 0.000 0.970 500 R CB -0.271 30.031 30.300 0.003 0.000 0.864 500 R HN 0.466 nan 8.270 nan 0.000 0.440 501 K N 0.653 121.089 120.400 0.059 0.000 2.097 501 K HA -0.053 4.266 4.320 -0.001 0.000 0.205 501 K C 2.049 178.688 176.600 0.066 0.000 1.050 501 K CA 0.905 57.240 56.287 0.080 0.000 0.938 501 K CB -0.055 32.539 32.500 0.158 0.000 0.718 501 K HN 0.097 nan 8.250 nan 0.000 0.442 502 L N 0.359 121.621 121.223 0.066 0.000 2.083 502 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 502 L C 2.194 179.076 176.870 0.021 0.000 1.083 502 L CA 0.860 55.721 54.840 0.035 0.000 0.752 502 L CB -0.283 41.794 42.059 0.030 0.000 0.899 502 L HN 0.015 nan 8.230 nan 0.000 0.433 503 V N 0.130 120.057 119.914 0.022 0.000 2.323 503 V HA -0.260 3.860 4.120 -0.001 0.000 0.244 503 V C 3.036 179.138 176.094 0.013 0.000 1.041 503 V CA 2.240 64.549 62.300 0.014 0.000 1.025 503 V CB -0.844 30.986 31.823 0.012 0.000 0.656 503 V HN 0.507 nan 8.190 nan 0.000 0.451 504 K N 0.211 120.621 120.400 0.016 0.000 2.152 504 K HA 0.117 4.437 4.320 -0.001 0.000 0.206 504 K C 1.325 177.933 176.600 0.013 0.000 1.048 504 K CA 1.331 57.627 56.287 0.014 0.000 0.933 504 K CB -0.857 31.653 32.500 0.017 0.000 0.721 504 K HN 0.668 nan 8.250 nan 0.000 0.447 514 P HA -0.008 nan 4.420 nan 0.000 0.218 514 P C 1.016 178.233 177.300 -0.137 0.000 1.148 514 P CA 1.312 64.365 63.100 -0.078 0.000 0.822 514 P CB 0.074 31.744 31.700 -0.050 0.000 0.784 515 I N -1.403 119.075 120.570 -0.153 0.000 2.286 515 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 515 I C 2.226 178.133 176.117 -0.352 0.000 1.104 515 I CA 1.133 62.263 61.300 -0.283 0.000 1.397 515 I CB -0.494 37.412 38.000 -0.157 0.000 1.072 515 I HN -0.148 nan 8.210 nan 0.000 0.417 516 I N 0.891 121.341 120.570 -0.200 0.000 2.208 516 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 516 I C 2.674 178.689 176.117 -0.171 0.000 1.097 516 I CA 1.728 62.930 61.300 -0.163 0.000 1.363 516 I CB -0.878 37.064 38.000 -0.097 0.000 1.051 516 I HN 0.268 nan 8.210 nan 0.000 0.413 517 G N 0.709 109.417 108.800 -0.153 0.000 2.418 517 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 517 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 517 G C 1.726 176.531 174.900 -0.160 0.000 1.158 517 G CA 0.608 45.632 45.100 -0.126 0.000 0.771 517 G HN 0.318 nan 8.290 nan 0.000 0.545 518 K N -0.367 119.878 120.400 -0.259 0.000 2.097 518 K HA 0.012 4.331 4.320 -0.001 0.000 0.206 518 K C 2.652 179.076 176.600 -0.293 0.000 1.049 518 K CA 1.223 57.323 56.287 -0.312 0.000 0.933 518 K CB -0.219 31.944 32.500 -0.560 0.000 0.717 518 K HN 0.326 nan 8.250 nan 0.000 0.442 519 M N 0.695 120.069 119.600 -0.376 0.000 2.099 519 M HA -0.155 4.325 4.480 -0.001 0.000 0.262 519 M C 1.686 177.926 176.300 -0.100 0.000 1.067 519 M CA 1.323 56.517 55.300 -0.177 0.000 1.124 519 M CB -0.286 32.220 32.600 -0.156 0.000 1.353 519 M HN 0.110 nan 8.290 nan 0.000 0.410 520 N N 0.544 119.182 118.700 -0.103 0.000 2.188 520 N HA -0.130 4.610 4.740 -0.001 0.000 0.184 520 N C 1.173 176.653 175.510 -0.050 0.000 1.018 520 N CA 1.224 54.232 53.050 -0.071 0.000 0.858 520 N CB -0.450 37.999 38.487 -0.064 0.000 0.989 520 N HN 0.302 nan 8.380 nan 0.000 0.426 521 D N 1.016 121.388 120.400 -0.047 0.000 2.104 521 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 521 D C 1.941 178.251 176.300 0.017 0.000 0.994 521 D CA 0.730 54.721 54.000 -0.014 0.000 0.830 521 D CB -0.216 40.578 40.800 -0.011 0.000 0.959 521 D HN 0.270 nan 8.370 nan 0.000 0.452 522 M N -0.014 119.597 119.600 0.018 0.000 2.099 522 M HA -0.125 4.354 4.480 -0.001 0.000 0.262 522 M C 2.012 178.294 176.300 -0.030 0.000 1.067 522 M CA 1.316 56.639 55.300 0.038 0.000 1.124 522 M CB -0.025 32.580 32.600 0.009 0.000 1.353 522 M HN -0.072 nan 8.290 nan 0.000 0.410 523 I N 0.182 120.695 120.570 -0.095 0.000 2.163 523 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 523 I C 2.561 178.667 176.117 -0.018 0.000 1.085 523 I CA 1.481 62.717 61.300 -0.106 0.000 1.347 523 I CB -0.546 37.395 38.000 -0.098 0.000 1.044 523 I HN 0.428 nan 8.210 nan 0.000 0.408 524 Q N 0.802 120.599 119.800 -0.005 0.000 2.079 524 Q HA -0.212 4.128 4.340 -0.001 0.000 0.200 524 Q C 2.207 178.223 176.000 0.027 0.000 0.974 524 Q CA 1.783 57.589 55.803 0.004 0.000 0.840 524 Q CB -0.301 28.434 28.738 -0.007 0.000 0.898 524 Q HN 0.451 nan 8.270 nan 0.000 0.430 525 M N -1.265 118.373 119.600 0.064 0.000 2.117 525 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 525 M C 1.453 177.804 176.300 0.085 0.000 1.065 525 M CA 1.596 56.934 55.300 0.064 0.000 1.114 525 M CB -0.176 32.487 32.600 0.105 0.000 1.361 525 M HN 0.360 nan 8.290 nan 0.000 0.408 526 Y N -0.093 120.169 120.300 -0.064 0.000 2.207 526 Y HA -0.258 4.292 4.550 -0.000 0.000 0.287 526 Y C 2.482 178.339 175.900 -0.071 0.000 1.156 526 Y CA 1.718 59.778 58.100 -0.065 0.000 1.182 526 Y CB -0.501 37.901 38.460 -0.098 0.000 0.979 526 Y HN 0.300 nan 8.280 nan 0.000 0.521 527 T N -0.470 114.128 114.554 0.073 0.000 2.701 527 T HA -0.177 4.173 4.350 -0.001 0.000 0.263 527 T C 1.237 175.927 174.700 -0.017 0.000 1.040 527 T CA 1.620 63.732 62.100 0.021 0.000 1.147 527 T CB -0.405 68.465 68.868 0.005 0.000 0.865 527 T HN 0.285 nan 8.240 nan 0.000 0.426 528 D N 1.279 121.642 120.400 -0.063 0.000 2.123 528 D HA -0.048 4.591 4.640 -0.001 0.000 0.196 528 D C 1.799 177.909 176.300 -0.317 0.000 0.992 528 D CA 1.116 55.031 54.000 -0.141 0.000 0.833 528 D CB -0.149 40.562 40.800 -0.147 0.000 0.954 528 D HN 0.360 nan 8.370 nan 0.000 0.455 529 K N 0.135 120.298 120.400 -0.395 0.000 2.476 529 K HA 0.101 4.420 4.320 -0.001 0.000 0.196 529 K C 1.149 177.624 176.600 -0.209 0.000 1.025 529 K CA 0.118 55.965 56.287 -0.734 0.000 1.138 529 K CB 0.413 32.566 32.500 -0.578 0.000 0.860 529 K HN 0.066 nan 8.250 nan 0.000 0.515 530 S N -0.506 115.176 115.700 -0.030 0.000 2.603 530 S HA 0.197 4.667 4.470 -0.001 0.000 0.232 530 S C 0.492 175.190 174.600 0.162 0.000 1.016 530 S CA -0.670 57.623 58.200 0.155 0.000 0.976 530 S CB 0.337 63.724 63.200 0.311 0.000 0.921 530 S HN -0.001 nan 8.310 nan 0.000 0.516 531 R N 2.562 123.126 120.500 0.107 0.000 2.590 531 R HA 0.269 4.609 4.340 -0.001 0.000 0.274 531 R C -1.887 174.489 176.300 0.128 0.000 1.061 531 R CA -2.097 54.069 56.100 0.109 0.000 1.081 531 R CB -0.661 29.686 30.300 0.078 0.000 0.984 531 R HN 0.111 nan 8.270 nan 0.000 0.448 532 P HA -0.238 nan 4.420 nan 0.000 0.217 532 P C 1.134 178.456 177.300 0.036 0.000 1.158 532 P CA 1.634 64.771 63.100 0.060 0.000 0.887 532 P CB 0.194 31.917 31.700 0.038 0.000 0.792 533 K N -1.682 118.748 120.400 0.050 0.000 2.057 533 K HA -0.216 4.104 4.320 -0.001 0.000 0.207 533 K C 2.280 178.908 176.600 0.048 0.000 1.049 533 K CA 1.301 57.609 56.287 0.035 0.000 0.931 533 K CB -0.751 31.774 32.500 0.043 0.000 0.714 533 K HN 0.018 nan 8.250 nan 0.000 0.440 534 Y N 0.934 121.222 120.300 -0.020 0.000 2.165 534 Y HA -0.327 4.222 4.550 -0.000 0.000 0.286 534 Y C 2.232 178.101 175.900 -0.052 0.000 1.155 534 Y CA 1.752 59.837 58.100 -0.025 0.000 1.164 534 Y CB -0.376 38.077 38.460 -0.012 0.000 0.978 534 Y HN 0.186 nan 8.280 nan 0.000 0.513 535 C N -1.125 118.212 119.300 0.061 0.000 2.413 535 C HA -0.196 4.264 4.460 -0.001 0.000 0.276 535 C C 2.840 177.703 174.990 -0.212 0.000 1.248 535 C CA 1.875 60.816 59.018 -0.129 0.000 1.742 535 C CB -1.439 26.155 27.740 -0.243 0.000 2.017 535 C HN 0.655 nan 8.230 nan 0.000 0.481 536 T N -0.205 114.264 114.554 -0.142 0.000 2.942 536 T HA -0.091 4.259 4.350 -0.001 0.000 0.265 536 T C 1.634 176.321 174.700 -0.022 0.000 1.062 536 T CA 1.228 63.271 62.100 -0.096 0.000 1.139 536 T CB -0.225 68.597 68.868 -0.076 0.000 0.883 536 T HN 0.611 nan 8.240 nan 0.000 0.468 537 E N 0.273 120.419 120.200 -0.091 0.000 2.118 537 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 537 E C 1.947 178.452 176.600 -0.159 0.000 0.992 537 E CA 0.873 57.197 56.400 -0.128 0.000 0.804 537 E CB 0.123 29.692 29.700 -0.218 0.000 0.741 537 E HN 0.228 nan 8.360 nan 0.000 0.458 538 K N -0.890 119.381 120.400 -0.214 0.000 2.426 538 K HA 0.086 4.405 4.320 -0.001 0.000 0.193 538 K C 1.147 177.831 176.600 0.140 0.000 1.028 538 K CA 0.756 56.955 56.287 -0.147 0.000 1.047 538 K CB 0.870 33.200 32.500 -0.283 0.000 0.821 538 K HN 0.270 nan 8.250 nan 0.000 0.513 539 G N 1.718 110.633 108.800 0.192 0.000 2.143 539 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.249 539 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.249 539 G C 0.934 175.776 174.900 -0.097 0.000 0.981 539 G CA 0.674 45.813 45.100 0.066 0.000 0.665 539 G HN 0.281 nan 8.290 nan 0.000 0.528 540 M N -1.034 118.465 119.600 -0.169 0.000 2.202 540 M HA 0.102 4.582 4.480 -0.001 0.000 0.262 540 M C 1.254 177.326 176.300 -0.380 0.000 1.063 540 M CA 1.710 56.835 55.300 -0.291 0.000 1.097 540 M CB 0.040 32.321 32.600 -0.532 0.000 1.382 540 M HN 0.351 nan 8.290 nan 0.000 0.413 541 V N 0.287 119.967 119.914 -0.390 0.000 2.709 541 V HA 0.154 4.274 4.120 -0.001 0.000 0.308 541 V C -0.173 175.833 176.094 -0.146 0.000 1.062 541 V CA -0.607 61.560 62.300 -0.221 0.000 0.901 541 V CB 1.899 33.580 31.823 -0.238 0.000 1.003 541 V HN 0.153 nan 8.190 nan 0.000 0.425 542 D N 3.429 123.776 120.400 -0.088 0.000 2.144 542 D HA 0.002 4.642 4.640 -0.001 0.000 0.200 542 D C 0.318 176.549 176.300 -0.115 0.000 0.978 542 D CA 1.281 55.209 54.000 -0.120 0.000 0.833 542 D CB 0.666 41.414 40.800 -0.087 0.000 0.961 542 D HN 0.634 nan 8.370 nan 0.000 0.470 543 E N -0.271 119.862 120.200 -0.112 0.000 2.321 543 E HA 0.245 4.595 4.350 -0.001 0.000 0.278 543 E C -1.428 175.075 176.600 -0.162 0.000 0.902 543 E CA -0.546 55.768 56.400 -0.143 0.000 0.758 543 E CB 1.726 31.314 29.700 -0.187 0.000 1.213 543 E HN -0.243 nan 8.360 nan 0.000 0.426 544 I N 4.800 125.282 120.570 -0.146 0.000 2.352 544 I HA 0.260 4.429 4.170 -0.001 0.000 0.290 544 I C 0.123 176.116 176.117 -0.207 0.000 1.036 544 I CA -0.623 60.589 61.300 -0.148 0.000 1.336 544 I CB 0.360 38.296 38.000 -0.106 0.000 1.407 544 I HN 0.409 nan 8.210 nan 0.000 0.497 545 V N 3.325 123.093 119.914 -0.243 0.000 2.667 545 V HA 0.600 4.720 4.120 -0.001 0.000 0.308 545 V C -0.081 175.921 176.094 -0.153 0.000 1.048 545 V CA -0.982 61.152 62.300 -0.276 0.000 0.928 545 V CB 2.043 33.544 31.823 -0.537 0.000 1.004 545 V HN 0.521 nan 8.190 nan 0.000 0.444 546 D N 3.510 123.874 120.400 -0.059 0.000 2.382 546 D HA 0.177 4.817 4.640 -0.001 0.000 0.240 546 D C 1.255 177.521 176.300 -0.057 0.000 1.146 546 D CA -0.270 53.749 54.000 0.030 0.000 0.897 546 D CB 0.821 41.729 40.800 0.180 0.000 1.197 546 D HN 0.497 nan 8.370 nan 0.000 0.432 547 M N 0.758 120.261 119.600 -0.161 0.000 2.144 547 M HA -0.144 4.336 4.480 -0.001 0.000 0.260 547 M C 1.839 178.014 176.300 -0.207 0.000 1.067 547 M CA 1.496 56.582 55.300 -0.355 0.000 1.095 547 M CB -1.467 30.565 32.600 -0.945 0.000 1.365 547 M HN 0.468 nan 8.290 nan 0.000 0.406 548 T N -2.955 111.557 114.554 -0.069 0.000 3.148 548 T HA 0.051 4.401 4.350 -0.001 0.000 0.253 548 T C 1.336 176.064 174.700 0.046 0.000 1.134 548 T CA 0.504 62.614 62.100 0.017 0.000 1.051 548 T CB 0.049 68.982 68.868 0.109 0.000 0.959 548 T HN 0.228 nan 8.240 nan 0.000 0.525 549 E N 0.524 120.749 120.200 0.042 0.000 2.489 549 E HA 0.203 4.552 4.350 -0.001 0.000 0.204 549 E C 2.010 178.669 176.600 0.098 0.000 1.006 549 E CA 0.078 56.545 56.400 0.111 0.000 0.936 549 E CB 0.475 30.259 29.700 0.140 0.000 1.002 549 E HN 0.391 nan 8.360 nan 0.000 0.488 550 V N 1.259 121.161 119.914 -0.021 0.000 2.295 550 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 550 V C 2.619 178.708 176.094 -0.008 0.000 1.049 550 V CA 2.141 64.410 62.300 -0.052 0.000 1.024 550 V CB -0.464 31.291 31.823 -0.115 0.000 0.648 550 V HN 0.176 nan 8.190 nan 0.000 0.447 551 R N 0.517 120.991 120.500 -0.044 0.000 2.073 551 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 551 R C -0.015 176.301 176.300 0.027 0.000 1.134 551 R CA 1.885 57.947 56.100 -0.064 0.000 0.952 551 R CB -1.390 28.857 30.300 -0.088 0.000 0.850 551 R HN 0.404 nan 8.270 nan 0.000 0.433 552 P HA -0.189 nan 4.420 nan 0.000 0.216 552 P C 0.541 177.889 177.300 0.080 0.000 1.154 552 P CA 1.476 64.637 63.100 0.103 0.000 0.865 552 P CB -0.146 31.637 31.700 0.138 0.000 0.789 553 Y N -1.126 119.165 120.300 -0.015 0.000 2.200 553 Y HA -0.107 4.442 4.550 -0.001 0.000 0.290 553 Y C 2.341 178.263 175.900 0.037 0.000 1.137 553 Y CA 0.948 59.047 58.100 -0.003 0.000 1.163 553 Y CB -1.145 37.322 38.460 0.011 0.000 0.988 553 Y HN -0.106 nan 8.280 nan 0.000 0.518 554 I N -0.310 120.362 120.570 0.170 0.000 2.208 554 I HA -0.384 3.785 4.170 -0.001 0.000 0.245 554 I C 2.248 178.449 176.117 0.139 0.000 1.097 554 I CA 1.527 62.917 61.300 0.149 0.000 1.363 554 I CB -0.436 37.575 38.000 0.018 0.000 1.051 554 I HN 0.302 nan 8.210 nan 0.000 0.413 555 Q N 0.445 120.275 119.800 0.051 0.000 2.050 555 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 555 Q C 2.497 178.399 176.000 -0.162 0.000 0.980 555 Q CA 1.823 57.635 55.803 0.015 0.000 0.840 555 Q CB -0.308 28.467 28.738 0.061 0.000 0.898 555 Q HN 0.589 nan 8.270 nan 0.000 0.424 556 A N 0.738 123.343 122.820 -0.359 0.000 1.865 556 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 556 A C 1.907 179.069 177.584 -0.703 0.000 1.191 556 A CA 1.460 52.859 52.037 -1.065 0.000 0.623 556 A CB -0.950 17.432 19.000 -1.029 0.000 0.826 556 A HN 0.487 nan 8.150 nan 0.000 0.444 557 F N 1.514 121.268 119.950 -0.326 0.000 2.069 557 F HA -0.192 4.334 4.527 -0.003 0.000 0.298 557 F C 2.413 178.124 175.800 -0.149 0.000 1.113 557 F CA 2.526 60.428 58.000 -0.163 0.000 1.214 557 F CB -0.846 38.111 39.000 -0.071 0.000 0.978 557 F HN 0.209 nan 8.300 nan 0.000 0.474 558 T N 0.283 114.694 114.554 -0.239 0.000 2.777 558 T HA -0.159 4.191 4.350 -0.001 0.000 0.266 558 T C 1.745 176.358 174.700 -0.144 0.000 1.040 558 T CA 1.649 63.610 62.100 -0.231 0.000 1.141 558 T CB -0.352 68.579 68.868 0.105 0.000 0.868 558 T HN 0.408 nan 8.240 nan 0.000 0.444 559 E N 1.143 121.255 120.200 -0.147 0.000 2.106 559 E HA -0.041 4.308 4.350 -0.001 0.000 0.192 559 E C 2.585 179.162 176.600 -0.037 0.000 0.984 559 E CA 0.911 57.302 56.400 -0.016 0.000 0.806 559 E CB -0.200 29.569 29.700 0.115 0.000 0.750 559 E HN 0.484 nan 8.360 nan 0.000 0.458 560 A N 1.688 124.328 122.820 -0.301 0.000 1.902 560 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 560 A C 2.428 179.919 177.584 -0.154 0.000 1.181 560 A CA 1.622 53.574 52.037 -0.142 0.000 0.623 560 A CB -0.572 18.316 19.000 -0.188 0.000 0.818 560 A HN 0.282 nan 8.150 nan 0.000 0.443 561 A N -1.889 120.693 122.820 -0.397 0.000 1.972 561 A HA -0.085 4.235 4.320 -0.001 0.000 0.219 561 A C 1.879 179.196 177.584 -0.445 0.000 1.169 561 A CA 1.462 53.196 52.037 -0.505 0.000 0.635 561 A CB -0.647 17.829 19.000 -0.874 0.000 0.810 561 A HN 0.622 nan 8.150 nan 0.000 0.446 562 Y N -0.940 119.189 120.300 -0.285 0.000 2.457 562 Y HA 0.106 4.659 4.550 0.004 0.000 0.263 562 Y C 2.329 178.182 175.900 -0.077 0.000 1.164 562 Y CA 0.607 58.513 58.100 -0.324 0.000 1.274 562 Y CB 0.114 38.399 38.460 -0.291 0.000 1.097 562 Y HN 0.496 nan 8.280 nan 0.000 0.523 563 Q N 0.715 120.616 119.800 0.168 0.000 2.083 563 Q HA -0.143 4.197 4.340 -0.001 0.000 0.198 563 Q C 0.284 176.504 176.000 0.367 0.000 0.969 563 Q CA 1.361 57.339 55.803 0.292 0.000 0.838 563 Q CB 0.259 29.158 28.738 0.268 0.000 0.900 563 Q HN 0.205 nan 8.270 nan 0.000 0.436 564 N N 0.202 119.050 118.700 0.246 0.000 2.666 564 N HA 0.228 4.968 4.740 -0.001 0.000 0.253 564 N C -2.923 172.628 175.510 0.070 0.000 1.621 564 N CA -1.463 51.748 53.050 0.267 0.000 0.785 564 N CB 1.229 39.863 38.487 0.245 0.000 1.332 564 N HN 0.065 nan 8.380 nan 0.000 0.514 565 P HA 0.168 nan 4.420 nan 0.000 0.275 565 P C -0.021 177.202 177.300 -0.127 0.000 1.228 565 P CA -0.008 62.984 63.100 -0.179 0.000 0.786 565 P CB 1.137 32.597 31.700 -0.399 0.000 0.927 566 Q N -0.313 119.385 119.800 -0.170 0.000 2.319 566 Q HA 0.201 4.540 4.340 -0.001 0.000 0.202 566 Q C 0.377 176.330 176.000 -0.080 0.000 0.896 566 Q CA 0.414 56.124 55.803 -0.155 0.000 0.942 566 Q CB 0.352 28.975 28.738 -0.191 0.000 1.083 566 Q HN 0.392 nan 8.270 nan 0.000 0.510 567 S N -0.276 115.376 115.700 -0.080 0.000 2.537 567 S HA 0.718 5.187 4.470 -0.001 0.000 0.270 567 S C -1.397 173.181 174.600 -0.038 0.000 1.142 567 S CA -0.581 57.590 58.200 -0.048 0.000 0.870 567 S CB 0.993 64.153 63.200 -0.068 0.000 1.112 567 S HN 0.113 nan 8.310 nan 0.000 0.466 568 I N 2.023 122.609 120.570 0.028 0.000 2.647 568 I HA 0.506 4.675 4.170 -0.001 0.000 0.295 568 I C -0.774 175.373 176.117 0.049 0.000 1.078 568 I CA -0.739 60.618 61.300 0.096 0.000 1.048 568 I CB 2.067 40.210 38.000 0.239 0.000 1.239 568 I HN 0.638 nan 8.210 nan 0.000 0.421 569 C N 7.454 126.776 119.300 0.036 0.000 2.322 569 C HA 0.578 5.037 4.460 -0.001 0.000 0.324 569 C C -2.394 172.583 174.990 -0.022 0.000 1.249 569 C CA -1.823 57.187 59.018 -0.014 0.000 1.453 569 C CB 0.672 28.382 27.740 -0.051 0.000 2.145 569 C HN 0.480 nan 8.230 nan 0.000 0.466 570 P HA 0.066 nan 4.420 nan 0.000 0.266 570 P C 1.055 178.192 177.300 -0.271 0.000 1.195 570 P CA 0.160 63.127 63.100 -0.222 0.000 0.768 570 P CB 0.417 31.834 31.700 -0.472 0.000 0.838 571 M N 2.104 121.625 119.600 -0.132 0.000 2.108 571 M HA -0.175 4.304 4.480 -0.001 0.000 0.261 571 M C 1.810 178.137 176.300 0.045 0.000 1.066 571 M CA 2.044 57.359 55.300 0.026 0.000 1.107 571 M CB -2.100 30.596 32.600 0.160 0.000 1.356 571 M HN 0.529 nan 8.290 nan 0.000 0.406 572 H N -0.192 118.917 119.070 0.065 0.000 2.559 572 H HA 0.062 4.619 4.556 0.001 0.000 0.273 572 H C 0.628 175.958 175.328 0.004 0.000 1.000 572 H CA 0.707 56.775 56.048 0.033 0.000 1.195 572 H CB -0.692 29.090 29.762 0.033 0.000 1.368 572 H HN 0.572 nan 8.280 nan 0.000 0.592 573 Q N 0.440 120.104 119.800 -0.227 0.000 2.179 573 Q HA 0.302 4.642 4.340 -0.001 0.000 0.213 573 Q C -0.088 175.852 176.000 -0.099 0.000 0.833 573 Q CA -0.307 55.412 55.803 -0.139 0.000 0.990 573 Q CB 0.828 29.461 28.738 -0.176 0.000 1.132 573 Q HN 0.339 nan 8.270 nan 0.000 0.493 574 M N 0.696 120.244 119.600 -0.086 0.000 2.211 574 M HA 0.071 4.551 4.480 -0.001 0.000 0.356 574 M C 0.541 176.786 176.300 -0.091 0.000 1.216 574 M CA -0.124 55.133 55.300 -0.071 0.000 1.134 574 M CB 1.117 33.709 32.600 -0.013 0.000 1.564 574 M HN 0.160 nan 8.290 nan 0.000 0.463 575 L N 2.462 123.634 121.223 -0.085 0.000 2.253 575 L HA 0.044 4.383 4.340 -0.001 0.000 0.205 575 L C 2.072 178.901 176.870 -0.069 0.000 1.078 575 L CA 1.907 56.702 54.840 -0.075 0.000 0.805 575 L CB -0.353 41.669 42.059 -0.062 0.000 0.963 575 L HN 0.779 nan 8.230 nan 0.000 0.459 576 T N 1.120 115.618 114.554 -0.093 0.000 2.665 576 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 576 T C -0.600 174.107 174.700 0.011 0.000 1.035 576 T CA 2.181 64.232 62.100 -0.082 0.000 1.151 576 T CB -1.231 67.537 68.868 -0.167 0.000 0.862 576 T HN 0.289 nan 8.240 nan 0.000 0.438 577 P HA 0.013 nan 4.420 nan 0.000 0.217 577 P C 1.402 178.688 177.300 -0.024 0.000 1.150 577 P CA 0.979 64.034 63.100 -0.076 0.000 0.832 577 P CB 0.050 31.496 31.700 -0.423 0.000 0.787 578 R N -0.560 119.871 120.500 -0.115 0.000 2.066 578 R HA 0.009 4.348 4.340 -0.001 0.000 0.232 578 R C 2.488 178.860 176.300 0.119 0.000 1.131 578 R CA 1.657 57.771 56.100 0.023 0.000 0.955 578 R CB -1.590 28.687 30.300 -0.039 0.000 0.851 578 R HN 0.092 nan 8.270 nan 0.000 0.432 579 S N -0.223 115.544 115.700 0.113 0.000 2.370 579 S HA -0.144 4.325 4.470 -0.001 0.000 0.226 579 S C 1.868 176.627 174.600 0.264 0.000 1.033 579 S CA 1.844 60.155 58.200 0.185 0.000 1.011 579 S CB -0.413 62.915 63.200 0.213 0.000 0.852 579 S HN 0.410 nan 8.310 nan 0.000 0.457 580 T N 1.766 116.499 114.554 0.298 0.000 2.684 580 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 580 T C 1.944 176.783 174.700 0.231 0.000 1.036 580 T CA 1.707 63.982 62.100 0.292 0.000 1.148 580 T CB -0.268 68.766 68.868 0.276 0.000 0.863 580 T HN 0.257 nan 8.240 nan 0.000 0.436 581 R N 1.343 121.979 120.500 0.226 0.000 2.081 581 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 581 R C 2.305 178.701 176.300 0.159 0.000 1.131 581 R CA 1.465 57.673 56.100 0.181 0.000 0.960 581 R CB -0.429 30.007 30.300 0.227 0.000 0.856 581 R HN 0.286 nan 8.270 nan 0.000 0.436 582 E N -0.342 119.961 120.200 0.171 0.000 2.077 582 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 582 E C 1.838 178.553 176.600 0.192 0.000 0.989 582 E CA 1.174 57.662 56.400 0.147 0.000 0.800 582 E CB -0.474 29.281 29.700 0.091 0.000 0.746 582 E HN 0.372 nan 8.360 nan 0.000 0.452 583 F N 2.122 122.108 119.950 0.059 0.000 2.171 583 F HA -0.168 4.359 4.527 0.000 0.000 0.300 583 F C 2.108 177.926 175.800 0.030 0.000 1.090 583 F CA 1.494 59.511 58.000 0.028 0.000 1.293 583 F CB 0.137 39.089 39.000 -0.079 0.000 1.013 583 F HN -0.007 nan 8.300 nan 0.000 0.486 584 E N -0.852 119.458 120.200 0.183 0.000 2.106 584 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 584 E C 2.138 178.734 176.600 -0.007 0.000 0.984 584 E CA 1.879 58.325 56.400 0.078 0.000 0.806 584 E CB -0.191 29.566 29.700 0.095 0.000 0.750 584 E HN 0.552 nan 8.360 nan 0.000 0.458 585 T N -2.024 112.548 114.554 0.029 0.000 3.039 585 T HA -0.005 4.344 4.350 -0.001 0.000 0.250 585 T C 1.592 176.312 174.700 0.033 0.000 1.052 585 T CA -0.069 62.045 62.100 0.023 0.000 1.125 585 T CB -0.226 68.671 68.868 0.049 0.000 0.908 585 T HN 0.084 nan 8.240 nan 0.000 0.473 586 F N 2.792 122.683 119.950 -0.099 0.000 2.416 586 F HA 0.500 5.027 4.527 0.000 0.000 0.296 586 F C 1.081 176.775 175.800 -0.177 0.000 1.099 586 F CA 0.766 58.700 58.000 -0.109 0.000 1.427 586 F CB 0.055 39.009 39.000 -0.076 0.000 1.079 586 F HN 0.576 nan 8.300 nan 0.000 0.536 587 G N 0.000 108.641 108.800 -0.265 0.000 5.446 587 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 587 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 587 G CA 0.000 44.841 45.100 -0.432 0.000 0.502 587 G HN 0.000 nan 8.290 nan 0.000 0.925