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 1r64_1_B DATA FIRST_RESID 121 DATA SEQUENCE LLPVKEAEDK LSINDPLFER QWHLVNPSFP GSDINVLDLW YNNITGAGVV DATA SEQUENCE AAIVDDGLDY ENEDLKDNFC AEGSWDFNDN TNLPKPRLSD DYHGTRCAGE DATA SEQUENCE IAAKKGNNFc GVGVGYNAKI SGIRILSGDI TTEDEAASLI YGLDVNDIYS DATA SEQUENCE CSWGPADDGR HLQGPSDLVK KALVKGVTEG RDSKGAIYVF ASGNGGTRGD DATA SEQUENCE NcNYDGYTNS IYSITIGAID HKDLHPPYSE GcSAVMAVTY SSGSGEYIHS DATA SEQUENCE SDINGRcSNS HGGTSAAAPL AAGVYTLLLE ANPNLTWRDV QYLSILSAVG DATA SEQUENCE LEKNADGDWR DSAMGKKYSH RYGFGKIDAH KLIEMSKTWE NVNAQTWFYL DATA SEQUENCE PTLYVSQSTN STEETLESVI TISEKSLQDA NFKRIEHVTV TVDIDTEIRG DATA SEQUENCE TTTVDLISPA GIISNLGVVR PRDVSSEGFK DWTFMSVAHW GENGVGDWKI DATA SEQUENCE KVKTTENGHR IDFHSWRLKL FGESIDSSKT E 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 121 L HA 0.000 nan 4.340 nan 0.000 0.249 121 L C 0.000 176.894 176.870 0.040 0.000 1.165 121 L CA 0.000 54.854 54.840 0.024 0.000 0.813 121 L CB 0.000 42.071 42.059 0.019 0.000 0.961 122 L N 2.771 124.017 121.223 0.037 0.000 2.072 122 L HA 0.196 4.536 4.340 -0.001 0.000 0.205 122 L C -0.515 176.399 176.870 0.073 0.000 1.079 122 L CA 2.033 56.901 54.840 0.047 0.000 0.752 122 L CB -1.117 40.962 42.059 0.034 0.000 0.906 122 L HN -0.027 nan 8.230 nan 0.000 0.436 123 P HA -0.111 nan 4.420 nan 0.000 0.216 123 P C 2.071 179.473 177.300 0.170 0.000 1.153 123 P CA 1.583 64.752 63.100 0.116 0.000 0.848 123 P CB -0.036 31.717 31.700 0.088 0.000 0.787 124 V N 0.578 120.578 119.914 0.143 0.000 2.219 124 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 124 V C 2.372 178.639 176.094 0.288 0.000 1.053 124 V CA 1.991 64.420 62.300 0.215 0.000 1.009 124 V CB -1.113 30.767 31.823 0.095 0.000 0.636 124 V HN 0.094 nan 8.190 nan 0.000 0.445 125 K N 0.126 120.635 120.400 0.181 0.000 2.001 125 K HA -0.258 4.062 4.320 -0.001 0.000 0.214 125 K C 2.149 178.831 176.600 0.137 0.000 1.050 125 K CA 2.011 58.384 56.287 0.144 0.000 0.934 125 K CB -0.798 31.756 32.500 0.090 0.000 0.718 125 K HN 0.692 nan 8.250 nan 0.000 0.443 126 E N 0.582 120.859 120.200 0.128 0.000 2.136 126 E HA -0.254 4.096 4.350 -0.001 0.000 0.202 126 E C 1.813 178.514 176.600 0.168 0.000 1.019 126 E CA 1.548 58.015 56.400 0.111 0.000 0.819 126 E CB -0.028 29.737 29.700 0.107 0.000 0.739 126 E HN 0.305 nan 8.360 nan 0.000 0.458 127 A N 0.902 123.893 122.820 0.285 0.000 1.872 127 A HA -0.176 4.143 4.320 -0.001 0.000 0.214 127 A C 1.915 179.610 177.584 0.186 0.000 1.187 127 A CA 1.460 53.734 52.037 0.395 0.000 0.614 127 A CB -0.452 18.835 19.000 0.479 0.000 0.826 127 A HN 0.354 nan 8.150 nan 0.000 0.442 128 E N -0.286 119.979 120.200 0.109 0.000 2.160 128 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 128 E C 1.441 178.029 176.600 -0.021 0.000 0.991 128 E CA 1.167 57.542 56.400 -0.043 0.000 0.810 128 E CB -0.158 29.558 29.700 0.027 0.000 0.742 128 E HN 0.534 nan 8.360 nan 0.000 0.466 129 D N 0.672 121.090 120.400 0.030 0.000 2.077 129 D HA -0.093 4.546 4.640 -0.001 0.000 0.196 129 D C 1.770 178.072 176.300 0.004 0.000 0.986 129 D CA 1.124 55.131 54.000 0.012 0.000 0.829 129 D CB 0.108 40.918 40.800 0.018 0.000 0.983 129 D HN 0.029 nan 8.370 nan 0.000 0.453 130 K N -0.098 120.318 120.400 0.027 0.000 2.026 130 K HA -0.028 4.291 4.320 -0.001 0.000 0.208 130 K C 1.937 178.571 176.600 0.056 0.000 1.048 130 K CA 0.765 57.062 56.287 0.015 0.000 0.929 130 K CB -0.078 32.383 32.500 -0.065 0.000 0.713 130 K HN 0.177 nan 8.250 nan 0.000 0.439 131 L N 0.888 122.161 121.223 0.082 0.000 2.611 131 L HA 0.110 4.450 4.340 -0.001 0.000 0.229 131 L C -0.183 176.607 176.870 -0.134 0.000 1.137 131 L CA -0.272 54.562 54.840 -0.011 0.000 0.901 131 L CB 0.042 42.070 42.059 -0.051 0.000 1.098 131 L HN 0.042 nan 8.230 nan 0.000 0.456 132 S N 1.127 116.767 115.700 -0.099 0.000 3.572 132 S HA -0.151 4.318 4.470 -0.001 0.000 0.394 132 S C 0.100 174.583 174.600 -0.196 0.000 0.923 132 S CA 0.289 58.418 58.200 -0.119 0.000 1.291 132 S CB -1.450 61.692 63.200 -0.098 0.000 0.914 132 S HN 0.302 nan 8.310 nan 0.000 0.545 133 I N 2.520 122.949 120.570 -0.235 0.000 2.306 133 I HA 0.195 4.365 4.170 -0.001 0.000 0.288 133 I C 0.932 176.931 176.117 -0.197 0.000 1.036 133 I CA -0.593 60.504 61.300 -0.337 0.000 1.221 133 I CB 0.893 38.514 38.000 -0.633 0.000 1.385 133 I HN 0.407 nan 8.210 nan 0.000 0.472 134 N N 2.715 121.329 118.700 -0.143 0.000 2.236 134 N HA 0.011 4.750 4.740 -0.001 0.000 0.196 134 N C -0.290 175.196 175.510 -0.039 0.000 1.114 134 N CA -0.452 52.558 53.050 -0.067 0.000 0.859 134 N CB -0.146 38.313 38.487 -0.048 0.000 0.982 134 N HN 0.383 nan 8.380 nan 0.000 0.493 135 D N 2.930 123.289 120.400 -0.067 0.000 2.451 135 D HA 0.000 4.640 4.640 -0.001 0.000 0.254 135 D C -1.185 175.138 176.300 0.039 0.000 1.204 135 D CA -0.915 53.076 54.000 -0.015 0.000 0.896 135 D CB 1.107 41.888 40.800 -0.033 0.000 1.136 135 D HN 0.230 nan 8.370 nan 0.000 0.499 136 P HA -0.175 nan 4.420 nan 0.000 0.219 136 P C 1.095 178.410 177.300 0.025 0.000 1.146 136 P CA 0.597 63.709 63.100 0.019 0.000 0.808 136 P CB 0.342 32.036 31.700 -0.010 0.000 0.779 137 L N -2.038 119.197 121.223 0.020 0.000 2.591 137 L HA 0.191 4.531 4.340 -0.001 0.000 0.228 137 L C 2.087 178.987 176.870 0.050 0.000 1.133 137 L CA 0.323 55.169 54.840 0.008 0.000 0.880 137 L CB -1.128 40.931 42.059 -0.001 0.000 1.033 137 L HN -0.250 nan 8.230 nan 0.000 0.450 138 F N 0.647 120.571 119.950 -0.044 0.000 2.134 138 F HA -0.172 4.354 4.527 -0.001 0.000 0.299 138 F C 2.097 177.878 175.800 -0.031 0.000 1.097 138 F CA 1.596 59.577 58.000 -0.031 0.000 1.264 138 F CB 0.024 39.014 39.000 -0.016 0.000 1.001 138 F HN 0.203 nan 8.300 nan 0.000 0.479 139 E N -0.319 119.857 120.200 -0.041 0.000 2.512 139 E HA -0.072 4.278 4.350 -0.001 0.000 0.195 139 E C 1.673 178.178 176.600 -0.158 0.000 1.083 139 E CA 0.109 56.428 56.400 -0.134 0.000 0.873 139 E CB 0.011 29.701 29.700 -0.015 0.000 0.897 139 E HN 0.508 nan 8.360 nan 0.000 0.514 140 R N -0.018 120.363 120.500 -0.199 0.000 2.344 140 R HA 0.103 4.443 4.340 -0.001 0.000 0.209 140 R C 0.538 176.684 176.300 -0.258 0.000 0.886 140 R CA 0.001 55.940 56.100 -0.268 0.000 1.040 140 R CB 0.475 30.506 30.300 -0.448 0.000 1.114 140 R HN 0.063 nan 8.270 nan 0.000 0.547 141 Q N 1.943 121.583 119.800 -0.267 0.000 3.004 141 Q HA -0.033 4.307 4.340 -0.001 0.000 0.256 141 Q C 0.480 176.189 176.000 -0.486 0.000 1.387 141 Q CA -0.151 55.467 55.803 -0.308 0.000 0.962 141 Q CB 0.009 28.562 28.738 -0.309 0.000 1.676 141 Q HN 0.478 nan 8.270 nan 0.000 0.568 142 W N 2.077 123.315 121.300 -0.103 0.000 2.364 142 W HA -0.233 4.427 4.660 -0.001 0.000 0.281 142 W C 1.169 177.588 176.519 -0.166 0.000 1.219 142 W CA 1.236 58.503 57.345 -0.129 0.000 1.220 142 W CB -0.804 28.634 29.460 -0.037 0.000 1.127 142 W HN 0.636 nan 8.180 nan 0.000 0.556 143 H N -0.012 118.501 119.070 -0.928 0.000 2.491 143 H HA -0.084 4.472 4.556 -0.001 0.000 0.290 143 H C 1.836 176.967 175.328 -0.330 0.000 1.050 143 H CA 1.049 56.652 56.048 -0.742 0.000 1.309 143 H CB -0.832 28.402 29.762 -0.880 0.000 1.392 143 H HN 0.122 nan 8.280 nan 0.000 0.554 144 L N 0.986 121.751 121.223 -0.762 0.000 2.084 144 L HA 0.129 4.468 4.340 -0.001 0.000 0.202 144 L C 0.831 177.517 176.870 -0.308 0.000 1.074 144 L CA 0.675 55.236 54.840 -0.464 0.000 0.757 144 L CB -0.022 41.821 42.059 -0.361 0.000 0.918 144 L HN 0.264 nan 8.230 nan 0.000 0.444 145 V N 0.461 120.190 119.914 -0.309 0.000 2.577 145 V HA 0.416 4.535 4.120 -0.001 0.000 0.294 145 V C -0.964 175.069 176.094 -0.101 0.000 1.052 145 V CA -0.837 61.359 62.300 -0.173 0.000 0.891 145 V CB 1.548 33.290 31.823 -0.134 0.000 1.017 145 V HN 0.296 nan 8.190 nan 0.000 0.436 146 N N 8.885 127.583 118.700 -0.004 0.000 2.437 146 N HA 0.439 5.178 4.740 -0.001 0.000 0.243 146 N C -1.558 173.999 175.510 0.078 0.000 1.041 146 N CA -1.643 51.469 53.050 0.104 0.000 0.940 146 N CB 2.175 40.754 38.487 0.154 0.000 1.133 146 N HN 0.537 nan 8.380 nan 0.000 0.506 147 P HA -0.041 nan 4.420 nan 0.000 0.219 147 P C 1.208 178.527 177.300 0.033 0.000 1.154 147 P CA 0.552 63.674 63.100 0.037 0.000 0.826 147 P CB 0.562 32.275 31.700 0.022 0.000 0.795 148 S N -1.268 114.486 115.700 0.089 0.000 2.371 148 S HA 0.003 4.473 4.470 -0.001 0.000 0.224 148 S C 0.421 174.948 174.600 -0.122 0.000 1.029 148 S CA 0.591 58.819 58.200 0.047 0.000 0.978 148 S CB -0.468 62.877 63.200 0.242 0.000 0.833 148 S HN -0.025 nan 8.310 nan 0.000 0.466 149 F N 2.079 122.027 119.950 -0.004 0.000 2.451 149 F HA 0.481 5.008 4.527 -0.000 0.000 0.367 149 F C -2.665 173.125 175.800 -0.016 0.000 1.100 149 F CA -2.608 55.375 58.000 -0.029 0.000 1.171 149 F CB 1.183 40.135 39.000 -0.079 0.000 1.405 149 F HN -0.019 nan 8.300 nan 0.000 0.482 150 P HA 0.103 nan 4.420 nan 0.000 0.260 150 P C 0.917 178.259 177.300 0.070 0.000 1.172 150 P CA 1.382 64.509 63.100 0.045 0.000 0.760 150 P CB 0.570 32.272 31.700 0.002 0.000 0.773 151 G N 2.425 111.261 108.800 0.060 0.000 2.241 151 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 151 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 151 G C 0.562 175.531 174.900 0.115 0.000 0.998 151 G CA 0.041 45.185 45.100 0.073 0.000 0.621 151 G HN 0.513 nan 8.290 nan 0.000 0.519 152 S N 2.236 117.999 115.700 0.105 0.000 3.983 152 S HA 0.518 4.987 4.470 -0.001 0.000 0.194 152 S C -0.108 174.304 174.600 -0.313 0.000 1.464 152 S CA 0.458 58.693 58.200 0.058 0.000 1.021 152 S CB 0.024 63.267 63.200 0.072 0.000 1.424 152 S HN 0.909 nan 8.310 nan 0.000 0.473 153 D N -1.161 119.121 120.400 -0.198 0.000 2.665 153 D HA 0.191 4.831 4.640 -0.001 0.000 0.287 153 D C 0.694 177.055 176.300 0.101 0.000 1.266 153 D CA -0.988 52.867 54.000 -0.241 0.000 0.830 153 D CB 0.125 40.847 40.800 -0.130 0.000 1.356 153 D HN 0.132 nan 8.370 nan 0.000 0.437 154 I N -2.650 117.979 120.570 0.098 0.000 3.334 154 I HA 0.143 4.313 4.170 -0.001 0.000 0.282 154 I C 0.352 176.473 176.117 0.006 0.000 1.313 154 I CA 0.069 61.442 61.300 0.122 0.000 1.396 154 I CB -1.011 37.030 38.000 0.068 0.000 1.054 154 I HN 0.455 nan 8.210 nan 0.000 0.495 155 N N 0.940 119.614 118.700 -0.044 0.000 2.641 155 N HA -0.192 4.547 4.740 -0.001 0.000 0.267 155 N C 0.161 175.581 175.510 -0.150 0.000 1.087 155 N CA 0.850 53.854 53.050 -0.077 0.000 0.731 155 N CB -0.898 37.587 38.487 -0.004 0.000 0.886 155 N HN 0.377 nan 8.380 nan 0.000 0.547 156 V N 2.487 122.204 119.914 -0.329 0.000 3.556 156 V HA 0.250 4.370 4.120 -0.001 0.000 0.287 156 V C 1.893 177.530 176.094 -0.763 0.000 1.422 156 V CA 0.328 62.297 62.300 -0.552 0.000 1.038 156 V CB -0.030 31.313 31.823 -0.801 0.000 0.850 156 V HN 0.500 nan 8.190 nan 0.000 0.437 157 L N 0.045 120.914 121.223 -0.591 0.000 1.971 157 L HA -0.212 4.128 4.340 -0.001 0.000 0.215 157 L C 2.344 178.808 176.870 -0.677 0.000 1.072 157 L CA 2.425 56.910 54.840 -0.591 0.000 0.758 157 L CB -0.796 41.066 42.059 -0.329 0.000 0.889 157 L HN 0.359 nan 8.230 nan 0.000 0.433 158 D N 0.010 120.232 120.400 -0.297 0.000 2.158 158 D HA -0.190 4.450 4.640 -0.001 0.000 0.197 158 D C 2.357 178.699 176.300 0.069 0.000 0.995 158 D CA 1.264 55.263 54.000 -0.002 0.000 0.846 158 D CB -0.134 40.699 40.800 0.054 0.000 0.941 158 D HN 0.342 nan 8.370 nan 0.000 0.456 159 L N -0.390 120.837 121.223 0.006 0.000 2.046 159 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 159 L C 2.613 179.574 176.870 0.152 0.000 1.077 159 L CA 0.791 55.666 54.840 0.058 0.000 0.747 159 L CB -0.370 41.670 42.059 -0.031 0.000 0.896 159 L HN 0.133 nan 8.230 nan 0.000 0.432 160 W N -0.263 120.986 121.300 -0.085 0.000 2.358 160 W HA -0.176 4.483 4.660 -0.001 0.000 0.303 160 W C 2.602 179.170 176.519 0.083 0.000 1.208 160 W CA 0.601 57.926 57.345 -0.034 0.000 1.274 160 W CB -1.246 28.189 29.460 -0.042 0.000 1.138 160 W HN 0.167 nan 8.180 nan 0.000 0.515 161 Y N 0.284 120.782 120.300 0.330 0.000 2.333 161 Y HA -0.173 4.377 4.550 -0.001 0.000 0.290 161 Y C 1.487 177.481 175.900 0.157 0.000 1.144 161 Y CA 0.931 59.154 58.100 0.205 0.000 1.228 161 Y CB -1.550 37.005 38.460 0.158 0.000 0.985 161 Y HN -0.068 nan 8.280 nan 0.000 0.542 162 N N 0.402 119.279 118.700 0.294 0.000 2.389 162 N HA 0.011 4.751 4.740 -0.001 0.000 0.237 162 N C 0.151 175.752 175.510 0.151 0.000 1.148 162 N CA 0.107 53.276 53.050 0.197 0.000 0.854 162 N CB -0.418 38.168 38.487 0.165 0.000 1.115 162 N HN 0.080 nan 8.380 nan 0.000 0.492 163 N N 0.224 119.021 118.700 0.162 0.000 2.753 163 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 163 N C -1.178 174.387 175.510 0.091 0.000 1.097 163 N CA 0.529 53.649 53.050 0.116 0.000 0.786 163 N CB -0.903 37.635 38.487 0.085 0.000 1.137 163 N HN 0.172 nan 8.380 nan 0.000 0.566 164 I N 1.642 122.284 120.570 0.119 0.000 2.287 164 I HA 0.209 4.379 4.170 -0.001 0.000 0.290 164 I C 1.387 177.564 176.117 0.099 0.000 1.069 164 I CA 0.314 61.669 61.300 0.091 0.000 1.237 164 I CB 0.356 38.407 38.000 0.085 0.000 1.418 164 I HN 0.259 nan 8.210 nan 0.000 0.481 165 T N -0.003 114.534 114.554 -0.028 0.000 3.332 165 T HA 0.311 4.660 4.350 -0.001 0.000 0.304 165 T C 1.049 175.642 174.700 -0.179 0.000 0.971 165 T CA 0.211 62.175 62.100 -0.227 0.000 0.954 165 T CB 0.439 68.959 68.868 -0.580 0.000 1.175 165 T HN 0.816 nan 8.240 nan 0.000 0.519 166 G N 1.546 110.313 108.800 -0.054 0.000 2.179 166 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.260 166 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.260 166 G C 0.477 175.362 174.900 -0.024 0.000 0.977 166 G CA -0.142 44.945 45.100 -0.022 0.000 0.641 166 G HN 1.434 nan 8.290 nan 0.000 0.533 167 A N -0.241 122.557 122.820 -0.037 0.000 2.565 167 A HA 0.593 4.912 4.320 -0.001 0.000 0.237 167 A C 2.124 179.706 177.584 -0.003 0.000 1.053 167 A CA 2.170 54.196 52.037 -0.018 0.000 0.755 167 A CB -0.147 18.845 19.000 -0.013 0.000 0.980 167 A HN 2.424 nan 8.150 nan 0.000 0.506 168 G N 0.836 109.635 108.800 -0.002 0.000 2.225 168 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.254 168 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.254 168 G C 0.219 175.117 174.900 -0.003 0.000 0.988 168 G CA 0.205 45.305 45.100 -0.001 0.000 0.625 168 G HN 1.513 nan 8.290 nan 0.000 0.527 169 V N 0.749 120.662 119.914 -0.001 0.000 2.612 169 V HA 0.720 4.840 4.120 -0.001 0.000 0.301 169 V C 0.360 176.446 176.094 -0.013 0.000 1.046 169 V CA -0.771 61.528 62.300 -0.002 0.000 0.946 169 V CB 2.020 33.852 31.823 0.014 0.000 1.003 169 V HN 0.336 nan 8.190 nan 0.000 0.459 170 V N 2.926 122.821 119.914 -0.032 0.000 2.407 170 V HA 0.755 4.874 4.120 -0.001 0.000 0.291 170 V C 0.165 176.211 176.094 -0.080 0.000 1.018 170 V CA -0.507 61.761 62.300 -0.055 0.000 0.842 170 V CB 1.481 33.256 31.823 -0.079 0.000 0.996 170 V HN 1.011 nan 8.190 nan 0.000 0.426 171 A N 4.045 126.834 122.820 -0.052 0.000 2.303 171 A HA 0.909 5.228 4.320 -0.001 0.000 0.320 171 A C 0.131 177.680 177.584 -0.059 0.000 1.192 171 A CA -0.348 51.654 52.037 -0.059 0.000 0.821 171 A CB 1.189 20.196 19.000 0.013 0.000 1.188 171 A HN 1.248 nan 8.150 nan 0.000 0.492 172 A N 2.475 125.211 122.820 -0.140 0.000 2.290 172 A HA 0.649 4.969 4.320 -0.001 0.000 0.310 172 A C -0.598 177.037 177.584 0.085 0.000 1.202 172 A CA -0.366 51.644 52.037 -0.047 0.000 0.837 172 A CB -0.041 18.858 19.000 -0.169 0.000 1.139 172 A HN 0.657 nan 8.150 nan 0.000 0.509 173 I N 3.227 123.886 120.570 0.149 0.000 2.287 173 I HA 0.176 4.346 4.170 -0.001 0.000 0.290 173 I C -0.101 176.159 176.117 0.239 0.000 1.069 173 I CA -0.029 61.380 61.300 0.181 0.000 1.237 173 I CB 1.302 39.395 38.000 0.156 0.000 1.418 173 I HN 0.301 nan 8.210 nan 0.000 0.481 174 V N 6.587 126.689 119.914 0.314 0.000 2.370 174 V HA 0.289 4.409 4.120 -0.001 0.000 0.257 174 V C 0.251 176.529 176.094 0.306 0.000 1.064 174 V CA 0.226 62.741 62.300 0.359 0.000 0.975 174 V CB 0.036 32.178 31.823 0.531 0.000 1.067 174 V HN 0.752 nan 8.190 nan 0.000 0.485 175 D N 2.725 123.212 120.400 0.145 0.000 4.224 175 D HA 0.104 4.743 4.640 -0.001 0.000 0.305 175 D C -0.209 176.072 176.300 -0.032 0.000 1.612 175 D CA 0.023 54.064 54.000 0.068 0.000 0.977 175 D CB 1.547 42.451 40.800 0.173 0.000 1.419 175 D HN 0.533 nan 8.370 nan 0.000 0.661 176 D N 0.039 120.421 120.400 -0.030 0.000 2.342 176 D HA 0.391 5.031 4.640 -0.001 0.000 0.221 176 D C 0.791 177.070 176.300 -0.034 0.000 1.101 176 D CA 0.261 54.222 54.000 -0.065 0.000 0.837 176 D CB 0.587 41.321 40.800 -0.110 0.000 0.938 176 D HN 0.678 nan 8.370 nan 0.000 0.508 177 G N -0.496 108.307 108.800 0.006 0.000 2.371 177 G HA2 0.176 4.135 3.960 -0.001 0.000 0.663 177 G HA3 0.176 4.135 3.960 -0.001 0.000 0.663 177 G C -2.039 172.882 174.900 0.035 0.000 1.311 177 G CA -0.615 44.496 45.100 0.019 0.000 0.985 177 G HN 0.426 nan 8.290 nan 0.000 0.566 178 L N 0.177 121.425 121.223 0.041 0.000 2.470 178 L HA 0.591 4.930 4.340 -0.001 0.000 0.268 178 L C -1.114 175.702 176.870 -0.090 0.000 0.964 178 L CA -0.829 54.034 54.840 0.038 0.000 0.839 178 L CB 1.976 44.134 42.059 0.165 0.000 1.276 178 L HN 0.661 nan 8.230 nan 0.000 0.403 179 D N 3.569 123.878 120.400 -0.152 0.000 2.508 179 D HA 0.036 4.676 4.640 -0.001 0.000 0.224 179 D C 0.737 176.819 176.300 -0.363 0.000 1.171 179 D CA -0.100 53.703 54.000 -0.328 0.000 1.006 179 D CB 0.270 40.947 40.800 -0.205 0.000 1.073 179 D HN 0.451 nan 8.370 nan 0.000 0.513 180 Y N 0.659 120.723 120.300 -0.393 0.000 2.680 180 Y HA 0.109 4.658 4.550 -0.001 0.000 0.303 180 Y C 1.235 176.943 175.900 -0.319 0.000 1.166 180 Y CA 0.295 58.042 58.100 -0.588 0.000 1.344 180 Y CB -0.352 37.212 38.460 -1.493 0.000 1.002 180 Y HN 0.243 nan 8.280 nan 0.000 0.537 181 E N 0.333 120.295 120.200 -0.397 0.000 2.481 181 E HA -0.008 4.342 4.350 -0.001 0.000 0.198 181 E C 0.256 176.753 176.600 -0.172 0.000 1.027 181 E CA -0.310 55.958 56.400 -0.219 0.000 0.900 181 E CB 0.106 29.636 29.700 -0.283 0.000 0.993 181 E HN 0.348 nan 8.360 nan 0.000 0.482 182 N N 1.605 120.211 118.700 -0.157 0.000 2.513 182 N HA -0.071 4.669 4.740 -0.001 0.000 0.268 182 N C 0.770 176.185 175.510 -0.158 0.000 1.180 182 N CA 0.272 53.255 53.050 -0.112 0.000 0.948 182 N CB 0.992 39.473 38.487 -0.009 0.000 1.083 182 N HN -0.007 nan 8.380 nan 0.000 0.455 183 E N 2.024 121.987 120.200 -0.395 0.000 2.209 183 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 183 E C 0.182 176.643 176.600 -0.232 0.000 0.993 183 E CA 1.295 57.372 56.400 -0.537 0.000 0.819 183 E CB 0.142 29.063 29.700 -1.298 0.000 0.745 183 E HN 0.607 nan 8.360 nan 0.000 0.477 184 D N -1.006 119.408 120.400 0.023 0.000 2.360 184 D HA 0.101 4.741 4.640 -0.001 0.000 0.210 184 D C 1.439 177.817 176.300 0.130 0.000 1.047 184 D CA 0.176 54.291 54.000 0.192 0.000 0.854 184 D CB 0.450 41.474 40.800 0.373 0.000 0.936 184 D HN 0.131 nan 8.370 nan 0.000 0.514 185 L N -0.126 121.153 121.223 0.093 0.000 2.749 185 L HA 0.159 4.498 4.340 -0.001 0.000 0.242 185 L C 2.139 179.093 176.870 0.139 0.000 1.103 185 L CA -0.056 54.855 54.840 0.119 0.000 0.906 185 L CB 0.162 42.285 42.059 0.106 0.000 1.228 185 L HN -0.081 nan 8.230 nan 0.000 0.517 186 K N 0.335 120.782 120.400 0.077 0.000 2.009 186 K HA -0.260 4.060 4.320 -0.001 0.000 0.210 186 K C 1.566 178.259 176.600 0.156 0.000 1.049 186 K CA 2.054 58.403 56.287 0.104 0.000 0.929 186 K CB -0.418 32.101 32.500 0.031 0.000 0.714 186 K HN 0.022 nan 8.250 nan 0.000 0.440 187 D N 1.243 121.704 120.400 0.102 0.000 2.104 187 D HA -0.145 4.494 4.640 -0.001 0.000 0.194 187 D C 1.381 177.749 176.300 0.114 0.000 0.994 187 D CA 1.168 55.223 54.000 0.092 0.000 0.830 187 D CB -0.274 40.561 40.800 0.058 0.000 0.959 187 D HN 0.236 nan 8.370 nan 0.000 0.452 188 N N -0.362 118.417 118.700 0.131 0.000 2.461 188 N HA -0.050 4.689 4.740 -0.001 0.000 0.188 188 N C 0.046 175.645 175.510 0.148 0.000 1.134 188 N CA -0.168 52.954 53.050 0.119 0.000 0.878 188 N CB -0.212 38.343 38.487 0.113 0.000 0.972 188 N HN 0.189 nan 8.380 nan 0.000 0.456 189 F N 1.714 121.699 119.950 0.058 0.000 2.538 189 F HA 0.088 4.615 4.527 -0.001 0.000 0.371 189 F C 0.293 176.116 175.800 0.039 0.000 1.087 189 F CA -0.963 57.076 58.000 0.065 0.000 1.250 189 F CB 0.498 39.555 39.000 0.095 0.000 1.110 189 F HN -0.087 nan 8.300 nan 0.000 0.570 190 C N 7.983 126.757 119.300 -0.876 0.000 2.264 190 C HA 0.696 5.155 4.460 -0.001 0.000 0.322 190 C C 1.153 175.501 174.990 -1.070 0.000 1.210 190 C CA -0.058 58.536 59.018 -0.706 0.000 1.539 190 C CB -0.938 26.608 27.740 -0.323 0.000 2.167 190 C HN 1.066 nan 8.230 nan 0.000 0.463 191 A N 2.945 125.238 122.820 -0.878 0.000 1.968 191 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 191 A C 2.132 179.642 177.584 -0.125 0.000 1.169 191 A CA 1.610 53.371 52.037 -0.459 0.000 0.638 191 A CB -0.442 18.500 19.000 -0.096 0.000 0.812 191 A HN 0.946 nan 8.150 nan 0.000 0.446 192 E N -0.269 119.865 120.200 -0.111 0.000 2.110 192 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 192 E C 1.629 178.262 176.600 0.056 0.000 0.988 192 E CA 1.062 57.456 56.400 -0.009 0.000 0.804 192 E CB -0.320 29.352 29.700 -0.048 0.000 0.745 192 E HN 0.490 nan 8.360 nan 0.000 0.458 193 G N 0.010 108.815 108.800 0.009 0.000 3.314 193 G HA2 0.093 4.052 3.960 -0.001 0.000 0.238 193 G HA3 0.093 4.052 3.960 -0.001 0.000 0.238 193 G C -0.212 174.888 174.900 0.334 0.000 1.184 193 G CA -0.197 44.963 45.100 0.100 0.000 0.806 193 G HN 0.024 nan 8.290 nan 0.000 0.536 194 S N -0.376 115.537 115.700 0.355 0.000 2.578 194 S HA 0.759 5.229 4.470 -0.001 0.000 0.301 194 S C -1.376 173.408 174.600 0.307 0.000 1.091 194 S CA -0.762 57.638 58.200 0.333 0.000 1.032 194 S CB 2.018 65.369 63.200 0.251 0.000 1.064 194 S HN 0.383 nan 8.310 nan 0.000 0.508 195 W N 1.787 122.979 121.300 -0.179 0.000 3.275 195 W HA 0.242 4.901 4.660 -0.001 0.000 0.306 195 W C -2.397 173.919 176.519 -0.338 0.000 1.259 195 W CA -0.421 56.614 57.345 -0.516 0.000 1.194 195 W CB 1.520 30.112 29.460 -1.448 0.000 1.375 195 W HN 0.614 nan 8.180 nan 0.000 0.564 196 D N 3.370 123.038 120.400 -1.221 0.000 2.460 196 D HA 0.259 4.899 4.640 -0.001 0.000 0.232 196 D C 0.162 176.082 176.300 -0.633 0.000 1.079 196 D CA -0.331 53.275 54.000 -0.656 0.000 0.864 196 D CB 0.422 40.905 40.800 -0.529 0.000 1.048 196 D HN 0.179 nan 8.370 nan 0.000 0.523 197 F N 1.869 121.781 119.950 -0.065 0.000 2.615 197 F HA 0.058 4.585 4.527 -0.001 0.000 0.297 197 F C 2.107 177.914 175.800 0.012 0.000 1.124 197 F CA 0.029 58.092 58.000 0.106 0.000 1.451 197 F CB 0.131 39.213 39.000 0.138 0.000 1.103 197 F HN 0.305 nan 8.300 nan 0.000 0.569 198 N N -0.090 118.666 118.700 0.094 0.000 2.173 198 N HA -0.108 4.632 4.740 -0.001 0.000 0.184 198 N C 0.739 176.244 175.510 -0.008 0.000 1.025 198 N CA 1.289 54.359 53.050 0.034 0.000 0.852 198 N CB -0.198 38.285 38.487 -0.007 0.000 0.998 198 N HN 0.221 nan 8.380 nan 0.000 0.427 199 D N 0.464 120.820 120.400 -0.074 0.000 2.424 199 D HA 0.021 4.661 4.640 -0.001 0.000 0.220 199 D C -0.298 175.923 176.300 -0.131 0.000 1.150 199 D CA -0.182 53.763 54.000 -0.091 0.000 0.831 199 D CB -0.449 40.285 40.800 -0.108 0.000 0.981 199 D HN 0.081 nan 8.370 nan 0.000 0.500 200 N N 1.343 119.967 118.700 -0.127 0.000 2.669 200 N HA -0.221 4.518 4.740 -0.001 0.000 0.266 200 N C -1.100 174.246 175.510 -0.274 0.000 1.024 200 N CA 0.967 53.965 53.050 -0.087 0.000 0.766 200 N CB -0.821 37.707 38.487 0.068 0.000 0.898 200 N HN 0.168 nan 8.380 nan 0.000 0.548 201 T N -0.641 113.423 114.554 -0.816 0.000 2.792 201 T HA 0.391 4.741 4.350 -0.001 0.000 0.303 201 T C 1.122 174.776 174.700 -1.743 0.000 1.310 201 T CA -0.137 61.418 62.100 -0.909 0.000 1.007 201 T CB 0.537 69.135 68.868 -0.450 0.000 1.335 201 T HN 0.328 nan 8.240 nan 0.000 0.504 202 N N 1.248 119.318 118.700 -1.051 0.000 2.216 202 N HA -0.002 4.738 4.740 -0.001 0.000 0.183 202 N C 0.362 175.651 175.510 -0.369 0.000 1.017 202 N CA 0.573 53.239 53.050 -0.639 0.000 0.861 202 N CB -0.362 38.095 38.487 -0.049 0.000 0.986 202 N HN 0.305 nan 8.380 nan 0.000 0.428 203 L N 2.812 123.855 121.223 -0.301 0.000 2.276 203 L HA 0.310 4.649 4.340 -0.001 0.000 0.286 203 L C -1.822 174.995 176.870 -0.090 0.000 1.061 203 L CA -2.070 52.676 54.840 -0.156 0.000 0.807 203 L CB 1.165 43.127 42.059 -0.162 0.000 1.177 203 L HN 0.044 nan 8.230 nan 0.000 0.429 204 P HA 0.000 nan 4.420 nan 0.000 0.235 204 P C -0.094 177.261 177.300 0.091 0.000 1.725 204 P CA -0.310 62.822 63.100 0.053 0.000 0.894 204 P CB -0.012 31.773 31.700 0.142 0.000 1.704 205 K N 1.908 122.379 120.400 0.118 0.000 2.451 205 K HA 0.165 4.484 4.320 -0.001 0.000 0.280 205 K C -2.251 174.301 176.600 -0.080 0.000 1.020 205 K CA -1.661 54.610 56.287 -0.026 0.000 1.008 205 K CB 0.051 32.543 32.500 -0.013 0.000 0.917 205 K HN 0.046 nan 8.250 nan 0.000 0.478 206 P HA 0.056 nan 4.420 nan 0.000 0.268 206 P C -0.440 176.816 177.300 -0.074 0.000 1.205 206 P CA -0.004 63.046 63.100 -0.083 0.000 0.771 206 P CB 0.923 32.571 31.700 -0.087 0.000 0.858 207 R N 1.710 122.179 120.500 -0.052 0.000 2.302 207 R HA 0.255 4.594 4.340 -0.001 0.000 0.187 207 R C 0.570 176.854 176.300 -0.028 0.000 0.904 207 R CA -0.143 55.931 56.100 -0.044 0.000 1.105 207 R CB -0.199 30.075 30.300 -0.044 0.000 1.239 207 R HN 0.335 nan 8.270 nan 0.000 0.620 208 L N 1.814 123.026 121.223 -0.019 0.000 2.464 208 L HA 0.068 4.408 4.340 -0.001 0.000 0.264 208 L C 1.712 178.590 176.870 0.013 0.000 1.199 208 L CA -0.039 54.799 54.840 -0.004 0.000 0.818 208 L CB 0.789 42.847 42.059 -0.001 0.000 1.102 208 L HN 0.249 nan 8.230 nan 0.000 0.473 209 S N -0.676 115.036 115.700 0.020 0.000 2.507 209 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 209 S C 0.833 175.480 174.600 0.079 0.000 0.988 209 S CA 0.870 59.089 58.200 0.031 0.000 0.944 209 S CB -0.341 62.868 63.200 0.016 0.000 0.762 209 S HN 0.845 nan 8.310 nan 0.000 0.526 210 D N 0.036 120.504 120.400 0.113 0.000 2.501 210 D HA 0.117 4.757 4.640 -0.001 0.000 0.226 210 D C -0.735 175.706 176.300 0.235 0.000 1.198 210 D CA -0.387 53.770 54.000 0.262 0.000 0.830 210 D CB -0.381 40.551 40.800 0.220 0.000 1.014 210 D HN 0.097 nan 8.370 nan 0.000 0.496 211 D N 1.072 121.531 120.400 0.099 0.000 2.845 211 D HA 0.034 4.674 4.640 -0.001 0.000 0.235 211 D C 0.590 176.885 176.300 -0.009 0.000 1.158 211 D CA -0.297 53.693 54.000 -0.018 0.000 0.990 211 D CB -0.303 40.481 40.800 -0.027 0.000 1.094 211 D HN 0.500 nan 8.370 nan 0.000 0.486 212 Y N -2.347 117.966 120.300 0.021 0.000 2.507 212 Y HA 0.168 4.717 4.550 -0.001 0.000 0.263 212 Y C 2.082 177.982 175.900 -0.000 0.000 1.093 212 Y CA 0.163 58.260 58.100 -0.005 0.000 1.285 212 Y CB -0.310 38.141 38.460 -0.016 0.000 1.115 212 Y HN 0.159 nan 8.280 nan 0.000 0.533 213 H N 1.209 119.623 119.070 -1.093 0.000 2.265 213 H HA -0.149 4.407 4.556 -0.001 0.000 0.295 213 H C 2.255 177.443 175.328 -0.234 0.000 1.084 213 H CA 2.212 57.858 56.048 -0.671 0.000 1.261 213 H CB -0.481 28.921 29.762 -0.599 0.000 1.360 213 H HN 0.589 nan 8.280 nan 0.000 0.487 214 G N -0.816 107.951 108.800 -0.054 0.000 2.418 214 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.217 214 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.217 214 G C 1.803 176.688 174.900 -0.025 0.000 1.158 214 G CA 1.292 46.396 45.100 0.006 0.000 0.771 214 G HN 0.393 nan 8.290 nan 0.000 0.545 215 T N 0.625 115.150 114.554 -0.048 0.000 2.746 215 T HA -0.087 4.263 4.350 -0.001 0.000 0.267 215 T C 2.501 177.166 174.700 -0.058 0.000 1.039 215 T CA 1.181 63.263 62.100 -0.030 0.000 1.142 215 T CB -0.127 68.726 68.868 -0.024 0.000 0.866 215 T HN 0.297 nan 8.240 nan 0.000 0.444 216 R N 0.107 120.511 120.500 -0.160 0.000 2.075 216 R HA 0.002 4.341 4.340 -0.001 0.000 0.232 216 R C 2.768 178.935 176.300 -0.220 0.000 1.126 216 R CA 1.266 57.184 56.100 -0.304 0.000 0.963 216 R CB -0.737 29.137 30.300 -0.711 0.000 0.858 216 R HN 0.375 nan 8.270 nan 0.000 0.435 217 C N 0.311 119.519 119.300 -0.153 0.000 2.446 217 C HA 0.000 4.460 4.460 -0.001 0.000 0.277 217 C C 2.964 177.989 174.990 0.058 0.000 1.275 217 C CA 0.696 59.730 59.018 0.026 0.000 1.727 217 C CB -0.889 26.873 27.740 0.037 0.000 2.010 217 C HN 0.586 nan 8.230 nan 0.000 0.486 218 A N 0.941 123.792 122.820 0.052 0.000 1.902 218 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 218 A C 2.410 180.055 177.584 0.100 0.000 1.181 218 A CA 2.128 54.219 52.037 0.090 0.000 0.623 218 A CB -1.272 17.789 19.000 0.103 0.000 0.818 218 A HN 0.554 nan 8.150 nan 0.000 0.443 219 G N -0.605 108.244 108.800 0.083 0.000 2.432 219 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.219 219 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.219 219 G C 1.385 176.367 174.900 0.136 0.000 1.135 219 G CA 0.948 46.113 45.100 0.108 0.000 0.767 219 G HN 0.676 nan 8.290 nan 0.000 0.550 220 E N -0.099 120.175 120.200 0.123 0.000 2.110 220 E HA -0.077 4.272 4.350 -0.001 0.000 0.193 220 E C 2.433 179.136 176.600 0.171 0.000 0.988 220 E CA 0.667 57.156 56.400 0.149 0.000 0.804 220 E CB -0.086 29.674 29.700 0.101 0.000 0.745 220 E HN 0.515 nan 8.360 nan 0.000 0.458 221 I N 0.243 120.897 120.570 0.140 0.000 2.188 221 I HA -0.111 4.059 4.170 -0.001 0.000 0.237 221 I C 1.548 177.757 176.117 0.152 0.000 1.073 221 I CA 0.874 62.255 61.300 0.135 0.000 1.359 221 I CB 0.095 38.159 38.000 0.107 0.000 1.083 221 I HN -0.044 nan 8.210 nan 0.000 0.412 222 A N 0.742 123.649 122.820 0.146 0.000 2.812 222 A HA 0.685 5.004 4.320 -0.001 0.000 0.294 222 A C 0.289 177.970 177.584 0.162 0.000 1.014 222 A CA -0.407 51.721 52.037 0.150 0.000 1.024 222 A CB -0.356 18.715 19.000 0.120 0.000 1.162 222 A HN 0.205 nan 8.150 nan 0.000 0.511 223 A N 0.744 123.669 122.820 0.174 0.000 2.488 223 A HA 0.454 4.774 4.320 -0.001 0.000 0.249 223 A C 0.525 178.194 177.584 0.142 0.000 1.083 223 A CA -0.140 51.994 52.037 0.161 0.000 0.768 223 A CB 0.007 19.105 19.000 0.163 0.000 1.017 223 A HN 0.459 nan 8.150 nan 0.000 0.496 224 K N 1.860 122.332 120.400 0.120 0.000 2.484 224 K HA 0.038 4.358 4.320 -0.001 0.000 0.280 224 K C 0.294 176.882 176.600 -0.020 0.000 1.013 224 K CA 0.668 56.994 56.287 0.065 0.000 1.029 224 K CB 0.324 32.860 32.500 0.060 0.000 0.902 224 K HN 0.669 nan 8.250 nan 0.000 0.481 225 K N 2.554 122.855 120.400 -0.165 0.000 2.098 225 K HA 0.340 4.660 4.320 -0.001 0.000 0.258 225 K C 0.184 176.617 176.600 -0.279 0.000 0.973 225 K CA 0.210 56.272 56.287 -0.376 0.000 0.898 225 K CB 0.882 32.811 32.500 -0.951 0.000 1.057 225 K HN 0.761 nan 8.250 nan 0.000 0.447 226 G N 2.526 111.164 108.800 -0.271 0.000 2.233 226 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.270 226 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.270 226 G C 0.041 174.885 174.900 -0.093 0.000 1.011 226 G CA 0.858 45.847 45.100 -0.185 0.000 0.762 226 G HN 0.831 nan 8.290 nan 0.000 0.511 227 N N 0.141 118.815 118.700 -0.043 0.000 2.273 227 N HA 0.123 4.862 4.740 -0.001 0.000 0.231 227 N C 0.624 176.172 175.510 0.063 0.000 1.134 227 N CA -0.070 52.984 53.050 0.007 0.000 0.856 227 N CB -0.351 38.149 38.487 0.022 0.000 1.068 227 N HN 0.419 nan 8.380 nan 0.000 0.510 228 N N -0.463 118.260 118.700 0.039 0.000 2.696 228 N HA -0.256 4.484 4.740 -0.001 0.000 0.249 228 N C -1.596 174.004 175.510 0.150 0.000 1.090 228 N CA 0.500 53.587 53.050 0.061 0.000 0.716 228 N CB -1.561 36.953 38.487 0.045 0.000 1.020 228 N HN 0.504 nan 8.380 nan 0.000 0.548 229 F N -0.131 119.808 119.950 -0.019 0.000 2.529 229 F HA 0.506 5.032 4.527 -0.001 0.000 0.320 229 F C 1.341 177.148 175.800 0.012 0.000 1.118 229 F CA 0.023 58.021 58.000 -0.003 0.000 0.915 229 F CB 0.595 39.591 39.000 -0.006 0.000 1.161 229 F HN 0.276 nan 8.300 nan 0.000 0.445 230 c N 1.957 120.170 118.600 -0.646 0.000 0.228 230 c HA -0.163 4.407 4.570 -0.001 0.000 0.020 230 c C 1.455 175.480 174.090 -0.108 0.000 0.183 230 c CA 1.009 57.088 56.329 -0.416 0.000 0.505 230 c CB -1.563 40.647 42.510 -0.500 0.000 3.211 230 c HN 1.185 nan 8.230 nan 0.000 1.117 231 G N -1.313 107.477 108.800 -0.017 0.000 3.135 231 G HA2 0.626 4.586 3.960 -0.001 0.000 0.159 231 G HA3 0.626 4.586 3.960 -0.001 0.000 0.159 231 G C -1.183 173.787 174.900 0.117 0.000 1.244 231 G CA 0.429 45.589 45.100 0.100 0.000 0.965 231 G HN 0.997 nan 8.290 nan 0.000 0.599 232 V N -0.386 119.647 119.914 0.198 0.000 2.789 232 V HA 0.713 4.833 4.120 -0.001 0.000 0.311 232 V C 0.617 176.878 176.094 0.278 0.000 1.073 232 V CA -0.325 62.071 62.300 0.160 0.000 0.921 232 V CB 1.682 33.539 31.823 0.057 0.000 1.009 232 V HN 1.019 nan 8.190 nan 0.000 0.426 233 G N 1.264 110.232 108.800 0.279 0.000 2.451 233 G HA2 0.463 4.423 3.960 -0.001 0.000 0.303 233 G HA3 0.463 4.423 3.960 -0.001 0.000 0.303 233 G C 0.945 176.123 174.900 0.463 0.000 1.166 233 G CA -0.264 45.030 45.100 0.324 0.000 0.884 233 G HN 0.536 nan 8.290 nan 0.000 0.514 234 V N 1.442 121.594 119.914 0.397 0.000 2.255 234 V HA -0.054 4.066 4.120 -0.001 0.000 0.247 234 V C 2.041 178.385 176.094 0.417 0.000 1.051 234 V CA 2.243 64.795 62.300 0.420 0.000 1.018 234 V CB -0.709 31.239 31.823 0.209 0.000 0.641 234 V HN 0.799 nan 8.190 nan 0.000 0.445 235 G N -1.037 107.890 108.800 0.210 0.000 4.190 235 G HA2 0.339 4.298 3.960 -0.001 0.000 0.328 235 G HA3 0.339 4.298 3.960 -0.001 0.000 0.328 235 G C 0.339 175.237 174.900 -0.004 0.000 1.364 235 G CA -0.266 44.862 45.100 0.046 0.000 1.259 235 G HN 0.615 nan 8.290 nan 0.000 0.525 236 Y N -0.830 119.496 120.300 0.045 0.000 2.651 236 Y HA 0.030 4.579 4.550 -0.001 0.000 0.296 236 Y C 1.452 177.332 175.900 -0.033 0.000 1.150 236 Y CA 0.714 58.794 58.100 -0.034 0.000 1.348 236 Y CB -0.227 38.129 38.460 -0.173 0.000 0.983 236 Y HN 0.418 nan 8.280 nan 0.000 0.555 237 N N 0.080 118.727 118.700 -0.089 0.000 2.184 237 N HA 0.360 5.099 4.740 -0.001 0.000 0.206 237 N C 0.203 175.709 175.510 -0.007 0.000 1.151 237 N CA -0.028 53.014 53.050 -0.014 0.000 0.878 237 N CB 0.385 38.829 38.487 -0.072 0.000 1.014 237 N HN 0.335 nan 8.380 nan 0.000 0.512 238 A N 0.864 123.682 122.820 -0.002 0.000 2.304 238 A HA 0.355 4.674 4.320 -0.001 0.000 0.271 238 A C 0.042 177.643 177.584 0.030 0.000 1.091 238 A CA -0.065 51.979 52.037 0.012 0.000 0.812 238 A CB 0.579 19.592 19.000 0.022 0.000 1.056 238 A HN -0.035 nan 8.150 nan 0.000 0.489 239 K N 0.949 121.356 120.400 0.013 0.000 2.130 239 K HA 0.517 4.837 4.320 -0.001 0.000 0.268 239 K C -0.605 176.001 176.600 0.009 0.000 0.983 239 K CA -0.101 56.189 56.287 0.006 0.000 0.893 239 K CB 1.317 33.798 32.500 -0.032 0.000 1.066 239 K HN 0.675 nan 8.250 nan 0.000 0.450 240 I N -1.030 119.562 120.570 0.036 0.000 2.465 240 I HA 0.435 4.605 4.170 -0.001 0.000 0.291 240 I C 0.027 176.178 176.117 0.057 0.000 1.014 240 I CA -0.738 60.602 61.300 0.066 0.000 1.093 240 I CB 2.094 40.174 38.000 0.134 0.000 1.267 240 I HN 0.429 nan 8.210 nan 0.000 0.431 241 S N 3.451 119.174 115.700 0.038 0.000 2.621 241 S HA 0.910 5.380 4.470 -0.001 0.000 0.302 241 S C -0.131 174.595 174.600 0.209 0.000 1.093 241 S CA -0.679 57.547 58.200 0.044 0.000 1.017 241 S CB 1.827 65.019 63.200 -0.014 0.000 1.077 241 S HN 1.054 nan 8.310 nan 0.000 0.517 242 G N 0.467 109.459 108.800 0.320 0.000 2.544 242 G HA2 0.656 4.616 3.960 -0.001 0.000 0.313 242 G HA3 0.656 4.616 3.960 -0.001 0.000 0.313 242 G C -1.003 174.055 174.900 0.264 0.000 1.316 242 G CA -0.851 44.426 45.100 0.295 0.000 0.944 242 G HN 0.758 nan 8.290 nan 0.000 0.489 243 I N 2.181 122.908 120.570 0.262 0.000 2.405 243 I HA 0.315 4.484 4.170 -0.001 0.000 0.280 243 I C 0.376 176.631 176.117 0.230 0.000 1.027 243 I CA -0.691 60.789 61.300 0.300 0.000 1.161 243 I CB 1.596 39.852 38.000 0.427 0.000 1.300 243 I HN 0.330 nan 8.210 nan 0.000 0.463 244 R N 6.961 127.560 120.500 0.165 0.000 2.242 244 R HA 0.365 4.704 4.340 -0.001 0.000 0.334 244 R C 0.716 177.084 176.300 0.114 0.000 1.071 244 R CA 0.177 56.328 56.100 0.086 0.000 0.922 244 R CB 0.455 30.762 30.300 0.011 0.000 1.023 244 R HN 0.844 nan 8.270 nan 0.000 0.458 245 I N 1.006 121.576 120.570 0.000 0.000 4.864 245 I HA 0.069 4.239 4.170 -0.001 0.000 0.337 245 I C 0.385 176.394 176.117 -0.180 0.000 1.283 245 I CA -0.219 61.039 61.300 -0.068 0.000 1.350 245 I CB 0.344 38.240 38.000 -0.175 0.000 1.412 245 I HN 0.465 nan 8.210 nan 0.000 0.487 246 L N 1.136 122.226 121.223 -0.221 0.000 2.492 246 L HA 0.204 4.543 4.340 -0.001 0.000 0.223 246 L C 1.331 178.113 176.870 -0.147 0.000 1.132 246 L CA 0.437 55.131 54.840 -0.243 0.000 0.850 246 L CB -0.161 41.724 42.059 -0.289 0.000 0.966 246 L HN 0.153 nan 8.230 nan 0.000 0.454 247 S N 0.835 116.475 115.700 -0.101 0.000 2.930 247 S HA 0.428 4.897 4.470 -0.001 0.000 0.257 247 S C 0.599 175.168 174.600 -0.052 0.000 1.208 247 S CA 0.335 58.493 58.200 -0.069 0.000 1.233 247 S CB -0.322 62.846 63.200 -0.055 0.000 0.900 247 S HN 0.599 nan 8.310 nan 0.000 0.472 248 G N 0.647 109.411 108.800 -0.060 0.000 2.347 248 G HA2 0.115 4.074 3.960 -0.001 0.000 0.321 248 G HA3 0.115 4.074 3.960 -0.001 0.000 0.321 248 G C -2.130 172.743 174.900 -0.045 0.000 1.412 248 G CA -1.129 43.947 45.100 -0.041 0.000 0.990 248 G HN 0.129 nan 8.290 nan 0.000 0.637 249 D N 0.231 120.614 120.400 -0.028 0.000 2.389 249 D HA 0.560 5.200 4.640 -0.001 0.000 0.247 249 D C 0.919 177.211 176.300 -0.013 0.000 1.128 249 D CA 0.569 54.554 54.000 -0.025 0.000 0.884 249 D CB 1.227 42.021 40.800 -0.011 0.000 1.194 249 D HN 0.764 nan 8.370 nan 0.000 0.441 250 I N -2.355 118.202 120.570 -0.021 0.000 3.042 250 I HA 0.534 4.703 4.170 -0.001 0.000 0.310 250 I C 0.164 176.278 176.117 -0.005 0.000 1.117 250 I CA -1.025 60.273 61.300 -0.004 0.000 1.003 250 I CB 2.098 40.085 38.000 -0.021 0.000 1.228 250 I HN 0.221 nan 8.210 nan 0.000 0.443 251 T N -0.873 113.687 114.554 0.010 0.000 2.868 251 T HA 0.166 4.516 4.350 -0.001 0.000 0.292 251 T C 1.362 176.057 174.700 -0.008 0.000 1.028 251 T CA 0.181 62.287 62.100 0.009 0.000 1.059 251 T CB 1.173 70.055 68.868 0.023 0.000 0.991 251 T HN 0.925 nan 8.240 nan 0.000 0.531 252 T N -0.723 113.832 114.554 0.002 0.000 2.803 252 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 252 T C 1.441 176.130 174.700 -0.019 0.000 1.052 252 T CA 1.377 63.478 62.100 0.002 0.000 1.136 252 T CB -0.587 68.289 68.868 0.013 0.000 0.864 252 T HN 0.691 nan 8.240 nan 0.000 0.467 253 E N 1.629 121.822 120.200 -0.013 0.000 2.038 253 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 253 E C 2.175 178.744 176.600 -0.051 0.000 1.000 253 E CA 1.474 57.865 56.400 -0.014 0.000 0.803 253 E CB -0.544 29.164 29.700 0.013 0.000 0.750 253 E HN 0.498 nan 8.360 nan 0.000 0.448 254 D N 0.084 120.447 120.400 -0.061 0.000 2.144 254 D HA -0.165 4.475 4.640 -0.001 0.000 0.199 254 D C 1.834 177.870 176.300 -0.440 0.000 0.984 254 D CA 0.954 54.834 54.000 -0.200 0.000 0.834 254 D CB -0.132 40.639 40.800 -0.048 0.000 0.955 254 D HN 0.286 nan 8.370 nan 0.000 0.465 255 E N 0.223 120.286 120.200 -0.228 0.000 2.051 255 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 255 E C 1.993 178.519 176.600 -0.124 0.000 0.991 255 E CA 1.007 57.302 56.400 -0.175 0.000 0.799 255 E CB 0.019 29.699 29.700 -0.033 0.000 0.748 255 E HN 0.165 nan 8.360 nan 0.000 0.449 256 A N 1.351 124.121 122.820 -0.084 0.000 1.883 256 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 256 A C 2.421 179.959 177.584 -0.076 0.000 1.186 256 A CA 2.083 54.085 52.037 -0.058 0.000 0.624 256 A CB -0.909 18.063 19.000 -0.048 0.000 0.822 256 A HN 0.422 nan 8.150 nan 0.000 0.444 257 A N 0.301 123.052 122.820 -0.114 0.000 1.902 257 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 257 A C 2.525 180.096 177.584 -0.021 0.000 1.181 257 A CA 2.511 54.526 52.037 -0.037 0.000 0.623 257 A CB -1.077 17.947 19.000 0.038 0.000 0.818 257 A HN 1.095 nan 8.150 nan 0.000 0.443 258 S N 0.049 115.511 115.700 -0.396 0.000 2.399 258 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 258 S C 1.707 176.404 174.600 0.161 0.000 1.022 258 S CA 1.472 59.571 58.200 -0.169 0.000 0.983 258 S CB -0.702 62.236 63.200 -0.437 0.000 0.803 258 S HN 0.444 nan 8.310 nan 0.000 0.480 259 L N 1.110 122.365 121.223 0.052 0.000 2.551 259 L HA 0.264 4.604 4.340 -0.001 0.000 0.228 259 L C 1.677 178.422 176.870 -0.209 0.000 1.153 259 L CA 0.763 55.601 54.840 -0.004 0.000 0.851 259 L CB -0.410 41.665 42.059 0.026 0.000 0.959 259 L HN 0.582 nan 8.230 nan 0.000 0.451 260 I N -6.191 114.377 120.570 -0.005 0.000 4.160 260 I HA 0.148 4.318 4.170 -0.001 0.000 0.325 260 I C 0.216 176.457 176.117 0.207 0.000 1.455 260 I CA -0.743 60.580 61.300 0.039 0.000 1.142 260 I CB -0.037 37.974 38.000 0.019 0.000 1.262 260 I HN -0.163 nan 8.210 nan 0.000 0.483 261 Y N 3.306 123.760 120.300 0.257 0.000 2.511 261 Y HA 0.453 5.003 4.550 -0.001 0.000 0.332 261 Y C 1.494 177.567 175.900 0.288 0.000 1.177 261 Y CA 1.019 59.288 58.100 0.281 0.000 1.422 261 Y CB 0.838 39.546 38.460 0.414 0.000 1.271 261 Y HN 0.426 nan 8.280 nan 0.000 0.550 262 G N 5.463 113.821 108.800 -0.737 0.000 2.273 262 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.280 262 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.280 262 G C 0.609 175.456 174.900 -0.088 0.000 1.047 262 G CA 0.444 45.286 45.100 -0.431 0.000 0.869 262 G HN 0.785 nan 8.290 nan 0.000 0.502 263 L N -0.071 121.144 121.223 -0.013 0.000 2.261 263 L HA 0.047 4.387 4.340 -0.001 0.000 0.216 263 L C 2.071 178.949 176.870 0.013 0.000 1.114 263 L CA 2.580 57.468 54.840 0.081 0.000 0.777 263 L CB -0.153 41.946 42.059 0.067 0.000 0.910 263 L HN 0.285 nan 8.230 nan 0.000 0.440 264 D N -1.519 118.856 120.400 -0.042 0.000 2.312 264 D HA -0.065 4.574 4.640 -0.001 0.000 0.211 264 D C 2.002 178.275 176.300 -0.044 0.000 0.964 264 D CA 1.456 55.432 54.000 -0.040 0.000 0.877 264 D CB 0.252 41.019 40.800 -0.055 0.000 0.924 264 D HN 0.440 nan 8.370 nan 0.000 0.515 265 V N -3.178 116.699 119.914 -0.062 0.000 3.371 265 V HA 0.244 4.364 4.120 -0.001 0.000 0.246 265 V C 0.415 176.456 176.094 -0.089 0.000 1.303 265 V CA -0.391 61.869 62.300 -0.068 0.000 1.156 265 V CB -0.030 31.747 31.823 -0.078 0.000 0.929 265 V HN -0.134 nan 8.190 nan 0.000 0.459 266 N N 2.934 121.561 118.700 -0.122 0.000 2.442 266 N HA 0.198 4.937 4.740 -0.001 0.000 0.265 266 N C 0.039 175.415 175.510 -0.224 0.000 1.138 266 N CA 0.267 53.164 53.050 -0.254 0.000 0.956 266 N CB 1.508 39.684 38.487 -0.518 0.000 1.067 266 N HN 0.456 nan 8.380 nan 0.000 0.474 267 D N 1.542 121.833 120.400 -0.183 0.000 2.201 267 D HA 0.140 4.780 4.640 -0.001 0.000 0.209 267 D C 0.544 176.770 176.300 -0.124 0.000 0.961 267 D CA 0.910 54.851 54.000 -0.098 0.000 0.861 267 D CB 0.915 41.690 40.800 -0.043 0.000 0.997 267 D HN 0.443 nan 8.370 nan 0.000 0.486 268 I N -0.007 120.452 120.570 -0.184 0.000 2.530 268 I HA 0.229 4.399 4.170 -0.001 0.000 0.297 268 I C -1.178 174.783 176.117 -0.259 0.000 1.011 268 I CA -0.858 60.367 61.300 -0.124 0.000 1.107 268 I CB 1.986 39.996 38.000 0.016 0.000 1.285 268 I HN -0.220 nan 8.210 nan 0.000 0.436 269 Y N 3.543 123.788 120.300 -0.092 0.000 2.376 269 Y HA 0.312 4.862 4.550 -0.000 0.000 0.326 269 Y C 0.363 176.281 175.900 0.031 0.000 0.970 269 Y CA -0.470 57.626 58.100 -0.007 0.000 1.248 269 Y CB 1.927 40.377 38.460 -0.016 0.000 1.117 269 Y HN 0.435 nan 8.280 nan 0.000 0.476 270 S N 3.328 119.119 115.700 0.151 0.000 2.430 270 S HA 0.439 4.909 4.470 -0.001 0.000 0.289 270 S C -0.805 173.803 174.600 0.012 0.000 1.143 270 S CA -0.427 57.817 58.200 0.074 0.000 1.067 270 S CB -0.290 62.965 63.200 0.090 0.000 0.964 270 S HN 0.714 nan 8.310 nan 0.000 0.485 271 C N 4.819 123.941 119.300 -0.296 0.000 2.335 271 C HA 0.432 4.891 4.460 -0.001 0.000 0.318 271 C C 0.726 175.346 174.990 -0.615 0.000 1.150 271 C CA -0.935 57.700 59.018 -0.639 0.000 1.466 271 C CB -0.154 26.480 27.740 -1.844 0.000 2.024 271 C HN 0.820 nan 8.230 nan 0.000 0.429 272 S N 4.236 119.905 115.700 -0.051 0.000 3.812 272 S HA 0.350 4.820 4.470 -0.001 0.000 0.195 272 S C -0.216 174.542 174.600 0.262 0.000 1.460 272 S CA -0.444 57.833 58.200 0.127 0.000 1.052 272 S CB -0.329 63.071 63.200 0.333 0.000 1.385 272 S HN 0.892 nan 8.310 nan 0.000 0.490 273 W N -0.924 120.414 121.300 0.063 0.000 2.926 273 W HA 0.682 5.342 4.660 -0.001 0.000 0.361 273 W C -0.282 176.296 176.519 0.098 0.000 1.195 273 W CA -1.001 56.360 57.345 0.026 0.000 1.177 273 W CB 0.554 29.981 29.460 -0.055 0.000 1.453 273 W HN 0.348 nan 8.180 nan 0.000 0.571 274 G N 0.266 109.279 108.800 0.355 0.000 2.315 274 G HA2 0.456 4.416 3.960 -0.001 0.000 0.294 274 G HA3 0.456 4.416 3.960 -0.001 0.000 0.294 274 G C -3.290 171.684 174.900 0.123 0.000 1.300 274 G CA -1.021 44.151 45.100 0.120 0.000 0.843 274 G HN 0.271 nan 8.290 nan 0.000 0.527 275 P HA 0.431 nan 4.420 nan 0.000 0.267 275 P C 0.404 177.685 177.300 -0.032 0.000 1.201 275 P CA 0.503 63.658 63.100 0.092 0.000 0.775 275 P CB 0.431 32.246 31.700 0.192 0.000 0.854 276 A N 2.032 124.713 122.820 -0.232 0.000 2.580 276 A HA -0.032 4.288 4.320 -0.001 0.000 0.244 276 A C 0.417 177.864 177.584 -0.227 0.000 1.045 276 A CA 0.351 52.185 52.037 -0.338 0.000 0.761 276 A CB -0.465 18.107 19.000 -0.715 0.000 0.962 276 A HN 0.456 nan 8.150 nan 0.000 0.512 277 D N 2.142 122.488 120.400 -0.091 0.000 3.038 277 D HA 0.071 4.711 4.640 -0.001 0.000 0.243 277 D C 0.408 176.698 176.300 -0.016 0.000 1.245 277 D CA 0.283 54.271 54.000 -0.020 0.000 0.871 277 D CB 0.314 41.126 40.800 0.021 0.000 1.089 277 D HN 0.699 nan 8.370 nan 0.000 0.464 278 D N -1.099 119.282 120.400 -0.032 0.000 2.340 278 D HA 0.045 4.684 4.640 -0.001 0.000 0.220 278 D C 1.513 177.827 176.300 0.024 0.000 1.039 278 D CA 0.039 54.045 54.000 0.010 0.000 0.866 278 D CB -0.128 40.695 40.800 0.038 0.000 0.913 278 D HN 0.166 nan 8.370 nan 0.000 0.523 279 G N 0.911 109.719 108.800 0.013 0.000 2.160 279 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.251 279 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.251 279 G C 0.984 175.861 174.900 -0.039 0.000 1.008 279 G CA 0.465 45.546 45.100 -0.032 0.000 0.724 279 G HN 0.491 nan 8.290 nan 0.000 0.514 280 R N -1.565 118.960 120.500 0.041 0.000 2.576 280 R HA 0.178 4.518 4.340 -0.001 0.000 0.237 280 R C 0.400 176.705 176.300 0.009 0.000 0.917 280 R CA -0.268 55.840 56.100 0.014 0.000 1.002 280 R CB 0.426 30.747 30.300 0.035 0.000 1.428 280 R HN 0.489 nan 8.270 nan 0.000 0.603 281 H N 0.528 119.567 119.070 -0.051 0.000 2.615 281 H HA 0.285 4.841 4.556 -0.000 0.000 0.363 281 H C -0.766 174.528 175.328 -0.057 0.000 1.148 281 H CA 0.021 56.043 56.048 -0.042 0.000 1.401 281 H CB 1.089 30.852 29.762 0.003 0.000 1.461 281 H HN -0.118 nan 8.280 nan 0.000 0.588 282 L N 3.256 124.438 121.223 -0.068 0.000 2.529 282 L HA 0.278 4.617 4.340 -0.001 0.000 0.258 282 L C -1.156 175.526 176.870 -0.314 0.000 1.032 282 L CA -0.129 54.514 54.840 -0.328 0.000 0.899 282 L CB 0.302 42.049 42.059 -0.520 0.000 1.174 282 L HN 0.870 nan 8.230 nan 0.000 0.458 283 Q N 2.436 122.189 119.800 -0.079 0.000 2.534 283 Q HA 0.925 5.264 4.340 -0.001 0.000 0.290 283 Q C -1.262 174.983 176.000 0.408 0.000 0.991 283 Q CA -0.675 55.235 55.803 0.179 0.000 0.783 283 Q CB 2.251 31.106 28.738 0.196 0.000 1.470 283 Q HN 0.502 nan 8.270 nan 0.000 0.406 284 G N 0.438 109.447 108.800 0.347 0.000 2.782 284 G HA2 0.672 4.632 3.960 -0.001 0.000 0.304 284 G HA3 0.672 4.632 3.960 -0.001 0.000 0.304 284 G C -3.000 171.804 174.900 -0.159 0.000 1.315 284 G CA -1.317 43.827 45.100 0.074 0.000 0.791 284 G HN 0.494 nan 8.290 nan 0.000 0.519 285 P HA 0.228 nan 4.420 nan 0.000 0.269 285 P C 0.318 177.516 177.300 -0.170 0.000 1.215 285 P CA -0.149 62.683 63.100 -0.446 0.000 0.780 285 P CB 0.869 32.194 31.700 -0.625 0.000 0.898 286 S N 0.691 116.354 115.700 -0.061 0.000 2.624 286 S HA 0.124 4.594 4.470 -0.001 0.000 0.263 286 S C 0.808 175.361 174.600 -0.078 0.000 1.287 286 S CA -0.411 57.765 58.200 -0.040 0.000 0.990 286 S CB 0.372 63.571 63.200 -0.003 0.000 0.950 286 S HN 0.341 nan 8.310 nan 0.000 0.561 287 D N 0.102 120.462 120.400 -0.067 0.000 2.190 287 D HA -0.085 4.554 4.640 -0.001 0.000 0.200 287 D C 1.652 177.906 176.300 -0.077 0.000 0.992 287 D CA 0.800 54.752 54.000 -0.079 0.000 0.854 287 D CB -0.369 40.394 40.800 -0.061 0.000 0.936 287 D HN 0.378 nan 8.370 nan 0.000 0.462 288 L N 0.217 121.406 121.223 -0.057 0.000 2.027 288 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 288 L C 2.389 179.219 176.870 -0.068 0.000 1.074 288 L CA 1.065 55.873 54.840 -0.052 0.000 0.745 288 L CB -0.413 41.627 42.059 -0.032 0.000 0.898 288 L HN -0.097 nan 8.230 nan 0.000 0.433 289 V N -0.705 119.171 119.914 -0.063 0.000 2.427 289 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 289 V C 2.468 178.480 176.094 -0.137 0.000 1.051 289 V CA 1.561 63.821 62.300 -0.068 0.000 1.048 289 V CB -0.621 31.198 31.823 -0.008 0.000 0.666 289 V HN 0.431 nan 8.190 nan 0.000 0.456 290 K N 0.010 120.315 120.400 -0.158 0.000 2.097 290 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 290 K C 2.246 178.726 176.600 -0.199 0.000 1.049 290 K CA 1.325 57.496 56.287 -0.192 0.000 0.933 290 K CB -0.190 32.204 32.500 -0.176 0.000 0.717 290 K HN 0.419 nan 8.250 nan 0.000 0.442 291 K N 0.345 120.650 120.400 -0.157 0.000 2.097 291 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 291 K C 2.194 178.686 176.600 -0.181 0.000 1.050 291 K CA 1.048 57.243 56.287 -0.154 0.000 0.938 291 K CB -0.077 32.362 32.500 -0.102 0.000 0.718 291 K HN 0.112 nan 8.250 nan 0.000 0.442 292 A N 1.520 124.243 122.820 -0.162 0.000 1.902 292 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 292 A C 2.103 179.545 177.584 -0.237 0.000 1.181 292 A CA 1.222 53.167 52.037 -0.154 0.000 0.623 292 A CB -0.597 18.336 19.000 -0.112 0.000 0.818 292 A HN 0.155 nan 8.150 nan 0.000 0.443 293 L N -0.637 120.377 121.223 -0.347 0.000 2.046 293 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 293 L C 2.539 179.013 176.870 -0.660 0.000 1.077 293 L CA 1.014 55.523 54.840 -0.551 0.000 0.747 293 L CB -0.539 41.202 42.059 -0.530 0.000 0.896 293 L HN 0.252 nan 8.230 nan 0.000 0.432 294 V N 0.153 119.656 119.914 -0.684 0.000 2.295 294 V HA -0.327 3.793 4.120 -0.001 0.000 0.246 294 V C 2.567 178.396 176.094 -0.442 0.000 1.049 294 V CA 1.997 63.830 62.300 -0.779 0.000 1.024 294 V CB -0.516 31.012 31.823 -0.491 0.000 0.648 294 V HN 0.451 nan 8.190 nan 0.000 0.447 295 K N 0.205 120.443 120.400 -0.271 0.000 2.097 295 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 295 K C 2.124 178.654 176.600 -0.116 0.000 1.049 295 K CA 1.640 57.837 56.287 -0.150 0.000 0.933 295 K CB -0.583 31.858 32.500 -0.098 0.000 0.717 295 K HN 0.499 nan 8.250 nan 0.000 0.442 296 G N 0.467 109.204 108.800 -0.104 0.000 2.432 296 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 296 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 296 G C 1.379 176.258 174.900 -0.034 0.000 1.135 296 G CA 1.092 46.210 45.100 0.029 0.000 0.767 296 G HN 0.338 nan 8.290 nan 0.000 0.550 297 V N -2.572 117.199 119.914 -0.239 0.000 3.354 297 V HA 0.138 4.257 4.120 -0.001 0.000 0.258 297 V C 2.328 178.271 176.094 -0.251 0.000 1.159 297 V CA 1.859 63.869 62.300 -0.484 0.000 1.125 297 V CB -0.203 30.838 31.823 -1.304 0.000 0.774 297 V HN 0.156 nan 8.190 nan 0.000 0.464 298 T N 0.760 115.225 114.554 -0.150 0.000 2.901 298 T HA 0.070 4.420 4.350 -0.001 0.000 0.252 298 T C 1.694 176.416 174.700 0.037 0.000 1.035 298 T CA 1.697 63.796 62.100 -0.001 0.000 1.142 298 T CB -0.015 68.842 68.868 -0.018 0.000 0.869 298 T HN 0.620 nan 8.240 nan 0.000 0.442 299 E N 0.502 120.706 120.200 0.007 0.000 2.389 299 E HA 0.238 4.588 4.350 -0.001 0.000 0.199 299 E C 1.250 177.871 176.600 0.035 0.000 0.978 299 E CA -0.301 56.114 56.400 0.025 0.000 0.912 299 E CB 0.245 29.951 29.700 0.009 0.000 0.907 299 E HN 0.368 nan 8.360 nan 0.000 0.494 300 G N 1.153 109.974 108.800 0.034 0.000 2.647 300 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.234 300 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.234 300 G C -0.110 174.827 174.900 0.063 0.000 1.252 300 G CA -0.255 44.878 45.100 0.054 0.000 0.846 300 G HN 0.210 nan 8.290 nan 0.000 0.589 301 R N 0.587 121.120 120.500 0.054 0.000 3.225 301 R HA -0.166 4.174 4.340 -0.001 0.000 0.245 301 R C -0.283 176.051 176.300 0.056 0.000 0.928 301 R CA 0.684 56.814 56.100 0.050 0.000 0.632 301 R CB -1.345 28.994 30.300 0.064 0.000 1.038 301 R HN 0.820 nan 8.270 nan 0.000 0.461 302 D N -0.748 119.678 120.400 0.043 0.000 2.689 302 D HA -0.205 4.435 4.640 -0.001 0.000 0.237 302 D C 0.058 176.393 176.300 0.059 0.000 1.148 302 D CA 1.565 55.591 54.000 0.042 0.000 0.656 302 D CB -0.955 39.866 40.800 0.035 0.000 1.050 302 D HN 0.600 nan 8.370 nan 0.000 0.426 303 S N -2.219 113.522 115.700 0.069 0.000 2.857 303 S HA -0.285 4.184 4.470 -0.001 0.000 0.268 303 S C 1.354 176.037 174.600 0.139 0.000 1.297 303 S CA 1.634 59.889 58.200 0.092 0.000 1.280 303 S CB -0.642 62.605 63.200 0.078 0.000 1.562 303 S HN 0.552 nan 8.310 nan 0.000 0.661 304 K N 1.079 121.563 120.400 0.140 0.000 2.365 304 K HA 0.323 4.643 4.320 -0.001 0.000 0.197 304 K C 0.982 177.764 176.600 0.303 0.000 1.042 304 K CA 0.656 57.057 56.287 0.191 0.000 0.987 304 K CB 0.140 32.724 32.500 0.139 0.000 0.779 304 K HN 0.695 nan 8.250 nan 0.000 0.484 305 G N 1.128 110.064 108.800 0.225 0.000 3.190 305 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.686 305 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.686 305 G C -0.414 174.572 174.900 0.143 0.000 1.033 305 G CA -0.513 44.700 45.100 0.188 0.000 0.797 305 G HN 0.291 nan 8.290 nan 0.000 0.567 306 A N 2.911 125.754 122.820 0.038 0.000 2.366 306 A HA 0.684 5.004 4.320 -0.001 0.000 0.249 306 A C 0.751 178.293 177.584 -0.070 0.000 1.084 306 A CA -0.222 51.805 52.037 -0.016 0.000 0.794 306 A CB 0.280 19.266 19.000 -0.024 0.000 1.034 306 A HN 1.197 nan 8.150 nan 0.000 0.491 307 I N 1.741 122.267 120.570 -0.074 0.000 2.307 307 I HA 0.200 4.370 4.170 -0.001 0.000 0.289 307 I C -0.951 175.133 176.117 -0.055 0.000 1.021 307 I CA -0.169 61.124 61.300 -0.011 0.000 1.224 307 I CB -0.296 37.691 38.000 -0.021 0.000 1.376 307 I HN 0.483 nan 8.210 nan 0.000 0.470 308 Y N 5.146 125.583 120.300 0.229 0.000 2.326 308 Y HA 0.461 5.011 4.550 -0.000 0.000 0.337 308 Y C 0.356 176.410 175.900 0.258 0.000 1.023 308 Y CA -0.640 57.611 58.100 0.251 0.000 1.143 308 Y CB 1.620 40.239 38.460 0.264 0.000 1.183 308 Y HN 0.225 nan 8.280 nan 0.000 0.485 309 V N 5.201 125.302 119.914 0.311 0.000 2.444 309 V HA 0.391 4.510 4.120 -0.001 0.000 0.294 309 V C -0.854 175.281 176.094 0.068 0.000 1.022 309 V CA -1.088 61.368 62.300 0.261 0.000 0.850 309 V CB 1.118 33.092 31.823 0.252 0.000 0.992 309 V HN 0.512 nan 8.190 nan 0.000 0.426 310 F N 2.466 122.476 119.950 0.099 0.000 2.520 310 F HA 0.751 5.278 4.527 -0.001 0.000 0.322 310 F C 0.627 176.440 175.800 0.023 0.000 1.103 310 F CA -0.589 57.404 58.000 -0.012 0.000 0.926 310 F CB 1.898 40.870 39.000 -0.046 0.000 1.154 310 F HN 0.573 nan 8.300 nan 0.000 0.453 311 A N 1.763 124.676 122.820 0.156 0.000 2.450 311 A HA 0.330 4.650 4.320 -0.001 0.000 0.255 311 A C 1.175 178.863 177.584 0.175 0.000 1.096 311 A CA 0.300 52.424 52.037 0.144 0.000 0.778 311 A CB 0.119 19.186 19.000 0.111 0.000 1.031 311 A HN 0.984 nan 8.150 nan 0.000 0.494 312 S N 2.337 118.131 115.700 0.157 0.000 2.400 312 S HA 0.291 4.760 4.470 -0.001 0.000 0.232 312 S C 1.074 175.761 174.600 0.143 0.000 1.025 312 S CA 0.882 59.170 58.200 0.147 0.000 0.993 312 S CB -0.717 62.556 63.200 0.122 0.000 0.808 312 S HN 2.645 nan 8.310 nan 0.000 0.478 313 G N 0.337 109.224 108.800 0.145 0.000 2.375 313 G HA2 0.086 4.045 3.960 -0.001 0.000 0.663 313 G HA3 0.086 4.045 3.960 -0.001 0.000 0.663 313 G C -0.765 174.227 174.900 0.153 0.000 1.391 313 G CA -0.384 44.796 45.100 0.134 0.000 0.949 313 G HN 0.138 nan 8.290 nan 0.000 0.646 314 N N -0.014 118.761 118.700 0.125 0.000 2.234 314 N HA 0.196 4.936 4.740 -0.001 0.000 0.227 314 N C 1.545 177.131 175.510 0.126 0.000 1.151 314 N CA 0.590 53.730 53.050 0.151 0.000 0.865 314 N CB 1.313 39.817 38.487 0.029 0.000 1.066 314 N HN 0.930 nan 8.380 nan 0.000 0.515 315 G N -0.224 108.634 108.800 0.096 0.000 3.314 315 G HA2 0.083 4.042 3.960 -0.001 0.000 0.238 315 G HA3 0.083 4.042 3.960 -0.001 0.000 0.238 315 G C 1.332 176.267 174.900 0.060 0.000 1.184 315 G CA 0.102 45.240 45.100 0.064 0.000 0.806 315 G HN 0.273 nan 8.290 nan 0.000 0.536 316 G N 0.733 109.584 108.800 0.085 0.000 2.498 316 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.219 316 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.219 316 G C 1.656 176.582 174.900 0.045 0.000 1.119 316 G CA 1.628 46.766 45.100 0.064 0.000 0.766 316 G HN 0.534 nan 8.290 nan 0.000 0.552 317 T N -3.132 111.452 114.554 0.050 0.000 3.086 317 T HA 0.274 4.624 4.350 -0.001 0.000 0.250 317 T C 1.644 176.356 174.700 0.021 0.000 1.074 317 T CA -0.313 61.807 62.100 0.033 0.000 0.988 317 T CB 0.184 69.078 68.868 0.042 0.000 0.988 317 T HN 0.255 nan 8.240 nan 0.000 0.530 318 R N 0.477 120.988 120.500 0.018 0.000 2.577 318 R HA 0.425 4.765 4.340 -0.001 0.000 0.344 318 R C 1.407 177.698 176.300 -0.015 0.000 1.037 318 R CA 0.114 56.217 56.100 0.004 0.000 1.102 318 R CB 0.460 30.765 30.300 0.009 0.000 1.313 318 R HN 0.439 nan 8.270 nan 0.000 0.561 319 G N 1.532 110.320 108.800 -0.019 0.000 2.155 319 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.257 319 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.257 319 G C -0.102 174.752 174.900 -0.076 0.000 0.983 319 G CA 0.512 45.585 45.100 -0.045 0.000 0.676 319 G HN 0.398 nan 8.290 nan 0.000 0.528 320 D N 0.234 120.604 120.400 -0.050 0.000 2.344 320 D HA 0.469 5.109 4.640 -0.001 0.000 0.244 320 D C 0.217 176.501 176.300 -0.027 0.000 1.134 320 D CA -0.222 53.739 54.000 -0.064 0.000 0.930 320 D CB 0.509 41.307 40.800 -0.003 0.000 1.175 320 D HN 0.222 nan 8.370 nan 0.000 0.437 321 N N 1.198 119.898 118.700 0.001 0.000 2.287 321 N HA 0.056 4.796 4.740 -0.001 0.000 0.289 321 N C 0.442 176.130 175.510 0.297 0.000 1.066 321 N CA -0.650 52.484 53.050 0.141 0.000 0.841 321 N CB 1.221 39.811 38.487 0.172 0.000 1.599 321 N HN 0.525 nan 8.380 nan 0.000 0.476 322 c N 1.494 120.243 118.600 0.248 0.000 2.485 322 c HA 0.216 4.786 4.570 -0.001 0.000 0.283 322 c C 1.349 175.637 174.090 0.329 0.000 1.478 322 c CA -0.436 56.050 56.329 0.262 0.000 1.741 322 c CB -1.553 41.066 42.510 0.181 0.000 1.675 322 c HN 0.550 nan 8.230 nan 0.000 0.573 323 N N -0.282 118.683 118.700 0.442 0.000 2.322 323 N HA 0.125 4.865 4.740 -0.001 0.000 0.194 323 N C 0.180 175.981 175.510 0.485 0.000 1.126 323 N CA 0.321 53.641 53.050 0.450 0.000 0.845 323 N CB -0.125 38.628 38.487 0.443 0.000 0.976 323 N HN 0.758 nan 8.380 nan 0.000 0.475 324 Y N -0.816 119.723 120.300 0.398 0.000 2.584 324 Y HA 0.224 4.774 4.550 -0.001 0.000 0.254 324 Y C -0.010 176.025 175.900 0.225 0.000 1.177 324 Y CA -0.577 57.651 58.100 0.213 0.000 1.216 324 Y CB 0.698 39.211 38.460 0.088 0.000 1.172 324 Y HN -0.115 nan 8.280 nan 0.000 0.529 325 D N -0.223 120.460 120.400 0.472 0.000 2.505 325 D HA 0.198 4.837 4.640 -0.001 0.000 0.250 325 D C 1.046 177.544 176.300 0.329 0.000 1.164 325 D CA -0.397 53.834 54.000 0.384 0.000 0.870 325 D CB 1.620 42.584 40.800 0.273 0.000 1.160 325 D HN 0.287 nan 8.370 nan 0.000 0.549 326 G N 2.188 111.180 108.800 0.320 0.000 2.625 326 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.214 326 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.214 326 G C 0.667 175.353 174.900 -0.357 0.000 1.132 326 G CA 0.699 45.741 45.100 -0.097 0.000 0.782 326 G HN 0.491 nan 8.290 nan 0.000 0.538 327 Y N 0.888 121.025 120.300 -0.272 0.000 2.262 327 Y HA 0.006 4.556 4.550 -0.001 0.000 0.295 327 Y C 3.195 178.692 175.900 -0.671 0.000 1.121 327 Y CA 1.455 59.144 58.100 -0.685 0.000 1.144 327 Y CB -0.476 37.316 38.460 -1.113 0.000 1.043 327 Y HN 0.206 nan 8.280 nan 0.000 0.528 328 T N -1.615 112.815 114.554 -0.206 0.000 2.995 328 T HA -0.139 4.211 4.350 -0.001 0.000 0.269 328 T C 1.080 175.773 174.700 -0.011 0.000 1.091 328 T CA 1.187 63.248 62.100 -0.065 0.000 1.128 328 T CB -0.804 68.106 68.868 0.069 0.000 0.891 328 T HN 0.612 nan 8.240 nan 0.000 0.492 329 N N 0.507 119.184 118.700 -0.038 0.000 2.235 329 N HA 0.116 4.856 4.740 -0.001 0.000 0.209 329 N C 0.361 175.773 175.510 -0.164 0.000 1.122 329 N CA -0.415 52.615 53.050 -0.034 0.000 0.845 329 N CB 0.338 38.849 38.487 0.040 0.000 1.004 329 N HN 0.198 nan 8.380 nan 0.000 0.499 330 S N 0.919 116.481 115.700 -0.231 0.000 2.565 330 S HA 0.144 4.614 4.470 -0.001 0.000 0.276 330 S C 1.363 175.755 174.600 -0.347 0.000 1.326 330 S CA -0.929 57.071 58.200 -0.334 0.000 1.045 330 S CB 0.486 63.496 63.200 -0.317 0.000 0.918 330 S HN 0.398 nan 8.310 nan 0.000 0.505 331 I N 2.226 122.400 120.570 -0.661 0.000 2.928 331 I HA 0.045 4.215 4.170 -0.001 0.000 0.266 331 I C 0.906 176.685 176.117 -0.563 0.000 1.234 331 I CA 0.843 61.612 61.300 -0.885 0.000 1.483 331 I CB -0.410 36.678 38.000 -1.520 0.000 1.097 331 I HN 0.703 nan 8.210 nan 0.000 0.455 332 Y N 2.332 122.490 120.300 -0.237 0.000 2.583 332 Y HA 0.112 4.661 4.550 -0.001 0.000 0.293 332 Y C 1.587 177.526 175.900 0.066 0.000 1.157 332 Y CA -0.029 57.948 58.100 -0.206 0.000 1.315 332 Y CB -0.063 38.143 38.460 -0.423 0.000 1.021 332 Y HN 0.321 nan 8.280 nan 0.000 0.536 333 S N -0.219 115.604 115.700 0.204 0.000 2.648 333 S HA 0.615 5.084 4.470 -0.001 0.000 0.305 333 S C -0.796 174.003 174.600 0.332 0.000 1.094 333 S CA -0.900 57.506 58.200 0.343 0.000 0.983 333 S CB 1.684 65.089 63.200 0.342 0.000 1.101 333 S HN 0.132 nan 8.310 nan 0.000 0.514 334 I N 2.254 123.043 120.570 0.364 0.000 2.330 334 I HA 0.231 4.401 4.170 -0.001 0.000 0.286 334 I C -0.145 176.156 176.117 0.307 0.000 1.025 334 I CA -0.368 61.124 61.300 0.319 0.000 1.197 334 I CB 1.371 39.555 38.000 0.307 0.000 1.358 334 I HN 0.632 nan 8.210 nan 0.000 0.467 335 T N 7.088 121.798 114.554 0.259 0.000 2.761 335 T HA 0.380 4.729 4.350 -0.001 0.000 0.296 335 T C 0.109 174.929 174.700 0.201 0.000 0.934 335 T CA -0.101 62.136 62.100 0.228 0.000 1.091 335 T CB 0.569 69.547 68.868 0.184 0.000 0.896 335 T HN 0.196 nan 8.240 nan 0.000 0.515 336 I N 3.667 124.348 120.570 0.186 0.000 2.382 336 I HA 0.415 4.584 4.170 -0.001 0.000 0.286 336 I C 0.960 177.147 176.117 0.117 0.000 1.002 336 I CA -0.474 60.913 61.300 0.146 0.000 1.135 336 I CB 1.037 39.118 38.000 0.135 0.000 1.288 336 I HN 0.687 nan 8.210 nan 0.000 0.448 337 G N 4.360 113.214 108.800 0.091 0.000 2.532 337 G HA2 0.768 4.728 3.960 -0.001 0.000 0.291 337 G HA3 0.768 4.728 3.960 -0.001 0.000 0.291 337 G C -0.821 174.117 174.900 0.063 0.000 1.349 337 G CA -0.394 44.750 45.100 0.073 0.000 1.038 337 G HN 0.710 nan 8.290 nan 0.000 0.518 338 A N -0.931 121.918 122.820 0.049 0.000 2.423 338 A HA 0.836 5.155 4.320 -0.001 0.000 0.304 338 A C -0.586 176.993 177.584 -0.009 0.000 1.104 338 A CA -0.703 51.355 52.037 0.035 0.000 0.757 338 A CB 1.252 20.322 19.000 0.117 0.000 1.313 338 A HN 1.319 nan 8.150 nan 0.000 0.423 339 I N -1.135 119.434 120.570 -0.003 0.000 2.802 339 I HA 0.624 4.794 4.170 -0.001 0.000 0.298 339 I C -0.947 175.241 176.117 0.119 0.000 1.176 339 I CA -1.016 60.298 61.300 0.022 0.000 1.025 339 I CB 2.288 40.293 38.000 0.007 0.000 1.243 339 I HN 0.692 nan 8.210 nan 0.000 0.424 340 D N 2.406 122.854 120.400 0.081 0.000 2.478 340 D HA 0.089 4.729 4.640 -0.001 0.000 0.269 340 D C 1.170 177.513 176.300 0.072 0.000 1.232 340 D CA -0.084 53.977 54.000 0.102 0.000 1.059 340 D CB 0.151 40.908 40.800 -0.073 0.000 1.104 340 D HN 0.758 nan 8.370 nan 0.000 0.566 341 H N -1.100 117.628 119.070 -0.570 0.000 2.568 341 H HA 0.049 4.605 4.556 -0.001 0.000 0.281 341 H C 0.028 174.949 175.328 -0.678 0.000 1.028 341 H CA 0.624 56.099 56.048 -0.955 0.000 1.199 341 H CB -0.133 28.506 29.762 -1.870 0.000 1.352 341 H HN 0.385 nan 8.280 nan 0.000 0.605 342 K N 0.321 120.182 120.400 -0.899 0.000 2.438 342 K HA 0.059 4.378 4.320 -0.001 0.000 0.205 342 K C -0.509 175.912 176.600 -0.297 0.000 1.033 342 K CA 0.149 55.878 56.287 -0.930 0.000 1.089 342 K CB 0.852 32.695 32.500 -1.095 0.000 0.857 342 K HN 0.048 nan 8.250 nan 0.000 0.522 343 D N 1.143 121.505 120.400 -0.062 0.000 2.945 343 D HA -0.163 4.477 4.640 -0.001 0.000 0.225 343 D C -0.849 175.466 176.300 0.025 0.000 1.158 343 D CA 0.879 54.919 54.000 0.066 0.000 0.805 343 D CB -0.985 39.860 40.800 0.075 0.000 1.098 343 D HN 0.227 nan 8.370 nan 0.000 0.426 344 L N -0.323 120.891 121.223 -0.016 0.000 2.344 344 L HA 0.450 4.790 4.340 -0.001 0.000 0.272 344 L C 0.797 177.722 176.870 0.092 0.000 1.035 344 L CA -1.096 53.763 54.840 0.033 0.000 0.807 344 L CB 1.238 43.257 42.059 -0.067 0.000 1.237 344 L HN 0.089 nan 8.230 nan 0.000 0.442 345 H N 2.897 122.010 119.070 0.073 0.000 2.878 345 H HA 0.241 4.797 4.556 -0.001 0.000 0.290 345 H C -2.429 172.782 175.328 -0.196 0.000 1.065 345 H CA -1.531 54.480 56.048 -0.061 0.000 1.477 345 H CB 0.824 30.493 29.762 -0.156 0.000 1.484 345 H HN 0.164 nan 8.280 nan 0.000 0.504 346 P HA 0.114 nan 4.420 nan 0.000 0.282 346 P C -2.230 174.306 177.300 -1.273 0.000 1.274 346 P CA -1.565 60.950 63.100 -0.976 0.000 0.770 346 P CB 1.278 32.231 31.700 -1.245 0.000 0.867 347 P HA -0.231 nan 4.420 nan 0.000 0.218 347 P C 1.096 178.243 177.300 -0.255 0.000 1.146 347 P CA 1.418 64.293 63.100 -0.376 0.000 0.820 347 P CB -0.503 31.113 31.700 -0.141 0.000 0.778 348 Y N -1.821 118.389 120.300 -0.151 0.000 2.373 348 Y HA 0.117 4.666 4.550 -0.001 0.000 0.293 348 Y C 1.145 177.017 175.900 -0.046 0.000 1.129 348 Y CA -0.210 57.848 58.100 -0.070 0.000 1.226 348 Y CB -1.604 36.827 38.460 -0.049 0.000 1.000 348 Y HN -0.230 nan 8.280 nan 0.000 0.549 349 S N 2.016 117.565 115.700 -0.250 0.000 2.509 349 S HA 0.011 4.480 4.470 -0.001 0.000 0.287 349 S C -0.064 174.598 174.600 0.102 0.000 1.248 349 S CA -0.480 57.721 58.200 0.002 0.000 1.089 349 S CB -0.216 62.873 63.200 -0.185 0.000 0.900 349 S HN 0.534 nan 8.310 nan 0.000 0.496 350 E N 2.736 123.007 120.200 0.119 0.000 2.366 350 E HA 0.485 4.835 4.350 -0.001 0.000 0.266 350 E C 0.506 177.135 176.600 0.048 0.000 1.051 350 E CA -0.268 56.185 56.400 0.088 0.000 0.884 350 E CB 0.944 30.707 29.700 0.106 0.000 1.006 350 E HN 0.722 nan 8.360 nan 0.000 0.417 351 G N 0.289 109.096 108.800 0.012 0.000 2.630 351 G HA2 0.673 4.633 3.960 -0.001 0.000 0.296 351 G HA3 0.673 4.633 3.960 -0.001 0.000 0.296 351 G C -0.950 173.978 174.900 0.047 0.000 1.285 351 G CA -0.436 44.644 45.100 -0.032 0.000 0.958 351 G HN 0.807 nan 8.290 nan 0.000 0.479 352 c N -1.813 116.819 118.600 0.053 0.000 3.034 352 c HA 0.556 5.125 4.570 -0.001 0.000 0.336 352 c C 1.303 175.386 174.090 -0.012 0.000 1.304 352 c CA -0.029 56.375 56.329 0.125 0.000 1.197 352 c CB 0.979 43.594 42.510 0.174 0.000 1.373 352 c HN 1.358 nan 8.230 nan 0.000 0.459 353 S N 0.258 115.909 115.700 -0.081 0.000 2.603 353 S HA 0.216 4.686 4.470 -0.001 0.000 0.229 353 S C 1.181 175.749 174.600 -0.052 0.000 0.972 353 S CA 1.077 59.065 58.200 -0.353 0.000 0.935 353 S CB -0.327 62.733 63.200 -0.235 0.000 0.769 353 S HN 1.936 nan 8.310 nan 0.000 0.536 354 A N 0.697 123.551 122.820 0.056 0.000 2.303 354 A HA 0.516 4.835 4.320 -0.001 0.000 0.217 354 A C 0.670 178.346 177.584 0.152 0.000 1.205 354 A CA -0.216 51.892 52.037 0.118 0.000 0.875 354 A CB 0.025 19.099 19.000 0.122 0.000 0.910 354 A HN 0.373 nan 8.150 nan 0.000 0.501 355 V N 1.192 121.187 119.914 0.135 0.000 2.529 355 V HA -0.013 4.107 4.120 -0.001 0.000 0.292 355 V C 1.312 177.535 176.094 0.216 0.000 1.028 355 V CA 0.616 62.997 62.300 0.135 0.000 1.074 355 V CB 0.820 32.663 31.823 0.034 0.000 0.958 355 V HN 0.708 nan 8.190 nan 0.000 0.481 356 M N 4.532 124.269 119.600 0.229 0.000 2.325 356 M HA 0.414 4.894 4.480 -0.001 0.000 0.265 356 M C 0.610 177.092 176.300 0.303 0.000 1.094 356 M CA 1.517 56.992 55.300 0.292 0.000 1.161 356 M CB 0.330 33.066 32.600 0.227 0.000 1.358 356 M HN 0.769 nan 8.290 nan 0.000 0.446 357 A N -0.660 122.286 122.820 0.211 0.000 2.564 357 A HA 0.595 4.914 4.320 -0.001 0.000 0.291 357 A C -1.351 176.308 177.584 0.124 0.000 1.102 357 A CA -0.409 51.738 52.037 0.182 0.000 0.660 357 A CB 0.760 19.865 19.000 0.175 0.000 1.283 357 A HN 0.351 nan 8.150 nan 0.000 0.430 358 V N -2.444 117.531 119.914 0.101 0.000 2.960 358 V HA 0.996 5.115 4.120 -0.001 0.000 0.315 358 V C -0.257 175.815 176.094 -0.036 0.000 1.087 358 V CA 0.025 62.357 62.300 0.053 0.000 0.982 358 V CB 1.364 33.243 31.823 0.093 0.000 1.039 358 V HN 1.580 nan 8.190 nan 0.000 0.437 359 T N 0.435 114.938 114.554 -0.085 0.000 2.787 359 T HA 0.617 4.967 4.350 -0.001 0.000 0.297 359 T C -1.318 173.264 174.700 -0.197 0.000 1.221 359 T CA -0.449 61.538 62.100 -0.189 0.000 1.006 359 T CB 1.404 70.240 68.868 -0.054 0.000 1.328 359 T HN 0.636 nan 8.240 nan 0.000 0.509 360 Y N 1.294 121.672 120.300 0.130 0.000 2.480 360 Y HA 0.517 5.066 4.550 -0.001 0.000 0.338 360 Y C 1.251 177.235 175.900 0.139 0.000 1.220 360 Y CA 0.607 58.831 58.100 0.207 0.000 1.430 360 Y CB 0.852 39.487 38.460 0.292 0.000 1.311 360 Y HN 0.582 nan 8.280 nan 0.000 0.575 361 S N -0.166 115.816 115.700 0.470 0.000 2.761 361 S HA 0.394 4.863 4.470 -0.001 0.000 0.290 361 S C -1.150 173.691 174.600 0.401 0.000 1.222 361 S CA -0.526 57.855 58.200 0.302 0.000 0.954 361 S CB -0.042 63.276 63.200 0.196 0.000 1.281 361 S HN 0.729 nan 8.310 nan 0.000 0.527 362 S N 0.260 116.103 115.700 0.238 0.000 2.576 362 S HA 0.712 5.181 4.470 -0.001 0.000 0.276 362 S C 0.392 175.031 174.600 0.064 0.000 1.339 362 S CA 0.339 58.587 58.200 0.080 0.000 1.039 362 S CB 0.350 63.514 63.200 -0.060 0.000 0.902 362 S HN 1.835 nan 8.310 nan 0.000 0.516 363 G N 0.233 108.949 108.800 -0.140 0.000 2.368 363 G HA2 0.396 4.356 3.960 -0.001 0.000 0.303 363 G HA3 0.396 4.356 3.960 -0.001 0.000 0.303 363 G C -0.236 174.589 174.900 -0.125 0.000 1.590 363 G CA -0.351 44.678 45.100 -0.118 0.000 0.938 363 G HN 1.588 nan 8.290 nan 0.000 0.675 364 S N -1.087 114.545 115.700 -0.113 0.000 3.521 364 S HA 0.070 4.540 4.470 -0.001 0.000 0.362 364 S C 2.156 176.769 174.600 0.022 0.000 1.044 364 S CA 2.619 60.775 58.200 -0.073 0.000 1.091 364 S CB -1.302 61.792 63.200 -0.177 0.000 0.908 364 S HN 2.894 nan 8.310 nan 0.000 0.473 365 G N -1.043 107.711 108.800 -0.076 0.000 2.232 365 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.226 365 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.226 365 G C -0.274 174.520 174.900 -0.176 0.000 0.996 365 G CA 0.277 45.342 45.100 -0.060 0.000 0.626 365 G HN 0.536 nan 8.290 nan 0.000 0.509 366 E N -0.682 119.280 120.200 -0.396 0.000 2.281 366 E HA 0.787 5.136 4.350 -0.001 0.000 0.262 366 E C -0.903 175.501 176.600 -0.327 0.000 0.933 366 E CA -0.524 55.661 56.400 -0.358 0.000 0.809 366 E CB 1.650 30.767 29.700 -0.971 0.000 1.242 366 E HN 0.251 nan 8.360 nan 0.000 0.418 367 Y N -0.557 119.869 120.300 0.209 0.000 2.705 367 Y HA 0.403 4.952 4.550 -0.001 0.000 0.332 367 Y C 0.060 176.073 175.900 0.189 0.000 1.157 367 Y CA -1.018 57.162 58.100 0.134 0.000 1.091 367 Y CB 0.891 39.305 38.460 -0.076 0.000 1.301 367 Y HN 0.252 nan 8.280 nan 0.000 0.488 368 I N 1.962 122.625 120.570 0.155 0.000 2.315 368 I HA 0.172 4.341 4.170 -0.001 0.000 0.291 368 I C -0.671 175.397 176.117 -0.082 0.000 1.006 368 I CA -0.803 60.468 61.300 -0.048 0.000 1.265 368 I CB 0.138 38.043 38.000 -0.158 0.000 1.387 368 I HN 0.571 nan 8.210 nan 0.000 0.475 369 H N 4.003 123.117 119.070 0.073 0.000 2.652 369 H HA 0.528 5.084 4.556 -0.001 0.000 0.298 369 H C 0.226 175.608 175.328 0.090 0.000 1.076 369 H CA 0.071 56.174 56.048 0.093 0.000 1.360 369 H CB 1.313 31.128 29.762 0.087 0.000 1.421 369 H HN 0.591 nan 8.280 nan 0.000 0.464 370 S N 1.561 117.340 115.700 0.132 0.000 2.880 370 S HA 0.546 5.016 4.470 -0.001 0.000 0.308 370 S C -0.412 174.208 174.600 0.032 0.000 1.195 370 S CA -0.483 57.773 58.200 0.094 0.000 0.866 370 S CB 0.355 63.598 63.200 0.071 0.000 1.254 370 S HN 0.658 nan 8.310 nan 0.000 0.571 371 S N 0.865 116.583 115.700 0.029 0.000 2.634 371 S HA 0.689 5.159 4.470 -0.001 0.000 0.261 371 S C -0.626 173.972 174.600 -0.004 0.000 1.271 371 S CA -0.172 58.044 58.200 0.027 0.000 0.985 371 S CB 0.780 64.037 63.200 0.095 0.000 0.968 371 S HN 0.768 nan 8.310 nan 0.000 0.568 372 D N -1.487 118.926 120.400 0.022 0.000 2.692 372 D HA 0.371 5.011 4.640 -0.001 0.000 0.290 372 D C -0.537 175.786 176.300 0.037 0.000 1.281 372 D CA -0.733 53.275 54.000 0.014 0.000 0.804 372 D CB 1.085 41.881 40.800 -0.007 0.000 1.331 372 D HN 0.710 nan 8.370 nan 0.000 0.432 373 I N -0.981 119.610 120.570 0.034 0.000 3.079 373 I HA 0.421 4.590 4.170 -0.001 0.000 0.295 373 I C 0.198 176.325 176.117 0.017 0.000 1.094 373 I CA -0.513 60.797 61.300 0.017 0.000 1.295 373 I CB 0.453 38.464 38.000 0.019 0.000 1.443 373 I HN 0.374 nan 8.210 nan 0.000 0.607 374 N N 2.455 121.154 118.700 -0.001 0.000 2.754 374 N HA -0.181 4.559 4.740 -0.001 0.000 0.248 374 N C 0.911 176.443 175.510 0.036 0.000 1.093 374 N CA 1.131 54.182 53.050 0.002 0.000 0.699 374 N CB -1.604 36.882 38.487 -0.001 0.000 1.016 374 N HN 1.362 nan 8.380 nan 0.000 0.552 375 G N -0.666 108.177 108.800 0.072 0.000 2.212 375 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.267 375 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.267 375 G C 0.319 175.353 174.900 0.225 0.000 1.002 375 G CA 1.201 46.410 45.100 0.181 0.000 0.729 375 G HN 0.629 nan 8.290 nan 0.000 0.517 376 R N -1.340 119.224 120.500 0.106 0.000 2.782 376 R HA 0.646 4.986 4.340 -0.001 0.000 0.258 376 R C 0.131 176.414 176.300 -0.030 0.000 1.055 376 R CA -0.348 55.767 56.100 0.025 0.000 1.065 376 R CB 1.096 31.397 30.300 0.001 0.000 1.172 376 R HN 0.221 nan 8.270 nan 0.000 0.510 377 c N 0.809 119.352 118.600 -0.095 0.000 2.364 377 c HA 0.426 4.996 4.570 -0.001 0.000 0.356 377 c C 0.516 174.578 174.090 -0.047 0.000 1.201 377 c CA -0.815 55.453 56.329 -0.102 0.000 2.227 377 c CB 1.115 43.539 42.510 -0.144 0.000 2.387 377 c HN 0.801 nan 8.230 nan 0.000 0.546 378 S N 1.698 117.379 115.700 -0.032 0.000 2.442 378 S HA 0.347 4.817 4.470 -0.001 0.000 0.297 378 S C -0.001 174.581 174.600 -0.030 0.000 1.131 378 S CA -0.543 57.631 58.200 -0.043 0.000 1.092 378 S CB 0.450 63.611 63.200 -0.064 0.000 0.998 378 S HN 0.749 nan 8.310 nan 0.000 0.478 379 N N 1.562 120.219 118.700 -0.072 0.000 2.187 379 N HA 0.172 4.912 4.740 -0.001 0.000 0.212 379 N C -0.202 175.104 175.510 -0.340 0.000 1.152 379 N CA -0.089 52.875 53.050 -0.143 0.000 0.872 379 N CB 0.933 39.455 38.487 0.059 0.000 1.025 379 N HN 0.550 nan 8.380 nan 0.000 0.514 380 S N -0.430 115.115 115.700 -0.258 0.000 2.846 380 S HA 0.060 4.530 4.470 -0.001 0.000 0.249 380 S C -0.153 174.471 174.600 0.041 0.000 1.028 380 S CA -0.431 57.557 58.200 -0.354 0.000 1.043 380 S CB 0.456 63.395 63.200 -0.434 0.000 0.990 380 S HN 0.333 nan 8.310 nan 0.000 0.564 381 H N 1.853 120.904 119.070 -0.032 0.000 2.815 381 H HA 0.588 5.144 4.556 -0.001 0.000 0.350 381 H C 0.578 175.970 175.328 0.105 0.000 1.080 381 H CA 1.317 57.381 56.048 0.026 0.000 1.433 381 H CB 0.311 30.060 29.762 -0.023 0.000 1.432 381 H HN 0.405 nan 8.280 nan 0.000 0.592 382 G N 0.919 109.637 108.800 -0.137 0.000 2.494 382 G HA2 0.526 4.486 3.960 -0.001 0.000 0.308 382 G HA3 0.526 4.486 3.960 -0.001 0.000 0.308 382 G C -0.260 174.495 174.900 -0.243 0.000 1.263 382 G CA 0.081 45.093 45.100 -0.148 0.000 0.840 382 G HN 1.165 nan 8.290 nan 0.000 0.479 383 G N -1.993 106.593 108.800 -0.356 0.000 2.828 383 G HA2 0.234 4.193 3.960 -0.001 0.000 0.463 383 G HA3 0.234 4.193 3.960 -0.001 0.000 0.463 383 G C 1.129 175.958 174.900 -0.118 0.000 1.394 383 G CA 0.727 45.455 45.100 -0.619 0.000 0.862 383 G HN 2.213 nan 8.290 nan 0.000 0.540 384 T N -2.290 112.288 114.554 0.041 0.000 3.051 384 T HA 0.056 4.406 4.350 -0.001 0.000 0.269 384 T C 2.358 177.096 174.700 0.064 0.000 1.127 384 T CA 2.086 64.266 62.100 0.134 0.000 1.107 384 T CB -0.123 68.847 68.868 0.170 0.000 0.898 384 T HN 0.847 nan 8.240 nan 0.000 0.517 385 S N 1.487 117.210 115.700 0.039 0.000 2.419 385 S HA 0.132 4.602 4.470 -0.001 0.000 0.233 385 S C 2.367 176.934 174.600 -0.056 0.000 1.016 385 S CA 0.890 59.138 58.200 0.080 0.000 0.974 385 S CB -0.489 62.858 63.200 0.243 0.000 0.786 385 S HN 0.803 nan 8.310 nan 0.000 0.492 386 A N 0.393 123.065 122.820 -0.247 0.000 2.132 386 A HA 0.552 4.872 4.320 -0.001 0.000 0.213 386 A C 2.066 179.577 177.584 -0.122 0.000 1.154 386 A CA 0.918 52.740 52.037 -0.359 0.000 0.753 386 A CB -0.394 18.206 19.000 -0.665 0.000 0.826 386 A HN 0.450 nan 8.150 nan 0.000 0.469 387 A N 0.079 122.878 122.820 -0.036 0.000 1.878 387 A HA 0.348 4.668 4.320 -0.001 0.000 0.213 387 A C 2.446 180.042 177.584 0.021 0.000 1.192 387 A CA 1.444 53.489 52.037 0.013 0.000 0.619 387 A CB -1.007 18.026 19.000 0.055 0.000 0.837 387 A HN 0.908 nan 8.150 nan 0.000 0.446 388 A N 0.537 123.381 122.820 0.041 0.000 1.892 388 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 388 A C 0.177 177.788 177.584 0.043 0.000 1.188 388 A CA 2.105 54.175 52.037 0.055 0.000 0.631 388 A CB -1.782 17.251 19.000 0.055 0.000 0.822 388 A HN 0.436 nan 8.150 nan 0.000 0.447 389 P HA -0.120 nan 4.420 nan 0.000 0.216 389 P C 1.401 178.721 177.300 0.034 0.000 1.150 389 P CA 0.808 63.940 63.100 0.053 0.000 0.837 389 P CB -0.122 31.622 31.700 0.072 0.000 0.786 390 L N -1.400 119.830 121.223 0.012 0.000 2.141 390 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 390 L C 2.394 179.227 176.870 -0.062 0.000 1.094 390 L CA 1.450 56.297 54.840 0.010 0.000 0.763 390 L CB -1.066 41.006 42.059 0.023 0.000 0.908 390 L HN -0.020 nan 8.230 nan 0.000 0.437 391 A N 0.140 122.895 122.820 -0.108 0.000 1.872 391 A HA -0.090 4.230 4.320 -0.001 0.000 0.214 391 A C 2.545 179.854 177.584 -0.460 0.000 1.187 391 A CA 1.468 53.308 52.037 -0.328 0.000 0.614 391 A CB -0.614 18.280 19.000 -0.176 0.000 0.826 391 A HN 0.362 nan 8.150 nan 0.000 0.442 392 A N -0.411 122.360 122.820 -0.082 0.000 1.933 392 A HA 0.104 4.423 4.320 -0.001 0.000 0.218 392 A C 2.350 179.960 177.584 0.044 0.000 1.175 392 A CA 1.942 54.036 52.037 0.094 0.000 0.628 392 A CB -1.282 17.791 19.000 0.121 0.000 0.814 392 A HN 0.697 nan 8.150 nan 0.000 0.444 393 G N -0.720 108.082 108.800 0.002 0.000 2.402 393 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.216 393 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.216 393 G C 1.485 176.386 174.900 0.003 0.000 1.162 393 G CA 1.119 46.242 45.100 0.038 0.000 0.777 393 G HN 0.305 nan 8.290 nan 0.000 0.539 394 V N 0.130 119.978 119.914 -0.111 0.000 2.407 394 V HA -0.159 3.961 4.120 -0.001 0.000 0.248 394 V C 2.439 178.500 176.094 -0.055 0.000 1.055 394 V CA 1.230 63.451 62.300 -0.132 0.000 1.049 394 V CB -0.655 31.022 31.823 -0.243 0.000 0.662 394 V HN 0.419 nan 8.190 nan 0.000 0.455 395 Y N 1.153 121.476 120.300 0.037 0.000 2.421 395 Y HA -0.163 4.387 4.550 -0.001 0.000 0.292 395 Y C 2.863 178.777 175.900 0.024 0.000 1.136 395 Y CA 1.182 59.300 58.100 0.029 0.000 1.255 395 Y CB -1.583 36.902 38.460 0.042 0.000 0.991 395 Y HN 0.509 nan 8.280 nan 0.000 0.552 396 T N -2.283 112.360 114.554 0.149 0.000 2.821 396 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 396 T C 1.928 176.671 174.700 0.071 0.000 1.046 396 T CA 1.122 63.278 62.100 0.092 0.000 1.139 396 T CB -0.735 68.170 68.868 0.062 0.000 0.871 396 T HN 0.318 nan 8.240 nan 0.000 0.454 397 L N 0.024 121.287 121.223 0.066 0.000 2.056 397 L HA 0.075 4.415 4.340 -0.001 0.000 0.207 397 L C 2.677 179.578 176.870 0.052 0.000 1.078 397 L CA 0.962 55.831 54.840 0.048 0.000 0.749 397 L CB -0.789 41.289 42.059 0.032 0.000 0.901 397 L HN 0.240 nan 8.230 nan 0.000 0.433 398 L N 0.167 121.439 121.223 0.081 0.000 2.017 398 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 398 L C 2.274 179.181 176.870 0.062 0.000 1.073 398 L CA 1.733 56.619 54.840 0.078 0.000 0.745 398 L CB -0.406 41.738 42.059 0.141 0.000 0.894 398 L HN 0.112 nan 8.230 nan 0.000 0.432 399 L N -0.703 120.565 121.223 0.074 0.000 2.362 399 L HA -0.130 4.210 4.340 -0.001 0.000 0.219 399 L C 2.445 179.340 176.870 0.041 0.000 1.134 399 L CA 1.018 55.891 54.840 0.053 0.000 0.807 399 L CB -0.463 41.629 42.059 0.054 0.000 0.927 399 L HN 0.490 nan 8.230 nan 0.000 0.447 400 E N 0.420 120.643 120.200 0.039 0.000 2.060 400 E HA -0.127 4.223 4.350 -0.001 0.000 0.189 400 E C 2.273 178.892 176.600 0.030 0.000 0.974 400 E CA 0.847 57.264 56.400 0.029 0.000 0.808 400 E CB 0.136 29.850 29.700 0.024 0.000 0.768 400 E HN 0.398 nan 8.360 nan 0.000 0.453 401 A N 1.176 124.015 122.820 0.031 0.000 1.902 401 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 401 A C 1.337 178.941 177.584 0.033 0.000 1.181 401 A CA 1.325 53.379 52.037 0.028 0.000 0.623 401 A CB -0.086 18.925 19.000 0.019 0.000 0.818 401 A HN 0.240 nan 8.150 nan 0.000 0.443 402 N N -1.498 117.224 118.700 0.037 0.000 2.675 402 N HA 0.295 5.035 4.740 -0.001 0.000 0.254 402 N C -2.807 172.730 175.510 0.046 0.000 1.224 402 N CA -1.671 51.407 53.050 0.045 0.000 0.777 402 N CB 1.322 39.843 38.487 0.056 0.000 1.256 402 N HN -0.142 nan 8.380 nan 0.000 0.531 403 P HA 0.045 nan 4.420 nan 0.000 0.226 403 P C 0.676 178.007 177.300 0.050 0.000 1.153 403 P CA 0.747 63.873 63.100 0.042 0.000 0.777 403 P CB 0.393 32.114 31.700 0.035 0.000 0.794 404 N N -0.781 117.953 118.700 0.056 0.000 2.457 404 N HA -0.031 4.708 4.740 -0.001 0.000 0.180 404 N C 0.369 175.928 175.510 0.081 0.000 1.050 404 N CA 0.440 53.528 53.050 0.064 0.000 0.906 404 N CB -0.403 38.120 38.487 0.060 0.000 0.968 404 N HN 0.142 nan 8.380 nan 0.000 0.445 405 L N 2.192 123.464 121.223 0.082 0.000 2.559 405 L HA -0.038 4.302 4.340 -0.001 0.000 0.282 405 L C 1.480 178.407 176.870 0.094 0.000 1.232 405 L CA 0.401 55.293 54.840 0.086 0.000 0.885 405 L CB -0.273 41.809 42.059 0.038 0.000 1.131 405 L HN 0.190 nan 8.230 nan 0.000 0.498 406 T N 0.349 114.964 114.554 0.101 0.000 2.862 406 T HA 0.178 4.527 4.350 -0.001 0.000 0.276 406 T C 1.391 176.184 174.700 0.155 0.000 0.974 406 T CA -0.412 61.772 62.100 0.141 0.000 0.966 406 T CB 0.700 69.622 68.868 0.091 0.000 1.072 406 T HN 0.673 nan 8.240 nan 0.000 0.538 407 W N 0.650 122.023 121.300 0.122 0.000 2.374 407 W HA -0.058 4.602 4.660 -0.001 0.000 0.288 407 W C 1.641 178.271 176.519 0.185 0.000 1.218 407 W CA 0.606 58.028 57.345 0.128 0.000 1.245 407 W CB -0.981 28.583 29.460 0.173 0.000 1.126 407 W HN 0.642 nan 8.180 nan 0.000 0.545 408 R N 0.682 120.825 120.500 -0.595 0.000 2.115 408 R HA -0.090 4.250 4.340 -0.001 0.000 0.226 408 R C 1.930 178.286 176.300 0.093 0.000 1.100 408 R CA 1.530 57.412 56.100 -0.363 0.000 0.980 408 R CB -0.388 29.597 30.300 -0.524 0.000 0.875 408 R HN 0.082 nan 8.270 nan 0.000 0.445 409 D N 0.330 120.746 120.400 0.027 0.000 2.123 409 D HA -0.138 4.502 4.640 -0.001 0.000 0.196 409 D C 1.892 178.114 176.300 -0.130 0.000 0.992 409 D CA 1.237 55.255 54.000 0.029 0.000 0.833 409 D CB 0.029 40.877 40.800 0.079 0.000 0.954 409 D HN 0.024 nan 8.370 nan 0.000 0.455 410 V N 1.263 121.121 119.914 -0.093 0.000 2.490 410 V HA -0.250 3.870 4.120 -0.001 0.000 0.250 410 V C 2.481 178.471 176.094 -0.173 0.000 1.061 410 V CA 1.543 63.739 62.300 -0.174 0.000 1.064 410 V CB -0.450 31.241 31.823 -0.220 0.000 0.670 410 V HN 0.209 nan 8.190 nan 0.000 0.461 411 Q N -1.504 118.251 119.800 -0.075 0.000 2.083 411 Q HA -0.169 4.170 4.340 -0.001 0.000 0.198 411 Q C 2.242 178.026 176.000 -0.361 0.000 0.969 411 Q CA 1.750 57.470 55.803 -0.139 0.000 0.838 411 Q CB -0.236 28.520 28.738 0.029 0.000 0.900 411 Q HN 0.664 nan 8.270 nan 0.000 0.436 412 Y N 1.028 121.109 120.300 -0.364 0.000 2.128 412 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 412 Y C 2.136 177.671 175.900 -0.609 0.000 1.154 412 Y CA 1.294 59.117 58.100 -0.461 0.000 1.149 412 Y CB -0.242 38.091 38.460 -0.212 0.000 0.976 412 Y HN 0.068 nan 8.280 nan 0.000 0.505 413 L N -1.402 119.510 121.223 -0.518 0.000 2.083 413 L HA -0.252 4.087 4.340 -0.001 0.000 0.209 413 L C 2.417 179.122 176.870 -0.275 0.000 1.083 413 L CA 1.408 55.941 54.840 -0.511 0.000 0.752 413 L CB -0.637 41.109 42.059 -0.522 0.000 0.899 413 L HN 0.110 nan 8.230 nan 0.000 0.433 414 S N 0.085 115.664 115.700 -0.203 0.000 2.368 414 S HA -0.134 4.335 4.470 -0.001 0.000 0.225 414 S C 1.943 176.449 174.600 -0.156 0.000 1.030 414 S CA 1.243 59.398 58.200 -0.075 0.000 0.999 414 S CB -0.242 62.979 63.200 0.035 0.000 0.844 414 S HN 0.272 nan 8.310 nan 0.000 0.459 415 I N 1.376 121.722 120.570 -0.374 0.000 2.113 415 I HA -0.194 3.975 4.170 -0.001 0.000 0.238 415 I C 2.064 177.932 176.117 -0.414 0.000 1.070 415 I CA 1.278 62.223 61.300 -0.591 0.000 1.332 415 I CB -0.440 36.828 38.000 -1.220 0.000 1.044 415 I HN 0.218 nan 8.210 nan 0.000 0.402 416 L N 0.352 121.365 121.223 -0.351 0.000 2.141 416 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 416 L C 2.551 179.368 176.870 -0.089 0.000 1.094 416 L CA 1.526 56.258 54.840 -0.180 0.000 0.763 416 L CB -0.592 41.407 42.059 -0.100 0.000 0.908 416 L HN 0.368 nan 8.230 nan 0.000 0.437 417 S N -0.593 115.052 115.700 -0.093 0.000 2.524 417 S HA 0.244 4.714 4.470 -0.001 0.000 0.216 417 S C 1.132 175.732 174.600 -0.001 0.000 0.987 417 S CA -0.018 58.160 58.200 -0.037 0.000 0.909 417 S CB -0.181 62.992 63.200 -0.044 0.000 0.781 417 S HN 0.206 nan 8.310 nan 0.000 0.521 418 A N 1.709 124.534 122.820 0.008 0.000 2.561 418 A HA 0.446 4.766 4.320 -0.001 0.000 0.234 418 A C 0.132 177.753 177.584 0.061 0.000 1.055 418 A CA -0.144 51.932 52.037 0.065 0.000 0.756 418 A CB 0.023 19.108 19.000 0.142 0.000 0.986 418 A HN 0.416 nan 8.150 nan 0.000 0.505 419 V N 3.259 123.207 119.914 0.056 0.000 2.348 419 V HA 0.433 4.552 4.120 -0.001 0.000 0.270 419 V C 1.279 177.371 176.094 -0.003 0.000 1.037 419 V CA -0.008 62.305 62.300 0.023 0.000 0.872 419 V CB 0.616 32.453 31.823 0.024 0.000 1.002 419 V HN 1.181 nan 8.190 nan 0.000 0.464 420 G N 4.370 113.130 108.800 -0.067 0.000 2.484 420 G HA2 0.289 4.248 3.960 -0.001 0.000 0.235 420 G HA3 0.289 4.248 3.960 -0.001 0.000 0.235 420 G C 0.028 174.730 174.900 -0.330 0.000 1.282 420 G CA -0.235 44.721 45.100 -0.240 0.000 0.857 420 G HN 0.725 nan 8.290 nan 0.000 0.571 421 L N 1.416 122.325 121.223 -0.523 0.000 3.168 421 L HA 0.227 4.567 4.340 -0.001 0.000 0.277 421 L C 1.621 178.129 176.870 -0.603 0.000 1.308 421 L CA -0.097 54.503 54.840 -0.400 0.000 0.976 421 L CB 0.503 42.365 42.059 -0.328 0.000 1.383 421 L HN 0.708 nan 8.230 nan 0.000 0.572 422 E N 0.357 119.945 120.200 -1.019 0.000 2.160 422 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 422 E C 1.465 177.837 176.600 -0.379 0.000 0.991 422 E CA 0.859 56.630 56.400 -1.050 0.000 0.810 422 E CB 0.296 29.533 29.700 -0.771 0.000 0.742 422 E HN 0.327 nan 8.360 nan 0.000 0.466 423 K N 0.705 120.947 120.400 -0.262 0.000 2.211 423 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 423 K C 0.324 176.895 176.600 -0.049 0.000 1.047 423 K CA 0.581 56.793 56.287 -0.124 0.000 0.935 423 K CB -0.362 32.075 32.500 -0.105 0.000 0.728 423 K HN 0.041 nan 8.250 nan 0.000 0.452 424 N N 0.990 119.670 118.700 -0.032 0.000 2.663 424 N HA 0.100 4.840 4.740 -0.001 0.000 0.250 424 N C 0.449 176.094 175.510 0.226 0.000 1.129 424 N CA 0.028 53.121 53.050 0.072 0.000 0.995 424 N CB 0.978 39.447 38.487 -0.031 0.000 1.324 424 N HN 0.038 nan 8.380 nan 0.000 0.512 425 A N 1.510 124.420 122.820 0.151 0.000 2.131 425 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 425 A C 1.595 179.272 177.584 0.154 0.000 1.158 425 A CA 1.262 53.400 52.037 0.168 0.000 0.665 425 A CB -0.203 18.849 19.000 0.086 0.000 0.795 425 A HN 0.632 nan 8.150 nan 0.000 0.460 426 D N -0.609 119.877 120.400 0.143 0.000 2.378 426 D HA 0.031 4.671 4.640 -0.001 0.000 0.227 426 D C 1.383 177.690 176.300 0.011 0.000 1.012 426 D CA 0.939 54.977 54.000 0.064 0.000 0.905 426 D CB -0.794 40.041 40.800 0.058 0.000 0.895 426 D HN 0.272 nan 8.370 nan 0.000 0.532 427 G N 0.032 108.909 108.800 0.129 0.000 2.813 427 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.209 427 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.209 427 G C 0.082 174.689 174.900 -0.488 0.000 1.150 427 G CA -0.039 44.948 45.100 -0.189 0.000 0.785 427 G HN 0.107 nan 8.290 nan 0.000 0.535 428 D N -0.330 119.953 120.400 -0.195 0.000 2.735 428 D HA -0.125 4.515 4.640 -0.001 0.000 0.235 428 D C -0.259 175.937 176.300 -0.172 0.000 1.175 428 D CA 0.665 54.579 54.000 -0.144 0.000 0.683 428 D CB -1.325 39.357 40.800 -0.196 0.000 1.008 428 D HN 0.500 nan 8.370 nan 0.000 0.416 429 W N 0.603 121.881 121.300 -0.037 0.000 2.181 429 W HA 0.229 4.889 4.660 -0.000 0.000 0.335 429 W C 1.577 178.090 176.519 -0.011 0.000 1.310 429 W CA -0.029 57.296 57.345 -0.034 0.000 1.226 429 W CB 0.578 30.022 29.460 -0.026 0.000 1.155 429 W HN -0.100 nan 8.180 nan 0.000 0.565 430 R N 1.762 122.405 120.500 0.238 0.000 2.795 430 R HA 0.255 4.595 4.340 -0.001 0.000 0.275 430 R C -0.673 175.755 176.300 0.214 0.000 0.981 430 R CA -1.222 54.981 56.100 0.173 0.000 0.917 430 R CB 1.749 32.121 30.300 0.119 0.000 1.202 430 R HN 0.338 nan 8.270 nan 0.000 0.469 431 D N 0.782 121.279 120.400 0.163 0.000 2.361 431 D HA 0.160 4.800 4.640 -0.001 0.000 0.239 431 D C 0.301 176.712 176.300 0.185 0.000 1.200 431 D CA 0.436 54.535 54.000 0.165 0.000 0.915 431 D CB 1.228 42.097 40.800 0.115 0.000 1.170 431 D HN 0.554 nan 8.370 nan 0.000 0.444 432 S N -1.594 114.228 115.700 0.204 0.000 2.903 432 S HA 0.625 5.094 4.470 -0.001 0.000 0.314 432 S C -0.040 174.677 174.600 0.195 0.000 1.177 432 S CA -0.377 57.955 58.200 0.221 0.000 0.859 432 S CB 1.327 64.732 63.200 0.343 0.000 1.265 432 S HN 0.359 nan 8.310 nan 0.000 0.584 433 A N -0.171 122.775 122.820 0.210 0.000 2.348 433 A HA 0.392 4.712 4.320 -0.001 0.000 0.224 433 A C 0.994 178.680 177.584 0.170 0.000 1.227 433 A CA -0.172 51.971 52.037 0.178 0.000 0.885 433 A CB -0.493 18.620 19.000 0.188 0.000 0.933 433 A HN 0.595 nan 8.150 nan 0.000 0.506 434 M N -0.647 119.060 119.600 0.177 0.000 2.493 434 M HA 0.208 4.687 4.480 -0.001 0.000 0.244 434 M C 1.316 177.668 176.300 0.087 0.000 1.182 434 M CA 0.317 55.673 55.300 0.093 0.000 0.981 434 M CB -0.847 31.712 32.600 -0.069 0.000 1.551 434 M HN 0.713 nan 8.290 nan 0.000 0.476 435 G N 2.313 111.180 108.800 0.111 0.000 2.155 435 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.257 435 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.257 435 G C 0.118 175.074 174.900 0.093 0.000 0.983 435 G CA 0.974 46.127 45.100 0.089 0.000 0.676 435 G HN 0.564 nan 8.290 nan 0.000 0.528 436 K N -1.563 118.924 120.400 0.145 0.000 2.579 436 K HA 0.684 5.004 4.320 -0.001 0.000 0.284 436 K C -0.520 176.235 176.600 0.258 0.000 0.990 436 K CA -1.369 55.013 56.287 0.158 0.000 0.880 436 K CB 1.253 33.852 32.500 0.165 0.000 1.488 436 K HN 0.070 nan 8.250 nan 0.000 0.425 437 K N 0.627 121.165 120.400 0.229 0.000 2.126 437 K HA 0.208 4.528 4.320 -0.001 0.000 0.257 437 K C -1.158 175.788 176.600 0.577 0.000 1.007 437 K CA -0.673 55.824 56.287 0.350 0.000 0.928 437 K CB 0.509 33.180 32.500 0.286 0.000 1.013 437 K HN 0.514 nan 8.250 nan 0.000 0.473 438 Y N 0.077 120.562 120.300 0.308 0.000 2.429 438 Y HA 0.302 4.852 4.550 -0.001 0.000 0.342 438 Y C -0.688 175.111 175.900 -0.169 0.000 1.004 438 Y CA -0.596 57.464 58.100 -0.065 0.000 1.075 438 Y CB 2.017 40.219 38.460 -0.431 0.000 1.214 438 Y HN 0.564 nan 8.280 nan 0.000 0.455 439 S N 4.005 118.802 115.700 -1.505 0.000 2.521 439 S HA 0.334 4.804 4.470 -0.001 0.000 0.295 439 S C 0.047 173.855 174.600 -1.320 0.000 1.098 439 S CA -0.571 56.781 58.200 -1.413 0.000 0.999 439 S CB 0.612 62.618 63.200 -1.990 0.000 1.034 439 S HN 0.954 nan 8.310 nan 0.000 0.483 440 H N 2.595 121.142 119.070 -0.871 0.000 2.546 440 H HA 0.026 4.582 4.556 -0.001 0.000 0.277 440 H C 1.952 176.988 175.328 -0.487 0.000 1.004 440 H CA 0.747 56.483 56.048 -0.520 0.000 1.231 440 H CB 0.463 30.064 29.762 -0.267 0.000 1.382 440 H HN 0.502 nan 8.280 nan 0.000 0.580 441 R N 0.252 120.426 120.500 -0.542 0.000 2.087 441 R HA -0.037 4.303 4.340 -0.001 0.000 0.216 441 R C 0.813 176.691 176.300 -0.705 0.000 1.114 441 R CA 0.965 56.653 56.100 -0.686 0.000 1.002 441 R CB 0.097 29.810 30.300 -0.977 0.000 0.903 441 R HN 0.168 nan 8.270 nan 0.000 0.445 442 Y N -0.137 119.860 120.300 -0.506 0.000 2.467 442 Y HA 0.397 4.946 4.550 -0.001 0.000 0.250 442 Y C 1.155 176.900 175.900 -0.259 0.000 1.155 442 Y CA 0.040 57.964 58.100 -0.294 0.000 1.249 442 Y CB 0.894 39.265 38.460 -0.149 0.000 1.146 442 Y HN 0.390 nan 8.280 nan 0.000 0.524 443 G N 0.923 109.498 108.800 -0.375 0.000 2.547 443 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.271 443 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.271 443 G C 0.368 175.130 174.900 -0.231 0.000 1.209 443 G CA 0.449 45.388 45.100 -0.269 0.000 0.959 443 G HN 0.260 nan 8.290 nan 0.000 0.563 444 F N 3.000 123.113 119.950 0.272 0.000 2.797 444 F HA 0.467 4.993 4.527 -0.001 0.000 0.302 444 F C 1.786 177.783 175.800 0.328 0.000 1.130 444 F CA 1.687 59.900 58.000 0.355 0.000 1.387 444 F CB 0.437 39.567 39.000 0.215 0.000 1.107 444 F HN 1.311 nan 8.300 nan 0.000 0.577 445 G N 0.328 109.388 108.800 0.433 0.000 2.359 445 G HA2 0.063 4.023 3.960 -0.001 0.000 0.303 445 G HA3 0.063 4.023 3.960 -0.001 0.000 0.303 445 G C -1.355 173.661 174.900 0.195 0.000 1.293 445 G CA -1.139 44.155 45.100 0.322 0.000 0.964 445 G HN 0.150 nan 8.290 nan 0.000 0.531 446 K N -0.506 119.958 120.400 0.106 0.000 2.118 446 K HA 0.723 5.042 4.320 -0.001 0.000 0.264 446 K C 0.158 176.781 176.600 0.038 0.000 1.000 446 K CA -0.807 55.500 56.287 0.033 0.000 0.929 446 K CB 1.602 34.076 32.500 -0.043 0.000 1.021 446 K HN 0.436 nan 8.250 nan 0.000 0.463 447 I N 1.810 122.386 120.570 0.010 0.000 2.496 447 I HA -0.015 4.155 4.170 -0.001 0.000 0.285 447 I C -0.089 176.055 176.117 0.045 0.000 1.080 447 I CA 0.127 61.438 61.300 0.019 0.000 1.404 447 I CB 0.582 38.568 38.000 -0.024 0.000 1.403 447 I HN 0.711 nan 8.210 nan 0.000 0.539 448 D N 5.905 126.329 120.400 0.040 0.000 2.469 448 D HA 0.347 4.987 4.640 -0.001 0.000 0.251 448 D C 0.582 176.901 176.300 0.031 0.000 1.173 448 D CA -0.383 53.649 54.000 0.054 0.000 0.882 448 D CB 1.927 42.766 40.800 0.064 0.000 1.129 448 D HN 0.611 nan 8.370 nan 0.000 0.549 449 A N 4.197 127.023 122.820 0.009 0.000 1.873 449 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 449 A C 2.010 179.594 177.584 -0.001 0.000 1.193 449 A CA 1.484 53.508 52.037 -0.021 0.000 0.629 449 A CB -0.820 18.136 19.000 -0.074 0.000 0.826 449 A HN 0.835 nan 8.150 nan 0.000 0.447 450 H N 0.053 119.090 119.070 -0.055 0.000 2.319 450 H HA -0.090 4.466 4.556 -0.001 0.000 0.299 450 H C 1.935 177.257 175.328 -0.010 0.000 1.092 450 H CA 2.067 58.094 56.048 -0.035 0.000 1.302 450 H CB -0.068 29.674 29.762 -0.034 0.000 1.373 450 H HN 0.503 nan 8.280 nan 0.000 0.497 451 K N 0.006 120.447 120.400 0.068 0.000 2.097 451 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 451 K C 2.327 178.905 176.600 -0.037 0.000 1.050 451 K CA 0.920 57.222 56.287 0.026 0.000 0.938 451 K CB -0.082 32.454 32.500 0.060 0.000 0.718 451 K HN 0.113 nan 8.250 nan 0.000 0.442 452 L N 1.348 122.552 121.223 -0.032 0.000 1.994 452 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 452 L C 1.939 178.772 176.870 -0.061 0.000 1.071 452 L CA 1.603 56.420 54.840 -0.039 0.000 0.745 452 L CB -0.353 41.704 42.059 -0.003 0.000 0.892 452 L HN 0.006 nan 8.230 nan 0.000 0.431 453 I N -0.158 120.365 120.570 -0.078 0.000 2.286 453 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 453 I C 2.489 178.543 176.117 -0.104 0.000 1.115 453 I CA 1.018 62.269 61.300 -0.082 0.000 1.392 453 I CB -0.754 37.191 38.000 -0.092 0.000 1.065 453 I HN 0.307 nan 8.210 nan 0.000 0.418 454 E N 0.518 120.610 120.200 -0.180 0.000 2.021 454 E HA -0.256 4.094 4.350 -0.001 0.000 0.200 454 E C 2.241 178.819 176.600 -0.036 0.000 1.015 454 E CA 2.036 58.347 56.400 -0.149 0.000 0.824 454 E CB -0.525 29.062 29.700 -0.188 0.000 0.762 454 E HN 0.618 nan 8.360 nan 0.000 0.454 455 M N 0.047 119.640 119.600 -0.012 0.000 2.630 455 M HA 0.009 4.489 4.480 -0.001 0.000 0.254 455 M C 1.765 178.126 176.300 0.101 0.000 1.092 455 M CA 1.601 56.935 55.300 0.057 0.000 1.087 455 M CB -0.085 32.554 32.600 0.065 0.000 1.453 455 M HN -0.055 nan 8.290 nan 0.000 0.509 456 S N 0.308 116.029 115.700 0.035 0.000 2.496 456 S HA 0.055 4.525 4.470 -0.001 0.000 0.224 456 S C 1.678 176.348 174.600 0.116 0.000 0.996 456 S CA 0.208 58.446 58.200 0.064 0.000 0.927 456 S CB -0.258 62.936 63.200 -0.011 0.000 0.774 456 S HN 0.637 nan 8.310 nan 0.000 0.524 457 K N 1.336 121.780 120.400 0.073 0.000 2.057 457 K HA -0.053 4.267 4.320 -0.001 0.000 0.207 457 K C 1.767 178.415 176.600 0.080 0.000 1.049 457 K CA 1.714 58.038 56.287 0.062 0.000 0.931 457 K CB -0.387 32.133 32.500 0.033 0.000 0.714 457 K HN 0.698 nan 8.250 nan 0.000 0.440 458 T N -2.712 111.903 114.554 0.102 0.000 3.174 458 T HA 0.046 4.395 4.350 -0.001 0.000 0.269 458 T C -0.100 174.666 174.700 0.110 0.000 1.017 458 T CA -0.765 61.383 62.100 0.080 0.000 0.899 458 T CB -0.138 68.762 68.868 0.055 0.000 1.077 458 T HN 0.228 nan 8.240 nan 0.000 0.552 459 W N 2.638 123.924 121.300 -0.023 0.000 2.238 459 W HA 0.416 5.075 4.660 -0.001 0.000 0.321 459 W C -0.637 175.856 176.519 -0.043 0.000 1.293 459 W CA -0.378 56.947 57.345 -0.033 0.000 1.204 459 W CB 0.593 30.034 29.460 -0.031 0.000 1.167 459 W HN 0.322 nan 8.180 nan 0.000 0.553 460 E N 4.887 124.595 120.200 -0.820 0.000 2.133 460 E HA 0.107 4.457 4.350 -0.001 0.000 0.274 460 E C -0.319 175.786 176.600 -0.826 0.000 0.930 460 E CA -0.695 55.340 56.400 -0.609 0.000 0.770 460 E CB 0.536 29.951 29.700 -0.475 0.000 1.104 460 E HN 0.334 nan 8.360 nan 0.000 0.403 461 N N 2.360 120.886 118.700 -0.291 0.000 2.356 461 N HA -0.035 4.704 4.740 -0.001 0.000 0.252 461 N C -0.117 175.268 175.510 -0.208 0.000 1.241 461 N CA 0.107 53.110 53.050 -0.079 0.000 0.861 461 N CB 0.734 39.227 38.487 0.010 0.000 1.075 461 N HN 0.372 nan 8.380 nan 0.000 0.461 462 V N 0.422 120.238 119.914 -0.165 0.000 3.264 462 V HA 0.307 4.427 4.120 -0.001 0.000 0.304 462 V C 0.819 176.822 176.094 -0.151 0.000 1.086 462 V CA -0.908 61.242 62.300 -0.250 0.000 1.090 462 V CB 0.592 32.188 31.823 -0.378 0.000 1.112 462 V HN 0.464 nan 8.190 nan 0.000 0.472 463 N N 0.664 119.278 118.700 -0.143 0.000 2.326 463 N HA 0.401 5.140 4.740 -0.001 0.000 0.239 463 N C 0.246 175.714 175.510 -0.070 0.000 1.301 463 N CA 0.452 53.442 53.050 -0.100 0.000 0.909 463 N CB 0.468 38.890 38.487 -0.108 0.000 1.156 463 N HN 1.189 nan 8.380 nan 0.000 0.462 464 A N 0.159 122.952 122.820 -0.045 0.000 2.483 464 A HA -0.004 4.315 4.320 -0.001 0.000 0.238 464 A C 0.644 178.224 177.584 -0.006 0.000 1.070 464 A CA -0.093 51.942 52.037 -0.003 0.000 0.770 464 A CB -0.066 18.937 19.000 0.005 0.000 1.008 464 A HN 0.642 nan 8.150 nan 0.000 0.497 465 Q N 0.251 120.097 119.800 0.075 0.000 2.421 465 Q HA 0.380 4.720 4.340 -0.001 0.000 0.255 465 Q C -0.002 176.035 176.000 0.062 0.000 1.013 465 Q CA 0.653 56.537 55.803 0.134 0.000 0.895 465 Q CB 0.529 29.477 28.738 0.349 0.000 1.271 465 Q HN 0.846 nan 8.270 nan 0.000 0.460 466 T N 1.879 116.453 114.554 0.033 0.000 2.731 466 T HA 0.729 5.079 4.350 -0.001 0.000 0.300 466 T C -2.138 172.613 174.700 0.086 0.000 1.283 466 T CA -0.515 61.428 62.100 -0.262 0.000 1.005 466 T CB 0.630 69.323 68.868 -0.290 0.000 1.420 466 T HN 0.746 nan 8.240 nan 0.000 0.503 467 W N 0.452 121.804 121.300 0.087 0.000 3.025 467 W HA 0.806 5.466 4.660 -0.001 0.000 0.343 467 W C -2.297 174.180 176.519 -0.070 0.000 1.246 467 W CA -1.428 55.907 57.345 -0.017 0.000 1.178 467 W CB 0.630 29.795 29.460 -0.491 0.000 1.463 467 W HN 0.565 nan 8.180 nan 0.000 0.578 468 F N 2.936 122.793 119.950 -0.155 0.000 2.659 468 F HA 0.532 5.059 4.527 -0.000 0.000 0.342 468 F C -1.638 174.072 175.800 -0.150 0.000 1.168 468 F CA -1.781 56.046 58.000 -0.289 0.000 1.003 468 F CB 0.810 39.469 39.000 -0.568 0.000 1.267 468 F HN 0.439 nan 8.300 nan 0.000 0.463 469 Y N 6.885 126.845 120.300 -0.567 0.000 2.367 469 Y HA 0.434 4.983 4.550 -0.001 0.000 0.342 469 Y C -0.058 175.359 175.900 -0.805 0.000 0.979 469 Y CA -1.276 56.477 58.100 -0.579 0.000 1.161 469 Y CB 1.128 39.392 38.460 -0.328 0.000 1.155 469 Y HN 0.362 nan 8.280 nan 0.000 0.503 470 L N 6.385 127.246 121.223 -0.604 0.000 2.466 470 L HA 0.278 4.618 4.340 -0.001 0.000 0.257 470 L C -1.839 174.775 176.870 -0.427 0.000 1.189 470 L CA -1.641 52.843 54.840 -0.592 0.000 0.813 470 L CB -0.041 41.693 42.059 -0.540 0.000 1.118 470 L HN 0.441 nan 8.230 nan 0.000 0.471 471 P HA 0.075 nan 4.420 nan 0.000 0.274 471 P C -0.818 176.246 177.300 -0.394 0.000 1.246 471 P CA -0.441 62.480 63.100 -0.297 0.000 0.795 471 P CB 0.339 31.907 31.700 -0.221 0.000 1.006 472 T N 1.700 116.037 114.554 -0.362 0.000 2.884 472 T HA 0.244 4.593 4.350 -0.001 0.000 0.298 472 T C 0.069 174.370 174.700 -0.666 0.000 0.998 472 T CA 0.137 61.921 62.100 -0.526 0.000 1.124 472 T CB -0.079 68.498 68.868 -0.485 0.000 0.931 472 T HN 0.229 nan 8.240 nan 0.000 0.531 473 L N 5.196 125.951 121.223 -0.780 0.000 2.295 473 L HA 0.422 4.761 4.340 -0.001 0.000 0.281 473 L C -1.408 175.135 176.870 -0.545 0.000 1.018 473 L CA -0.651 53.826 54.840 -0.605 0.000 0.841 473 L CB 0.210 41.899 42.059 -0.617 0.000 1.218 473 L HN 0.578 nan 8.230 nan 0.000 0.424 474 Y N 4.687 124.941 120.300 -0.077 0.000 2.477 474 Y HA 0.276 4.826 4.550 -0.000 0.000 0.349 474 Y C 1.187 177.045 175.900 -0.070 0.000 0.977 474 Y CA -0.249 57.820 58.100 -0.052 0.000 1.214 474 Y CB 0.936 39.379 38.460 -0.029 0.000 1.124 474 Y HN 0.537 nan 8.280 nan 0.000 0.521 475 V N -1.221 118.650 119.914 -0.072 0.000 3.125 475 V HA 0.019 4.139 4.120 -0.001 0.000 0.249 475 V C 0.718 176.768 176.094 -0.073 0.000 1.113 475 V CA 0.183 62.406 62.300 -0.128 0.000 1.106 475 V CB -0.332 31.276 31.823 -0.359 0.000 0.768 475 V HN 0.794 nan 8.190 nan 0.000 0.468 476 S N 1.210 116.886 115.700 -0.040 0.000 3.356 476 S HA -0.217 4.253 4.470 -0.001 0.000 0.376 476 S C -0.063 174.554 174.600 0.029 0.000 0.924 476 S CA 1.081 59.316 58.200 0.058 0.000 1.316 476 S CB -1.722 61.540 63.200 0.103 0.000 0.922 476 S HN 0.941 nan 8.310 nan 0.000 0.553 477 Q N 0.095 119.902 119.800 0.012 0.000 2.413 477 Q HA 0.806 5.145 4.340 -0.001 0.000 0.276 477 Q C -0.377 175.666 176.000 0.072 0.000 1.099 477 Q CA -0.632 55.202 55.803 0.051 0.000 0.814 477 Q CB 2.429 31.207 28.738 0.067 0.000 1.379 477 Q HN 0.374 nan 8.270 nan 0.000 0.436 478 S N 0.152 115.889 115.700 0.062 0.000 2.588 478 S HA 0.805 5.275 4.470 -0.001 0.000 0.275 478 S C -1.484 173.146 174.600 0.051 0.000 1.130 478 S CA -0.301 57.931 58.200 0.054 0.000 0.855 478 S CB 2.161 65.389 63.200 0.046 0.000 1.116 478 S HN 0.591 nan 8.310 nan 0.000 0.472 479 T N 1.392 115.974 114.554 0.047 0.000 2.827 479 T HA 0.453 4.802 4.350 -0.001 0.000 0.328 479 T C -1.624 173.102 174.700 0.043 0.000 1.598 479 T CA -0.505 61.620 62.100 0.040 0.000 1.043 479 T CB 0.993 69.882 68.868 0.035 0.000 1.447 479 T HN 0.791 nan 8.240 nan 0.000 0.491 480 N N 1.012 119.734 118.700 0.038 0.000 2.307 480 N HA 0.197 4.937 4.740 -0.001 0.000 0.248 480 N C -0.705 174.820 175.510 0.027 0.000 1.322 480 N CA -0.426 52.651 53.050 0.045 0.000 0.861 480 N CB 0.920 39.439 38.487 0.052 0.000 1.303 480 N HN 0.381 nan 8.380 nan 0.000 0.498 481 S N 0.074 115.784 115.700 0.016 0.000 2.482 481 S HA 0.363 4.832 4.470 -0.001 0.000 0.303 481 S C 1.060 175.656 174.600 -0.006 0.000 1.091 481 S CA -0.199 58.002 58.200 0.002 0.000 1.057 481 S CB 1.159 64.362 63.200 0.004 0.000 1.031 481 S HN 0.260 nan 8.310 nan 0.000 0.485 482 T N 1.265 115.807 114.554 -0.020 0.000 3.163 482 T HA 0.142 4.492 4.350 -0.001 0.000 0.260 482 T C 0.712 175.399 174.700 -0.021 0.000 1.156 482 T CA 0.481 62.566 62.100 -0.026 0.000 1.072 482 T CB -0.136 68.709 68.868 -0.039 0.000 0.937 482 T HN 0.592 nan 8.240 nan 0.000 0.528 483 E N 0.868 121.059 120.200 -0.015 0.000 2.472 483 E HA 0.203 4.552 4.350 -0.001 0.000 0.196 483 E C 0.346 176.942 176.600 -0.008 0.000 1.033 483 E CA 0.112 56.505 56.400 -0.012 0.000 0.886 483 E CB 0.380 30.074 29.700 -0.009 0.000 0.944 483 E HN 0.701 nan 8.360 nan 0.000 0.492 484 E N 1.234 121.432 120.200 -0.004 0.000 2.109 484 E HA 0.190 4.540 4.350 -0.001 0.000 0.278 484 E C -0.893 175.707 176.600 -0.000 0.000 0.954 484 E CA -0.107 56.295 56.400 0.003 0.000 0.779 484 E CB 0.881 30.588 29.700 0.011 0.000 1.093 484 E HN -0.212 nan 8.360 nan 0.000 0.401 485 T N 5.005 119.558 114.554 -0.002 0.000 2.767 485 T HA 0.308 4.658 4.350 -0.001 0.000 0.288 485 T C 0.042 174.748 174.700 0.010 0.000 0.963 485 T CA -0.487 61.607 62.100 -0.010 0.000 1.019 485 T CB 0.358 69.213 68.868 -0.021 0.000 0.923 485 T HN 0.369 nan 8.240 nan 0.000 0.468 486 L N 5.168 126.403 121.223 0.020 0.000 2.282 486 L HA 0.409 4.749 4.340 -0.001 0.000 0.287 486 L C 0.753 177.680 176.870 0.095 0.000 1.075 486 L CA -0.487 54.409 54.840 0.094 0.000 0.839 486 L CB 0.076 42.240 42.059 0.175 0.000 1.219 486 L HN 0.719 nan 8.230 nan 0.000 0.434 487 E N 2.258 122.502 120.200 0.073 0.000 2.281 487 E HA 0.716 5.066 4.350 -0.001 0.000 0.262 487 E C -1.045 175.584 176.600 0.050 0.000 0.933 487 E CA -0.908 55.510 56.400 0.030 0.000 0.809 487 E CB 2.419 32.114 29.700 -0.009 0.000 1.242 487 E HN 0.257 nan 8.360 nan 0.000 0.418 488 S N 0.890 116.586 115.700 -0.006 0.000 2.572 488 S HA 0.473 4.943 4.470 -0.001 0.000 0.274 488 S C -1.519 173.160 174.600 0.132 0.000 1.150 488 S CA -0.617 57.633 58.200 0.082 0.000 0.944 488 S CB 1.459 64.752 63.200 0.156 0.000 1.071 488 S HN 0.423 nan 8.310 nan 0.000 0.479 489 V N 5.749 125.790 119.914 0.211 0.000 2.735 489 V HA 0.713 4.832 4.120 -0.001 0.000 0.310 489 V C -0.202 176.055 176.094 0.271 0.000 1.061 489 V CA -0.766 61.674 62.300 0.233 0.000 0.913 489 V CB 1.533 33.436 31.823 0.132 0.000 1.005 489 V HN 0.913 nan 8.190 nan 0.000 0.428 490 I N -0.011 120.744 120.570 0.309 0.000 3.042 490 I HA 0.845 5.015 4.170 -0.001 0.000 0.310 490 I C -0.627 175.620 176.117 0.218 0.000 1.117 490 I CA -0.547 60.888 61.300 0.225 0.000 1.003 490 I CB 2.803 40.909 38.000 0.177 0.000 1.228 490 I HN 0.458 nan 8.210 nan 0.000 0.443 491 T N 4.300 118.949 114.554 0.159 0.000 2.809 491 T HA 0.576 4.926 4.350 -0.001 0.000 0.284 491 T C -0.332 174.458 174.700 0.150 0.000 0.992 491 T CA -0.215 61.978 62.100 0.155 0.000 0.957 491 T CB 1.000 69.928 68.868 0.099 0.000 0.942 491 T HN 0.361 nan 8.240 nan 0.000 0.439 492 I N 3.629 124.319 120.570 0.200 0.000 2.315 492 I HA 0.305 4.475 4.170 -0.001 0.000 0.291 492 I C 0.985 177.157 176.117 0.091 0.000 1.006 492 I CA -0.566 60.829 61.300 0.158 0.000 1.265 492 I CB 1.297 39.419 38.000 0.203 0.000 1.387 492 I HN 0.630 nan 8.210 nan 0.000 0.475 493 S N 3.820 119.544 115.700 0.041 0.000 2.632 493 S HA 0.185 4.655 4.470 -0.001 0.000 0.271 493 S C 0.897 175.477 174.600 -0.032 0.000 1.260 493 S CA -0.568 57.639 58.200 0.012 0.000 1.010 493 S CB 1.834 65.040 63.200 0.010 0.000 0.965 493 S HN 0.764 nan 8.310 nan 0.000 0.534 494 E N 0.847 121.035 120.200 -0.019 0.000 2.106 494 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 494 E C 1.780 178.345 176.600 -0.057 0.000 0.984 494 E CA 1.227 57.608 56.400 -0.031 0.000 0.806 494 E CB -0.149 29.546 29.700 -0.008 0.000 0.750 494 E HN 0.710 nan 8.360 nan 0.000 0.458 495 K N 0.922 121.295 120.400 -0.045 0.000 2.057 495 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 495 K C 2.128 178.681 176.600 -0.078 0.000 1.049 495 K CA 2.153 58.412 56.287 -0.047 0.000 0.931 495 K CB -0.560 31.925 32.500 -0.025 0.000 0.714 495 K HN 0.181 nan 8.250 nan 0.000 0.440 496 S N 0.336 115.977 115.700 -0.099 0.000 2.368 496 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 496 S C 2.087 176.473 174.600 -0.357 0.000 1.030 496 S CA 1.332 59.445 58.200 -0.146 0.000 0.999 496 S CB -0.691 62.465 63.200 -0.074 0.000 0.844 496 S HN 0.343 nan 8.310 nan 0.000 0.459 497 L N 1.002 121.956 121.223 -0.449 0.000 2.056 497 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 497 L C 3.146 179.897 176.870 -0.198 0.000 1.078 497 L CA 1.424 55.962 54.840 -0.503 0.000 0.749 497 L CB -0.654 41.195 42.059 -0.349 0.000 0.901 497 L HN 0.399 nan 8.230 nan 0.000 0.433 498 Q N 0.013 119.739 119.800 -0.124 0.000 2.050 498 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 498 Q C 1.715 177.675 176.000 -0.067 0.000 0.980 498 Q CA 1.831 57.593 55.803 -0.068 0.000 0.840 498 Q CB -0.159 28.548 28.738 -0.051 0.000 0.898 498 Q HN 0.431 nan 8.270 nan 0.000 0.424 499 D N 0.083 120.438 120.400 -0.074 0.000 2.263 499 D HA -0.080 4.559 4.640 -0.001 0.000 0.208 499 D C 1.059 177.330 176.300 -0.048 0.000 0.971 499 D CA 1.017 54.986 54.000 -0.051 0.000 0.867 499 D CB 0.005 40.784 40.800 -0.035 0.000 0.929 499 D HN 0.277 nan 8.370 nan 0.000 0.492 500 A N 0.255 123.032 122.820 -0.072 0.000 2.275 500 A HA 0.089 4.409 4.320 -0.001 0.000 0.212 500 A C 0.969 178.534 177.584 -0.030 0.000 1.201 500 A CA 0.227 52.242 52.037 -0.036 0.000 0.843 500 A CB -0.363 18.609 19.000 -0.047 0.000 0.873 500 A HN 0.163 nan 8.150 nan 0.000 0.492 501 N N -2.182 116.493 118.700 -0.043 0.000 2.714 501 N HA -0.234 4.506 4.740 -0.001 0.000 0.250 501 N C -0.571 174.915 175.510 -0.041 0.000 1.117 501 N CA 0.771 53.788 53.050 -0.055 0.000 0.719 501 N CB -2.275 36.161 38.487 -0.085 0.000 1.081 501 N HN 0.479 nan 8.380 nan 0.000 0.557 502 F N 0.832 120.689 119.950 -0.156 0.000 2.371 502 F HA 0.350 4.877 4.527 -0.001 0.000 0.363 502 F C 1.335 177.070 175.800 -0.108 0.000 1.122 502 F CA -0.570 57.346 58.000 -0.140 0.000 1.129 502 F CB 0.806 39.691 39.000 -0.192 0.000 1.173 502 F HN 0.068 nan 8.300 nan 0.000 0.489 503 K N 5.559 125.758 120.400 -0.336 0.000 2.029 503 K HA 0.113 4.433 4.320 -0.001 0.000 0.205 503 K C -0.102 176.415 176.600 -0.139 0.000 1.042 503 K CA 0.659 56.838 56.287 -0.180 0.000 0.949 503 K CB 0.337 32.732 32.500 -0.174 0.000 0.740 503 K HN 0.760 nan 8.250 nan 0.000 0.442 504 R N -0.171 120.126 120.500 -0.339 0.000 2.680 504 R HA 0.369 4.708 4.340 -0.001 0.000 0.269 504 R C -0.894 175.288 176.300 -0.196 0.000 1.026 504 R CA -0.824 55.217 56.100 -0.097 0.000 0.889 504 R CB 0.731 31.035 30.300 0.007 0.000 1.241 504 R HN -0.064 nan 8.270 nan 0.000 0.463 505 I N 1.701 122.363 120.570 0.153 0.000 2.696 505 I HA 0.060 4.230 4.170 -0.001 0.000 0.284 505 I C 0.715 176.643 176.117 -0.316 0.000 1.129 505 I CA 0.319 61.717 61.300 0.164 0.000 1.410 505 I CB 1.102 39.286 38.000 0.308 0.000 1.399 505 I HN 0.798 nan 8.210 nan 0.000 0.579 506 E N 3.028 122.893 120.200 -0.557 0.000 3.161 506 E HA 0.223 4.573 4.350 -0.001 0.000 0.197 506 E C -0.247 175.657 176.600 -1.160 0.000 1.204 506 E CA -0.423 54.924 56.400 -1.756 0.000 1.180 506 E CB 0.387 29.137 29.700 -1.584 0.000 2.346 506 E HN 0.517 nan 8.360 nan 0.000 0.537 507 H N 0.362 119.185 119.070 -0.411 0.000 2.496 507 H HA 0.509 5.064 4.556 -0.001 0.000 0.342 507 H C -0.723 174.710 175.328 0.175 0.000 1.170 507 H CA -0.385 55.636 56.048 -0.044 0.000 1.274 507 H CB 1.968 31.683 29.762 -0.078 0.000 1.538 507 H HN -0.038 nan 8.280 nan 0.000 0.542 508 V N 1.765 121.873 119.914 0.323 0.000 2.686 508 V HA 0.269 4.388 4.120 -0.001 0.000 0.306 508 V C -0.084 176.144 176.094 0.223 0.000 1.065 508 V CA -0.758 61.701 62.300 0.265 0.000 0.894 508 V CB 2.052 34.010 31.823 0.223 0.000 1.004 508 V HN 1.002 nan 8.190 nan 0.000 0.424 509 T N 1.377 116.044 114.554 0.188 0.000 2.893 509 T HA 0.837 5.186 4.350 -0.001 0.000 0.291 509 T C -1.076 173.664 174.700 0.065 0.000 1.028 509 T CA -0.768 61.397 62.100 0.108 0.000 0.995 509 T CB 1.898 70.801 68.868 0.058 0.000 1.051 509 T HN 0.348 nan 8.240 nan 0.000 0.470 510 V N 2.740 122.716 119.914 0.103 0.000 2.443 510 V HA 0.489 4.608 4.120 -0.001 0.000 0.293 510 V C 0.082 176.243 176.094 0.112 0.000 1.021 510 V CA -0.708 61.685 62.300 0.156 0.000 0.848 510 V CB 1.789 33.779 31.823 0.278 0.000 0.998 510 V HN 1.142 nan 8.190 nan 0.000 0.424 511 T N 5.083 119.657 114.554 0.032 0.000 2.767 511 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 511 T C -0.161 174.611 174.700 0.120 0.000 0.963 511 T CA -0.324 61.761 62.100 -0.025 0.000 1.019 511 T CB 1.394 70.194 68.868 -0.113 0.000 0.923 511 T HN 0.737 nan 8.240 nan 0.000 0.468 512 V N 0.380 120.385 119.914 0.152 0.000 2.914 512 V HA 0.824 4.943 4.120 -0.001 0.000 0.314 512 V C -1.255 175.010 176.094 0.284 0.000 1.084 512 V CA -1.159 61.304 62.300 0.272 0.000 0.963 512 V CB 2.366 34.336 31.823 0.245 0.000 1.025 512 V HN 0.697 nan 8.190 nan 0.000 0.432 513 D N 2.722 123.343 120.400 0.369 0.000 2.446 513 D HA 0.566 5.205 4.640 -0.001 0.000 0.251 513 D C -0.892 175.697 176.300 0.481 0.000 1.137 513 D CA -0.167 54.069 54.000 0.393 0.000 0.890 513 D CB 0.709 41.730 40.800 0.367 0.000 1.071 513 D HN 0.705 nan 8.370 nan 0.000 0.528 514 I N 2.638 123.459 120.570 0.418 0.000 2.468 514 I HA 0.267 4.437 4.170 -0.001 0.000 0.285 514 I C -0.299 176.000 176.117 0.303 0.000 1.039 514 I CA -0.903 60.587 61.300 0.316 0.000 1.074 514 I CB 1.910 40.058 38.000 0.246 0.000 1.228 514 I HN 0.106 nan 8.210 nan 0.000 0.436 515 D N 4.523 125.044 120.400 0.201 0.000 2.255 515 D HA 0.432 5.072 4.640 -0.001 0.000 0.249 515 D C -0.055 176.317 176.300 0.119 0.000 1.078 515 D CA 0.308 54.419 54.000 0.185 0.000 0.896 515 D CB 2.120 43.067 40.800 0.244 0.000 1.194 515 D HN 0.599 nan 8.370 nan 0.000 0.429 516 T N -1.769 112.833 114.554 0.079 0.000 2.952 516 T HA 0.321 4.671 4.350 -0.001 0.000 0.305 516 T C 0.618 175.317 174.700 -0.003 0.000 1.064 516 T CA -0.790 61.340 62.100 0.051 0.000 1.008 516 T CB 1.971 70.876 68.868 0.063 0.000 1.078 516 T HN 0.196 nan 8.240 nan 0.000 0.459 517 E N 1.258 121.448 120.200 -0.017 0.000 2.112 517 E HA 0.098 4.448 4.350 -0.001 0.000 0.190 517 E C 0.243 176.763 176.600 -0.134 0.000 0.979 517 E CA 0.683 57.044 56.400 -0.066 0.000 0.814 517 E CB 0.171 29.831 29.700 -0.068 0.000 0.762 517 E HN 0.502 nan 8.360 nan 0.000 0.460 518 I N 0.914 121.390 120.570 -0.156 0.000 2.517 518 I HA 0.159 4.329 4.170 -0.001 0.000 0.280 518 I C 0.778 176.865 176.117 -0.051 0.000 1.061 518 I CA -0.202 60.985 61.300 -0.188 0.000 1.091 518 I CB 1.402 39.117 38.000 -0.475 0.000 1.205 518 I HN -0.029 nan 8.210 nan 0.000 0.459 519 R N 4.067 124.530 120.500 -0.061 0.000 2.081 519 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 519 R C 1.972 178.321 176.300 0.083 0.000 1.131 519 R CA 2.031 58.115 56.100 -0.026 0.000 0.960 519 R CB 0.013 30.181 30.300 -0.219 0.000 0.856 519 R HN 0.808 nan 8.270 nan 0.000 0.436 520 G N -0.504 108.315 108.800 0.033 0.000 2.485 520 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.221 520 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.221 520 G C 1.124 176.083 174.900 0.097 0.000 1.115 520 G CA 1.384 46.514 45.100 0.050 0.000 0.751 520 G HN 0.544 nan 8.290 nan 0.000 0.567 521 T N -1.601 113.036 114.554 0.139 0.000 3.273 521 T HA 0.365 4.715 4.350 -0.001 0.000 0.254 521 T C 0.270 175.049 174.700 0.131 0.000 1.002 521 T CA -0.163 62.023 62.100 0.144 0.000 0.913 521 T CB 0.279 69.294 68.868 0.244 0.000 1.056 521 T HN -0.017 nan 8.240 nan 0.000 0.576 522 T N 3.076 117.729 114.554 0.166 0.000 2.786 522 T HA 0.568 4.918 4.350 -0.001 0.000 0.283 522 T C 0.112 174.875 174.700 0.105 0.000 0.992 522 T CA -0.710 61.482 62.100 0.154 0.000 0.954 522 T CB 1.612 70.649 68.868 0.281 0.000 0.934 522 T HN 0.528 nan 8.240 nan 0.000 0.440 523 T N -0.264 114.284 114.554 -0.010 0.000 2.940 523 T HA 0.801 5.151 4.350 -0.001 0.000 0.288 523 T C -0.621 173.955 174.700 -0.206 0.000 1.033 523 T CA -0.797 61.254 62.100 -0.081 0.000 1.033 523 T CB 1.414 70.237 68.868 -0.075 0.000 1.079 523 T HN 0.314 nan 8.240 nan 0.000 0.496 524 V N 2.315 122.054 119.914 -0.293 0.000 2.567 524 V HA 0.433 4.553 4.120 -0.001 0.000 0.298 524 V C -1.301 174.595 176.094 -0.329 0.000 1.047 524 V CA -0.834 61.231 62.300 -0.390 0.000 0.880 524 V CB 1.727 33.207 31.823 -0.572 0.000 1.009 524 V HN 0.991 nan 8.190 nan 0.000 0.429 525 D N 3.543 123.798 120.400 -0.242 0.000 2.342 525 D HA 0.650 5.290 4.640 -0.001 0.000 0.243 525 D C -0.949 175.285 176.300 -0.110 0.000 1.019 525 D CA -0.413 53.497 54.000 -0.149 0.000 0.864 525 D CB 3.176 43.909 40.800 -0.110 0.000 1.315 525 D HN 0.364 nan 8.370 nan 0.000 0.468 526 L N 1.946 123.169 121.223 0.001 0.000 2.356 526 L HA 0.519 4.859 4.340 -0.001 0.000 0.277 526 L C -1.282 175.673 176.870 0.142 0.000 0.996 526 L CA -0.440 54.452 54.840 0.087 0.000 0.822 526 L CB 1.273 43.457 42.059 0.209 0.000 1.256 526 L HN 0.317 nan 8.230 nan 0.000 0.413 527 I N 4.323 124.944 120.570 0.085 0.000 2.382 527 I HA 0.371 4.541 4.170 -0.001 0.000 0.286 527 I C 0.310 176.353 176.117 -0.123 0.000 1.002 527 I CA -0.547 60.769 61.300 0.027 0.000 1.135 527 I CB 1.859 39.849 38.000 -0.016 0.000 1.288 527 I HN 0.748 nan 8.210 nan 0.000 0.448 528 S N 5.821 121.356 115.700 -0.275 0.000 2.608 528 S HA 0.329 4.799 4.470 -0.001 0.000 0.261 528 S C -1.885 172.308 174.600 -0.679 0.000 1.314 528 S CA -0.945 56.686 58.200 -0.949 0.000 0.992 528 S CB 0.853 63.581 63.200 -0.787 0.000 0.935 528 S HN 0.379 nan 8.310 nan 0.000 0.564 529 P HA 0.021 nan 4.420 nan 0.000 0.219 529 P C 0.865 178.028 177.300 -0.228 0.000 1.146 529 P CA 1.606 64.450 63.100 -0.427 0.000 0.808 529 P CB -0.142 31.338 31.700 -0.366 0.000 0.779 530 A N -1.426 121.269 122.820 -0.209 0.000 2.308 530 A HA 0.505 4.825 4.320 -0.001 0.000 0.217 530 A C 1.550 179.101 177.584 -0.055 0.000 1.216 530 A CA 0.560 52.545 52.037 -0.086 0.000 0.864 530 A CB -0.972 18.008 19.000 -0.033 0.000 0.902 530 A HN 0.217 nan 8.150 nan 0.000 0.499 531 G N -0.527 108.223 108.800 -0.083 0.000 2.136 531 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.242 531 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.242 531 G C 0.069 174.975 174.900 0.010 0.000 0.989 531 G CA 0.210 45.289 45.100 -0.035 0.000 0.682 531 G HN 0.455 nan 8.290 nan 0.000 0.522 532 I N 1.080 121.671 120.570 0.035 0.000 2.416 532 I HA 0.379 4.548 4.170 -0.001 0.000 0.288 532 I C 0.727 176.942 176.117 0.162 0.000 1.051 532 I CA -0.319 61.043 61.300 0.103 0.000 1.375 532 I CB 0.850 38.944 38.000 0.156 0.000 1.407 532 I HN 0.007 nan 8.210 nan 0.000 0.516 533 I N 5.619 126.259 120.570 0.117 0.000 2.378 533 I HA 0.255 4.425 4.170 -0.001 0.000 0.291 533 I C -0.141 176.072 176.117 0.161 0.000 0.992 533 I CA -0.168 61.208 61.300 0.126 0.000 1.154 533 I CB 1.628 39.652 38.000 0.041 0.000 1.315 533 I HN 0.467 nan 8.210 nan 0.000 0.448 534 S N 4.681 120.514 115.700 0.221 0.000 2.449 534 S HA 0.377 4.847 4.470 -0.001 0.000 0.310 534 S C -0.394 174.323 174.600 0.194 0.000 1.096 534 S CA -0.770 57.604 58.200 0.290 0.000 1.095 534 S CB 0.912 64.295 63.200 0.306 0.000 1.007 534 S HN 0.535 nan 8.310 nan 0.000 0.474 535 N N 2.922 121.774 118.700 0.253 0.000 2.558 535 N HA 0.280 5.019 4.740 -0.001 0.000 0.233 535 N C 0.775 176.293 175.510 0.014 0.000 1.038 535 N CA -0.236 52.818 53.050 0.006 0.000 0.934 535 N CB 0.645 39.046 38.487 -0.143 0.000 1.175 535 N HN 0.483 nan 8.380 nan 0.000 0.512 536 L N 0.520 121.624 121.223 -0.198 0.000 2.084 536 L HA 0.191 4.531 4.340 -0.001 0.000 0.202 536 L C 1.367 177.779 176.870 -0.763 0.000 1.074 536 L CA 0.352 54.889 54.840 -0.504 0.000 0.757 536 L CB -0.228 41.355 42.059 -0.792 0.000 0.918 536 L HN 0.434 nan 8.230 nan 0.000 0.444 537 G N 0.521 108.868 108.800 -0.754 0.000 2.422 537 G HA2 0.521 4.481 3.960 -0.001 0.000 0.317 537 G HA3 0.521 4.481 3.960 -0.001 0.000 0.317 537 G C -0.754 174.127 174.900 -0.031 0.000 1.210 537 G CA -0.199 44.686 45.100 -0.358 0.000 0.930 537 G HN -0.023 nan 8.290 nan 0.000 0.468 538 V N 0.595 120.623 119.914 0.190 0.000 3.103 538 V HA 0.731 4.850 4.120 -0.001 0.000 0.318 538 V C 0.198 176.336 176.094 0.072 0.000 1.114 538 V CA -1.142 61.204 62.300 0.077 0.000 1.020 538 V CB 1.649 33.500 31.823 0.046 0.000 1.085 538 V HN 0.463 nan 8.190 nan 0.000 0.446 539 V N 2.669 122.591 119.914 0.014 0.000 2.485 539 V HA 0.321 4.440 4.120 -0.001 0.000 0.287 539 V C 0.584 176.656 176.094 -0.037 0.000 1.022 539 V CA 0.148 62.451 62.300 0.005 0.000 1.067 539 V CB -0.001 31.818 31.823 -0.008 0.000 0.967 539 V HN 0.867 nan 8.190 nan 0.000 0.479 540 R N 5.641 126.109 120.500 -0.053 0.000 2.363 540 R HA 0.269 4.609 4.340 -0.001 0.000 0.297 540 R C -2.044 174.223 176.300 -0.054 0.000 1.208 540 R CA -1.626 54.409 56.100 -0.107 0.000 1.121 540 R CB 1.454 31.613 30.300 -0.234 0.000 1.124 540 R HN 0.465 nan 8.270 nan 0.000 0.561 541 P HA -0.229 nan 4.420 nan 0.000 0.217 541 P C 0.755 178.047 177.300 -0.013 0.000 1.158 541 P CA 1.510 64.602 63.100 -0.013 0.000 0.887 541 P CB 0.230 31.922 31.700 -0.013 0.000 0.792 542 R N -1.384 119.101 120.500 -0.026 0.000 2.235 542 R HA -0.020 4.320 4.340 -0.001 0.000 0.213 542 R C 0.568 176.848 176.300 -0.034 0.000 1.059 542 R CA 0.410 56.497 56.100 -0.023 0.000 0.997 542 R CB -0.663 29.626 30.300 -0.018 0.000 0.884 542 R HN 0.220 nan 8.270 nan 0.000 0.462 543 D N 1.126 121.496 120.400 -0.050 0.000 2.352 543 D HA 0.022 4.662 4.640 -0.001 0.000 0.245 543 D C 0.490 176.755 176.300 -0.059 0.000 1.224 543 D CA -0.132 53.828 54.000 -0.067 0.000 0.879 543 D CB 1.290 42.035 40.800 -0.092 0.000 1.057 543 D HN -0.018 nan 8.370 nan 0.000 0.491 544 V N 1.779 121.652 119.914 -0.069 0.000 2.988 544 V HA 0.298 4.418 4.120 -0.001 0.000 0.356 544 V C 0.595 176.629 176.094 -0.100 0.000 1.380 544 V CA -0.727 61.525 62.300 -0.079 0.000 1.184 544 V CB -0.092 31.692 31.823 -0.065 0.000 1.204 544 V HN 0.377 nan 8.190 nan 0.000 0.530 545 S N 1.636 117.267 115.700 -0.116 0.000 2.562 545 S HA 0.264 4.733 4.470 -0.001 0.000 0.281 545 S C 1.297 175.820 174.600 -0.128 0.000 1.333 545 S CA 0.498 58.620 58.200 -0.131 0.000 1.052 545 S CB 1.150 64.247 63.200 -0.171 0.000 0.884 545 S HN 1.088 nan 8.310 nan 0.000 0.506 546 S N 2.661 118.297 115.700 -0.107 0.000 2.557 546 S HA 0.243 4.713 4.470 -0.001 0.000 0.223 546 S C 0.742 175.296 174.600 -0.076 0.000 0.969 546 S CA -0.380 57.769 58.200 -0.085 0.000 0.927 546 S CB -0.123 63.038 63.200 -0.065 0.000 0.806 546 S HN 0.828 nan 8.310 nan 0.000 0.489 547 E N 1.529 121.663 120.200 -0.110 0.000 2.435 547 E HA 0.266 4.616 4.350 -0.001 0.000 0.195 547 E C 1.419 177.949 176.600 -0.117 0.000 1.029 547 E CA 0.090 56.429 56.400 -0.101 0.000 0.865 547 E CB -0.233 29.394 29.700 -0.122 0.000 0.833 547 E HN 0.672 nan 8.360 nan 0.000 0.510 548 G N 1.639 110.329 108.800 -0.183 0.000 2.622 548 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.272 548 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.272 548 G C -0.478 174.198 174.900 -0.374 0.000 1.308 548 G CA -0.205 44.764 45.100 -0.218 0.000 0.919 548 G HN 0.226 nan 8.290 nan 0.000 0.565 549 F N 1.159 121.137 119.950 0.048 0.000 2.308 549 F HA 0.480 5.007 4.527 -0.001 0.000 0.370 549 F C 0.617 176.485 175.800 0.113 0.000 1.100 549 F CA -0.661 57.367 58.000 0.048 0.000 1.108 549 F CB 1.800 40.846 39.000 0.077 0.000 1.293 549 F HN -0.002 nan 8.300 nan 0.000 0.478 550 K N 3.635 124.161 120.400 0.210 0.000 2.231 550 K HA 0.165 4.485 4.320 -0.001 0.000 0.255 550 K C -0.291 176.416 176.600 0.179 0.000 1.108 550 K CA -0.228 56.167 56.287 0.180 0.000 0.997 550 K CB 0.175 32.737 32.500 0.103 0.000 1.549 550 K HN 0.590 nan 8.250 nan 0.000 0.419 551 D N 0.688 121.202 120.400 0.190 0.000 2.746 551 D HA -0.217 4.422 4.640 -0.001 0.000 0.236 551 D C -0.441 175.914 176.300 0.092 0.000 1.129 551 D CA 0.695 54.764 54.000 0.115 0.000 0.691 551 D CB -0.666 40.169 40.800 0.058 0.000 1.077 551 D HN 0.614 nan 8.370 nan 0.000 0.432 552 W N 0.770 122.030 121.300 -0.067 0.000 2.316 552 W HA 0.329 4.988 4.660 -0.001 0.000 0.321 552 W C -0.448 175.878 176.519 -0.323 0.000 1.203 552 W CA 0.009 57.232 57.345 -0.204 0.000 1.214 552 W CB 1.088 30.415 29.460 -0.222 0.000 1.169 552 W HN -0.144 nan 8.180 nan 0.000 0.561 553 T N 7.224 121.042 114.554 -1.227 0.000 2.756 553 T HA 0.339 4.688 4.350 -0.001 0.000 0.290 553 T C -0.512 173.614 174.700 -0.957 0.000 0.985 553 T CA -0.201 61.378 62.100 -0.868 0.000 0.955 553 T CB 0.277 68.778 68.868 -0.612 0.000 0.930 553 T HN 0.178 nan 8.240 nan 0.000 0.451 554 F N 2.740 122.490 119.950 -0.333 0.000 2.378 554 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 554 F C 0.601 176.336 175.800 -0.109 0.000 1.097 554 F CA -1.006 56.908 58.000 -0.143 0.000 1.079 554 F CB 1.131 40.115 39.000 -0.027 0.000 1.240 554 F HN 0.149 nan 8.300 nan 0.000 0.519 555 M N 1.947 121.653 119.600 0.177 0.000 2.550 555 M HA 0.462 4.942 4.480 -0.001 0.000 0.292 555 M C -1.589 174.799 176.300 0.146 0.000 1.221 555 M CA -0.287 55.077 55.300 0.107 0.000 0.873 555 M CB 2.144 34.745 32.600 0.002 0.000 1.727 555 M HN 0.545 nan 8.290 nan 0.000 0.459 556 S N 1.885 117.689 115.700 0.172 0.000 2.546 556 S HA 0.600 5.069 4.470 -0.001 0.000 0.272 556 S C -0.143 174.554 174.600 0.162 0.000 1.140 556 S CA -0.442 57.841 58.200 0.137 0.000 0.920 556 S CB 1.362 64.670 63.200 0.181 0.000 1.083 556 S HN 0.764 nan 8.310 nan 0.000 0.476 557 V N 2.745 122.687 119.914 0.048 0.000 3.483 557 V HA 0.537 4.657 4.120 -0.001 0.000 0.301 557 V C 1.684 177.719 176.094 -0.098 0.000 1.389 557 V CA 0.793 63.190 62.300 0.161 0.000 1.101 557 V CB -0.244 31.757 31.823 0.296 0.000 0.971 557 V HN 0.856 nan 8.190 nan 0.000 0.434 558 A N 0.063 122.591 122.820 -0.488 0.000 2.121 558 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 558 A C 1.783 179.161 177.584 -0.343 0.000 1.154 558 A CA 1.446 53.035 52.037 -0.748 0.000 0.679 558 A CB -0.796 17.803 19.000 -0.668 0.000 0.795 558 A HN 0.762 nan 8.150 nan 0.000 0.458 559 H N -2.647 116.507 119.070 0.140 0.000 2.517 559 H HA 0.012 4.567 4.556 -0.001 0.000 0.282 559 H C -0.132 175.347 175.328 0.251 0.000 1.023 559 H CA -0.556 55.629 56.048 0.229 0.000 1.169 559 H CB -0.193 29.776 29.762 0.344 0.000 1.454 559 H HN 0.616 nan 8.280 nan 0.000 0.556 560 W N 2.099 123.468 121.300 0.115 0.000 2.295 560 W HA 0.168 4.827 4.660 -0.000 0.000 0.335 560 W C 1.007 177.555 176.519 0.048 0.000 1.351 560 W CA 2.422 59.777 57.345 0.018 0.000 1.273 560 W CB 0.287 29.669 29.460 -0.129 0.000 1.214 560 W HN 0.575 nan 8.180 nan 0.000 0.563 561 G N 3.332 112.291 108.800 0.264 0.000 2.279 561 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.223 561 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.223 561 G C 0.243 175.265 174.900 0.202 0.000 1.015 561 G CA -0.019 45.233 45.100 0.254 0.000 0.621 561 G HN 0.539 nan 8.290 nan 0.000 0.506 562 E N 0.801 121.138 120.200 0.228 0.000 2.392 562 E HA 0.327 4.677 4.350 -0.001 0.000 0.259 562 E C 1.273 178.017 176.600 0.239 0.000 1.108 562 E CA 0.240 56.774 56.400 0.224 0.000 0.916 562 E CB 0.315 30.177 29.700 0.270 0.000 0.989 562 E HN 0.511 nan 8.360 nan 0.000 0.432 563 N N 0.856 119.683 118.700 0.213 0.000 2.392 563 N HA 0.034 4.773 4.740 -0.001 0.000 0.177 563 N C 1.117 176.798 175.510 0.285 0.000 1.066 563 N CA 0.641 53.827 53.050 0.225 0.000 0.895 563 N CB 0.633 39.206 38.487 0.143 0.000 0.988 563 N HN 0.683 nan 8.380 nan 0.000 0.457 564 G N -0.906 108.090 108.800 0.327 0.000 2.213 564 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.236 564 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.236 564 G C -0.240 174.889 174.900 0.382 0.000 0.991 564 G CA 0.193 45.558 45.100 0.440 0.000 0.629 564 G HN 0.308 nan 8.290 nan 0.000 0.517 565 V N 1.418 121.450 119.914 0.197 0.000 2.572 565 V HA 0.599 4.718 4.120 -0.001 0.000 0.291 565 V C 1.160 177.318 176.094 0.106 0.000 1.039 565 V CA 1.460 63.836 62.300 0.127 0.000 1.055 565 V CB 0.500 32.363 31.823 0.066 0.000 0.969 565 V HN 1.993 nan 8.190 nan 0.000 0.482 566 G N 4.759 113.627 108.800 0.114 0.000 2.298 566 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.309 566 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.309 566 G C -1.587 173.368 174.900 0.092 0.000 1.279 566 G CA -0.772 44.357 45.100 0.047 0.000 1.042 566 G HN 0.572 nan 8.290 nan 0.000 0.480 567 D N 0.063 120.461 120.400 -0.004 0.000 2.198 567 D HA 0.577 5.217 4.640 -0.001 0.000 0.245 567 D C -0.806 175.466 176.300 -0.047 0.000 1.079 567 D CA 0.310 54.346 54.000 0.059 0.000 0.854 567 D CB 0.937 41.760 40.800 0.038 0.000 1.148 567 D HN 0.406 nan 8.370 nan 0.000 0.456 568 W N 1.514 122.870 121.300 0.093 0.000 2.529 568 W HA 0.394 5.054 4.660 -0.000 0.000 0.321 568 W C 0.414 177.012 176.519 0.132 0.000 1.047 568 W CA -0.916 56.494 57.345 0.109 0.000 1.216 568 W CB 1.498 31.051 29.460 0.155 0.000 1.357 568 W HN 0.082 nan 8.180 nan 0.000 0.489 569 K N 4.134 124.662 120.400 0.212 0.000 2.378 569 K HA 0.696 5.016 4.320 -0.001 0.000 0.252 569 K C -1.579 174.965 176.600 -0.093 0.000 0.931 569 K CA -0.674 55.649 56.287 0.060 0.000 0.794 569 K CB 1.851 34.359 32.500 0.014 0.000 1.181 569 K HN 0.666 nan 8.250 nan 0.000 0.425 570 I N 3.012 123.372 120.570 -0.351 0.000 2.530 570 I HA 0.424 4.594 4.170 -0.001 0.000 0.297 570 I C -1.450 174.473 176.117 -0.323 0.000 1.011 570 I CA -0.732 60.281 61.300 -0.479 0.000 1.107 570 I CB 1.325 38.687 38.000 -1.064 0.000 1.285 570 I HN 0.641 nan 8.210 nan 0.000 0.436 571 K N 6.416 126.655 120.400 -0.268 0.000 2.507 571 K HA 0.607 4.927 4.320 -0.001 0.000 0.252 571 K C -1.625 174.812 176.600 -0.272 0.000 0.943 571 K CA -0.652 55.513 56.287 -0.205 0.000 0.808 571 K CB 2.572 34.992 32.500 -0.133 0.000 1.142 571 K HN 0.303 nan 8.250 nan 0.000 0.426 572 V N 3.732 123.472 119.914 -0.290 0.000 2.540 572 V HA 0.516 4.635 4.120 -0.001 0.000 0.302 572 V C -0.540 175.447 176.094 -0.178 0.000 1.035 572 V CA -0.712 61.379 62.300 -0.347 0.000 0.873 572 V CB 1.586 32.999 31.823 -0.684 0.000 0.992 572 V HN 0.839 nan 8.190 nan 0.000 0.428 573 K N 1.242 121.563 120.400 -0.131 0.000 2.548 573 K HA 0.695 5.015 4.320 -0.001 0.000 0.282 573 K C -1.239 175.345 176.600 -0.027 0.000 1.006 573 K CA -0.741 55.508 56.287 -0.063 0.000 0.892 573 K CB 2.266 34.732 32.500 -0.056 0.000 1.499 573 K HN 0.448 nan 8.250 nan 0.000 0.433 574 T N 0.166 114.719 114.554 -0.002 0.000 2.823 574 T HA 0.251 4.600 4.350 -0.001 0.000 0.279 574 T C 0.459 175.156 174.700 -0.005 0.000 0.998 574 T CA -0.323 61.792 62.100 0.025 0.000 0.994 574 T CB 0.977 69.877 68.868 0.054 0.000 0.960 574 T HN 0.682 nan 8.240 nan 0.000 0.448 575 T N 1.125 115.674 114.554 -0.009 0.000 3.122 575 T HA 0.365 4.714 4.350 -0.001 0.000 0.250 575 T C 0.194 174.836 174.700 -0.097 0.000 1.067 575 T CA -0.262 61.813 62.100 -0.042 0.000 0.966 575 T CB 0.016 68.867 68.868 -0.028 0.000 1.002 575 T HN 0.453 nan 8.240 nan 0.000 0.542 576 E N 1.561 121.664 120.200 -0.161 0.000 2.281 576 E HA 0.354 4.703 4.350 -0.001 0.000 0.266 576 E C -1.184 175.255 176.600 -0.268 0.000 0.893 576 E CA -0.602 55.603 56.400 -0.324 0.000 0.798 576 E CB 0.891 30.138 29.700 -0.755 0.000 1.245 576 E HN 0.087 nan 8.360 nan 0.000 0.410 577 N N 2.083 120.688 118.700 -0.159 0.000 2.412 577 N HA 0.201 4.941 4.740 -0.001 0.000 0.254 577 N C 1.018 176.495 175.510 -0.055 0.000 1.232 577 N CA 1.702 54.706 53.050 -0.077 0.000 0.880 577 N CB 1.093 39.551 38.487 -0.049 0.000 1.076 577 N HN 0.839 nan 8.380 nan 0.000 0.458 578 G N 1.327 110.141 108.800 0.023 0.000 2.258 578 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.233 578 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.233 578 G C -0.130 174.896 174.900 0.209 0.000 1.006 578 G CA -0.288 44.869 45.100 0.094 0.000 0.620 578 G HN 0.785 nan 8.290 nan 0.000 0.511 579 H N 1.438 120.514 119.070 0.010 0.000 3.008 579 H HA 0.348 4.903 4.556 -0.000 0.000 0.268 579 H C 0.946 176.285 175.328 0.019 0.000 1.323 579 H CA -0.555 55.502 56.048 0.013 0.000 1.401 579 H CB 0.394 30.164 29.762 0.013 0.000 1.556 579 H HN 0.387 nan 8.280 nan 0.000 0.502 580 R N 3.912 124.484 120.500 0.120 0.000 2.537 580 R HA 0.215 4.555 4.340 -0.001 0.000 0.280 580 R C -0.358 175.985 176.300 0.072 0.000 1.058 580 R CA -0.229 55.919 56.100 0.080 0.000 1.057 580 R CB 0.342 30.678 30.300 0.059 0.000 0.973 580 R HN 0.622 nan 8.270 nan 0.000 0.438 581 I N 0.136 120.745 120.570 0.065 0.000 2.689 581 I HA 0.486 4.656 4.170 -0.001 0.000 0.299 581 I C -1.341 174.798 176.117 0.037 0.000 1.059 581 I CA -1.024 60.312 61.300 0.061 0.000 1.055 581 I CB 2.671 40.710 38.000 0.065 0.000 1.243 581 I HN 0.470 nan 8.210 nan 0.000 0.425 582 D N 5.734 126.133 120.400 -0.003 0.000 2.454 582 D HA 0.220 4.860 4.640 -0.001 0.000 0.247 582 D C -1.280 174.879 176.300 -0.236 0.000 1.129 582 D CA -0.123 53.803 54.000 -0.123 0.000 0.877 582 D CB 2.105 42.805 40.800 -0.167 0.000 1.082 582 D HN 0.379 nan 8.370 nan 0.000 0.537 583 F N 4.130 123.940 119.950 -0.234 0.000 2.439 583 F HA 0.125 4.652 4.527 -0.001 0.000 0.356 583 F C 1.109 176.849 175.800 -0.100 0.000 1.161 583 F CA -0.382 57.535 58.000 -0.137 0.000 1.151 583 F CB 0.099 39.069 39.000 -0.049 0.000 1.222 583 F HN 0.354 nan 8.300 nan 0.000 0.558 584 H N 2.553 121.837 119.070 0.356 0.000 2.329 584 H HA 0.117 4.673 4.556 -0.000 0.000 0.306 584 H C 0.912 176.283 175.328 0.073 0.000 1.062 584 H CA 1.259 57.414 56.048 0.178 0.000 1.364 584 H CB 0.124 30.022 29.762 0.225 0.000 1.409 584 H HN 0.485 nan 8.280 nan 0.000 0.519 585 S N -0.982 114.886 115.700 0.281 0.000 2.636 585 S HA 0.442 4.911 4.470 -0.001 0.000 0.268 585 S C -1.936 172.942 174.600 0.463 0.000 1.159 585 S CA -0.987 57.282 58.200 0.115 0.000 0.815 585 S CB 2.314 65.459 63.200 -0.092 0.000 1.130 585 S HN 0.502 nan 8.310 nan 0.000 0.471 586 W N 0.459 121.757 121.300 -0.004 0.000 3.296 586 W HA 0.734 5.394 4.660 -0.001 0.000 0.314 586 W C -1.726 174.742 176.519 -0.084 0.000 1.238 586 W CA -0.768 56.632 57.345 0.091 0.000 1.193 586 W CB 1.255 30.888 29.460 0.289 0.000 1.383 586 W HN 1.086 nan 8.180 nan 0.000 0.545 587 R N 3.671 124.087 120.500 -0.140 0.000 2.473 587 R HA 0.472 4.811 4.340 -0.001 0.000 0.303 587 R C -1.615 174.506 176.300 -0.298 0.000 1.002 587 R CA -0.755 55.102 56.100 -0.405 0.000 0.884 587 R CB 1.860 31.959 30.300 -0.335 0.000 1.173 587 R HN 0.579 nan 8.270 nan 0.000 0.464 588 L N 3.467 124.419 121.223 -0.452 0.000 2.395 588 L HA 0.432 4.772 4.340 -0.001 0.000 0.269 588 L C -0.945 175.717 176.870 -0.346 0.000 1.133 588 L CA 0.503 55.163 54.840 -0.300 0.000 0.812 588 L CB 0.850 42.689 42.059 -0.368 0.000 1.125 588 L HN 0.577 nan 8.230 nan 0.000 0.452 589 K N 4.756 125.000 120.400 -0.260 0.000 2.482 589 K HA 0.535 4.855 4.320 -0.001 0.000 0.251 589 K C -1.751 174.739 176.600 -0.183 0.000 0.936 589 K CA -0.751 55.386 56.287 -0.251 0.000 0.791 589 K CB 1.858 34.179 32.500 -0.299 0.000 1.213 589 K HN 0.313 nan 8.250 nan 0.000 0.428 590 L N 3.626 124.712 121.223 -0.228 0.000 2.322 590 L HA 0.535 4.874 4.340 -0.001 0.000 0.281 590 L C -1.009 175.889 176.870 0.047 0.000 1.014 590 L CA -0.191 54.579 54.840 -0.116 0.000 0.815 590 L CB 0.595 42.417 42.059 -0.395 0.000 1.247 590 L HN 0.466 nan 8.230 nan 0.000 0.421 591 F N 1.366 121.545 119.950 0.381 0.000 2.495 591 F HA 0.837 5.363 4.527 -0.001 0.000 0.327 591 F C 0.753 176.743 175.800 0.317 0.000 1.103 591 F CA -0.345 57.929 58.000 0.457 0.000 0.949 591 F CB 2.253 41.443 39.000 0.316 0.000 1.142 591 F HN 0.531 nan 8.300 nan 0.000 0.457 592 G N 1.466 110.453 108.800 0.311 0.000 2.494 592 G HA2 0.300 4.259 3.960 -0.001 0.000 0.308 592 G HA3 0.300 4.259 3.960 -0.001 0.000 0.308 592 G C -1.896 172.846 174.900 -0.263 0.000 1.263 592 G CA -0.833 44.162 45.100 -0.175 0.000 0.840 592 G HN 0.541 nan 8.290 nan 0.000 0.479 593 E N 0.320 120.315 120.200 -0.342 0.000 2.283 593 E HA 0.491 4.840 4.350 -0.001 0.000 0.278 593 E C 0.692 177.077 176.600 -0.357 0.000 1.027 593 E CA -0.279 55.981 56.400 -0.232 0.000 0.843 593 E CB 0.829 30.459 29.700 -0.116 0.000 1.062 593 E HN 0.605 nan 8.360 nan 0.000 0.401 594 S N 3.709 119.266 115.700 -0.238 0.000 2.603 594 S HA 0.181 4.650 4.470 -0.001 0.000 0.268 594 S C 1.231 175.729 174.600 -0.171 0.000 1.317 594 S CA -0.639 57.430 58.200 -0.218 0.000 1.012 594 S CB 0.847 63.951 63.200 -0.160 0.000 0.926 594 S HN 0.645 nan 8.310 nan 0.000 0.539 595 I N 0.114 120.600 120.570 -0.140 0.000 2.333 595 I HA 0.043 4.212 4.170 -0.001 0.000 0.246 595 I C 0.657 176.720 176.117 -0.090 0.000 1.106 595 I CA 1.005 62.243 61.300 -0.104 0.000 1.411 595 I CB -0.044 37.909 38.000 -0.080 0.000 1.082 595 I HN 0.626 nan 8.210 nan 0.000 0.420 596 D N -0.214 120.134 120.400 -0.087 0.000 2.469 596 D HA 0.198 4.838 4.640 -0.001 0.000 0.251 596 D C 0.591 176.846 176.300 -0.076 0.000 1.173 596 D CA -0.105 53.851 54.000 -0.074 0.000 0.882 596 D CB 1.734 42.496 40.800 -0.062 0.000 1.129 596 D HN -0.145 nan 8.370 nan 0.000 0.549 597 S N 1.407 117.066 115.700 -0.069 0.000 2.383 597 S HA -0.186 4.284 4.470 -0.001 0.000 0.229 597 S C 2.009 176.579 174.600 -0.049 0.000 1.030 597 S CA 1.516 59.680 58.200 -0.059 0.000 1.002 597 S CB -0.066 63.106 63.200 -0.047 0.000 0.829 597 S HN 0.696 nan 8.310 nan 0.000 0.467 598 S N 1.650 117.323 115.700 -0.044 0.000 2.440 598 S HA -0.080 4.389 4.470 -0.001 0.000 0.238 598 S C 1.561 176.135 174.600 -0.042 0.000 1.010 598 S CA 0.911 59.090 58.200 -0.036 0.000 0.972 598 S CB -0.262 62.919 63.200 -0.032 0.000 0.774 598 S HN 0.494 nan 8.310 nan 0.000 0.501 599 K N 0.448 120.814 120.400 -0.056 0.000 2.128 599 K HA 0.084 4.404 4.320 -0.001 0.000 0.202 599 K C 0.982 177.530 176.600 -0.086 0.000 1.050 599 K CA 0.882 57.130 56.287 -0.065 0.000 0.966 599 K CB -0.394 32.064 32.500 -0.069 0.000 0.759 599 K HN 0.310 nan 8.250 nan 0.000 0.454 600 T N 2.510 117.001 114.554 -0.105 0.000 2.751 600 T HA 0.049 4.398 4.350 -0.001 0.000 0.290 600 T C -0.819 173.821 174.700 -0.101 0.000 0.919 600 T CA -0.002 62.009 62.100 -0.148 0.000 1.136 600 T CB -0.223 68.543 68.868 -0.171 0.000 0.875 600 T HN 0.340 nan 8.240 nan 0.000 0.532 601 E N 0.000 120.141 120.200 -0.098 0.000 2.725 601 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 601 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 601 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 601 E HN 0.000 nan 8.360 nan 0.000 0.440