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 3gd3_1_C DATA FIRST_RESID 128 DATA SEQUENCE PSHVPFLLIG GGTAAFAAAR SIRARDPGAR VLIVSEDPEL PYMRPPLSKE DATA SEQUENCE LWFSDDPNVT KTLQFRQWNG KERSIYFQPP SFYVSAQDLP NIENGGVAVL DATA SEQUENCE TGKKVVHLDV RGNMVKLNDG SQITFEKCLI ATGGTPRSLS AIDRAGAEVK DATA SEQUENCE SRTTLFRKIG DFRALEKISR EVKSITVIGG GFLGSELACA LGRKSQASGI DATA SEQUENCE EVIQLFPEKG NMGKILPQYL SNWTMEKVKR EGVKVMPNAI VQSVGVSGGR DATA SEQUENCE LLIKLKDGRK VETDHIVTAV GLEPNVELAK TGGLEIDSDF GGFRVNAELQ DATA SEQUENCE ARSNIWVAGD AACFYDIKLG RRRVEHHDHA VVSGRLAGEN MTGAAKPYWH DATA SEQUENCE QSMFWSDLGP DVGYEAIGLV DSSLPTVGVF AKATAQDNPK SATEQSGTGI DATA SEQUENCE RSESETESEA SEITXXXXXX XXXXXXXXXX DYGKGVIFYL RDKVVVGIVL DATA SEQUENCE WNVFNRMPIA RKIIKDGEQH EDLNEVAKLF NIH 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 128 P HA 0.000 nan 4.420 nan 0.000 0.216 128 P C 0.000 177.332 177.300 0.054 0.000 1.155 128 P CA 0.000 63.127 63.100 0.046 0.000 0.800 128 P CB 0.000 31.727 31.700 0.046 0.000 0.726 129 S N -1.440 114.301 115.700 0.069 0.000 2.615 129 S HA 0.679 5.150 4.470 0.001 0.000 0.269 129 S C -1.472 173.204 174.600 0.126 0.000 1.161 129 S CA -0.701 57.551 58.200 0.088 0.000 0.817 129 S CB 2.062 65.305 63.200 0.072 0.000 1.131 129 S HN 1.025 nan 8.310 nan 0.000 0.467 130 H N -0.960 118.129 119.070 0.032 0.000 2.622 130 H HA 0.850 5.406 4.556 0.001 0.000 0.363 130 H C -1.537 173.820 175.328 0.048 0.000 1.151 130 H CA -0.790 55.277 56.048 0.032 0.000 1.184 130 H CB 1.896 31.663 29.762 0.008 0.000 1.643 130 H HN 0.729 nan 8.280 nan 0.000 0.531 131 V N 6.264 125.959 119.914 -0.366 0.000 2.852 131 V HA 0.247 4.368 4.120 0.001 0.000 0.300 131 V C -2.350 173.585 176.094 -0.265 0.000 1.205 131 V CA -1.750 60.464 62.300 -0.143 0.000 0.940 131 V CB 2.364 34.183 31.823 -0.007 0.000 1.047 131 V HN 0.792 nan 8.190 nan 0.000 0.429 132 P HA 0.059 nan 4.420 nan 0.000 0.215 132 P C -0.084 176.984 177.300 -0.386 0.000 1.157 132 P CA 1.108 64.055 63.100 -0.255 0.000 0.859 132 P CB 0.158 31.707 31.700 -0.250 0.000 0.786 133 F N -0.253 119.708 119.950 0.018 0.000 2.388 133 F HA 0.398 4.925 4.527 0.001 0.000 0.358 133 F C 0.213 175.995 175.800 -0.030 0.000 1.122 133 F CA -0.991 57.005 58.000 -0.007 0.000 1.056 133 F CB 0.890 39.870 39.000 -0.035 0.000 1.155 133 F HN -0.248 nan 8.300 nan 0.000 0.461 134 L N 5.889 127.151 121.223 0.065 0.000 2.319 134 L HA 0.590 4.930 4.340 0.001 0.000 0.281 134 L C -1.223 175.611 176.870 -0.060 0.000 1.005 134 L CA -0.547 54.278 54.840 -0.024 0.000 0.828 134 L CB 0.938 42.925 42.059 -0.120 0.000 1.227 134 L HN 0.454 nan 8.230 nan 0.000 0.415 135 L N 6.191 127.406 121.223 -0.013 0.000 2.295 135 L HA 0.538 4.878 4.340 0.001 0.000 0.285 135 L C -0.436 176.422 176.870 -0.020 0.000 1.035 135 L CA -0.595 54.232 54.840 -0.022 0.000 0.806 135 L CB 1.508 43.569 42.059 0.003 0.000 1.214 135 L HN 0.507 nan 8.230 nan 0.000 0.426 136 I N 2.843 123.390 120.570 -0.039 0.000 2.312 136 I HA 0.595 4.766 4.170 0.001 0.000 0.290 136 I C 0.618 176.741 176.117 0.009 0.000 1.008 136 I CA -0.225 61.062 61.300 -0.022 0.000 1.226 136 I CB 1.374 39.343 38.000 -0.051 0.000 1.371 136 I HN 0.841 nan 8.210 nan 0.000 0.468 137 G N 3.778 112.596 108.800 0.031 0.000 2.895 137 G HA2 -0.035 3.926 3.960 0.001 0.000 0.686 137 G HA3 -0.035 3.926 3.960 0.001 0.000 0.686 137 G C -0.007 174.924 174.900 0.052 0.000 1.108 137 G CA -0.451 44.676 45.100 0.045 0.000 0.761 137 G HN 1.032 nan 8.290 nan 0.000 0.611 138 G N 0.833 109.668 108.800 0.057 0.000 4.637 138 G HA2 0.711 4.672 3.960 0.001 0.000 0.308 138 G HA3 0.711 4.672 3.960 0.001 0.000 0.308 138 G C 0.759 175.699 174.900 0.066 0.000 1.377 138 G CA 0.858 46.006 45.100 0.080 0.000 1.176 138 G HN 1.351 nan 8.290 nan 0.000 0.601 139 G N -0.017 108.818 108.800 0.059 0.000 2.940 139 G HA2 0.417 4.377 3.960 0.001 0.000 0.164 139 G HA3 0.417 4.377 3.960 0.001 0.000 0.164 139 G C 1.162 176.148 174.900 0.142 0.000 1.326 139 G CA 0.531 45.662 45.100 0.051 0.000 1.020 139 G HN 0.114 nan 8.290 nan 0.000 0.586 140 T N 1.062 115.711 114.554 0.158 0.000 2.674 140 T HA -0.046 4.304 4.350 0.001 0.000 0.265 140 T C 2.703 177.388 174.700 -0.026 0.000 1.039 140 T CA 1.943 64.132 62.100 0.148 0.000 1.150 140 T CB -0.656 68.303 68.868 0.152 0.000 0.864 140 T HN 0.577 nan 8.240 nan 0.000 0.427 141 A N 1.653 124.462 122.820 -0.018 0.000 1.940 141 A HA 0.160 4.480 4.320 0.001 0.000 0.219 141 A C 2.653 180.188 177.584 -0.081 0.000 1.176 141 A CA 1.880 53.874 52.037 -0.071 0.000 0.631 141 A CB -1.173 17.804 19.000 -0.038 0.000 0.814 141 A HN 0.551 nan 8.150 nan 0.000 0.446 142 A N -0.950 121.858 122.820 -0.020 0.000 1.841 142 A HA -0.010 4.310 4.320 0.001 0.000 0.214 142 A C 2.061 179.635 177.584 -0.016 0.000 1.195 142 A CA 1.608 53.643 52.037 -0.003 0.000 0.611 142 A CB -0.814 18.220 19.000 0.056 0.000 0.835 142 A HN 0.749 nan 8.150 nan 0.000 0.443 143 F N 1.183 121.055 119.950 -0.130 0.000 2.171 143 F HA -0.044 4.484 4.527 0.001 0.000 0.300 143 F C 2.446 178.080 175.800 -0.276 0.000 1.090 143 F CA 1.000 58.886 58.000 -0.191 0.000 1.293 143 F CB -0.521 38.299 39.000 -0.300 0.000 1.013 143 F HN 0.250 nan 8.300 nan 0.000 0.486 144 A N 0.682 123.195 122.820 -0.512 0.000 1.883 144 A HA -0.115 4.205 4.320 0.001 0.000 0.217 144 A C 2.470 179.777 177.584 -0.462 0.000 1.186 144 A CA 2.180 53.889 52.037 -0.545 0.000 0.624 144 A CB -1.648 17.144 19.000 -0.347 0.000 0.822 144 A HN 0.526 nan 8.150 nan 0.000 0.444 145 A N -0.336 122.282 122.820 -0.337 0.000 1.898 145 A HA 0.197 4.517 4.320 0.001 0.000 0.216 145 A C 2.519 179.909 177.584 -0.323 0.000 1.181 145 A CA 2.036 53.895 52.037 -0.297 0.000 0.620 145 A CB -1.079 17.781 19.000 -0.232 0.000 0.819 145 A HN 1.132 nan 8.150 nan 0.000 0.442 146 A N -0.238 122.397 122.820 -0.307 0.000 1.892 146 A HA -0.247 4.074 4.320 0.001 0.000 0.218 146 A C 2.283 179.674 177.584 -0.322 0.000 1.188 146 A CA 1.771 53.650 52.037 -0.264 0.000 0.631 146 A CB -0.593 18.330 19.000 -0.128 0.000 0.822 146 A HN 0.486 nan 8.150 nan 0.000 0.447 147 R N -0.162 120.044 120.500 -0.490 0.000 2.096 147 R HA -0.153 4.188 4.340 0.001 0.000 0.240 147 R C 2.618 178.739 176.300 -0.297 0.000 1.139 147 R CA 2.031 57.880 56.100 -0.419 0.000 0.952 147 R CB -0.428 29.519 30.300 -0.589 0.000 0.854 147 R HN 0.756 nan 8.270 nan 0.000 0.436 148 S N -0.269 115.244 115.700 -0.312 0.000 2.470 148 S HA 0.014 4.484 4.470 0.001 0.000 0.225 148 S C 2.052 176.488 174.600 -0.274 0.000 1.006 148 S CA 0.247 58.292 58.200 -0.258 0.000 0.934 148 S CB -0.223 62.829 63.200 -0.246 0.000 0.778 148 S HN 0.197 nan 8.310 nan 0.000 0.517 149 I N 1.718 122.084 120.570 -0.341 0.000 2.113 149 I HA -0.172 3.999 4.170 0.001 0.000 0.238 149 I C 2.923 178.828 176.117 -0.354 0.000 1.070 149 I CA 1.121 62.150 61.300 -0.451 0.000 1.332 149 I CB -0.344 37.243 38.000 -0.689 0.000 1.044 149 I HN 0.207 nan 8.210 nan 0.000 0.402 150 R N 0.861 121.191 120.500 -0.285 0.000 2.153 150 R HA -0.238 4.102 4.340 0.001 0.000 0.252 150 R C 2.137 178.351 176.300 -0.143 0.000 1.158 150 R CA 1.906 57.897 56.100 -0.183 0.000 0.975 150 R CB -1.140 29.084 30.300 -0.127 0.000 0.871 150 R HN 0.489 nan 8.270 nan 0.000 0.450 151 A N 0.680 123.408 122.820 -0.153 0.000 1.878 151 A HA -0.025 4.296 4.320 0.001 0.000 0.213 151 A C 2.179 179.699 177.584 -0.107 0.000 1.192 151 A CA 0.517 52.484 52.037 -0.116 0.000 0.619 151 A CB -0.143 18.785 19.000 -0.120 0.000 0.837 151 A HN 0.068 nan 8.150 nan 0.000 0.446 152 R N -0.018 120.404 120.500 -0.131 0.000 2.120 152 R HA -0.071 4.270 4.340 0.001 0.000 0.234 152 R C -0.452 175.795 176.300 -0.087 0.000 1.123 152 R CA 1.201 57.237 56.100 -0.107 0.000 0.975 152 R CB -0.474 29.751 30.300 -0.125 0.000 0.866 152 R HN 0.525 nan 8.270 nan 0.000 0.446 153 D N 0.532 120.866 120.400 -0.111 0.000 2.473 153 D HA 0.227 4.868 4.640 0.001 0.000 0.253 153 D C -2.503 173.755 176.300 -0.070 0.000 1.233 153 D CA -2.562 51.394 54.000 -0.074 0.000 0.908 153 D CB 1.847 42.615 40.800 -0.053 0.000 1.170 153 D HN -0.141 nan 8.370 nan 0.000 0.558 154 P HA 0.183 nan 4.420 nan 0.000 0.271 154 P C 0.898 178.188 177.300 -0.018 0.000 1.238 154 P CA 0.329 63.408 63.100 -0.034 0.000 0.794 154 P CB 0.557 32.244 31.700 -0.022 0.000 0.959 155 G N -0.523 108.268 108.800 -0.014 0.000 2.200 155 G HA2 -0.230 3.731 3.960 0.001 0.000 0.267 155 G HA3 -0.230 3.731 3.960 0.001 0.000 0.267 155 G C 0.491 175.409 174.900 0.029 0.000 0.993 155 G CA 0.362 45.465 45.100 0.005 0.000 0.701 155 G HN 0.906 nan 8.290 nan 0.000 0.524 156 A N -0.424 122.404 122.820 0.013 0.000 2.425 156 A HA 0.717 5.037 4.320 0.001 0.000 0.249 156 A C 0.684 178.312 177.584 0.073 0.000 1.084 156 A CA 0.046 52.121 52.037 0.063 0.000 0.781 156 A CB 0.325 19.268 19.000 -0.096 0.000 1.019 156 A HN 0.492 nan 8.150 nan 0.000 0.490 157 R N 1.002 121.614 120.500 0.186 0.000 2.229 157 R HA 0.526 4.867 4.340 0.001 0.000 0.332 157 R C -1.253 175.177 176.300 0.215 0.000 0.989 157 R CA -0.148 56.042 56.100 0.149 0.000 0.842 157 R CB 1.543 31.926 30.300 0.138 0.000 1.119 157 R HN 0.444 nan 8.270 nan 0.000 0.456 158 V N 4.686 124.666 119.914 0.110 0.000 2.531 158 V HA 0.409 4.529 4.120 0.001 0.000 0.301 158 V C -1.151 174.996 176.094 0.087 0.000 1.034 158 V CA -0.945 61.421 62.300 0.110 0.000 0.865 158 V CB 1.813 33.638 31.823 0.002 0.000 0.995 158 V HN 0.450 nan 8.190 nan 0.000 0.424 159 L N 6.316 127.596 121.223 0.095 0.000 2.341 159 L HA 0.694 5.034 4.340 0.001 0.000 0.278 159 L C -0.657 176.258 176.870 0.074 0.000 1.005 159 L CA -0.172 54.716 54.840 0.081 0.000 0.818 159 L CB 1.482 43.581 42.059 0.067 0.000 1.259 159 L HN 0.566 nan 8.230 nan 0.000 0.418 160 I N 5.540 126.163 120.570 0.090 0.000 2.336 160 I HA 0.387 4.558 4.170 0.001 0.000 0.292 160 I C -0.594 175.563 176.117 0.067 0.000 0.991 160 I CA -0.913 60.437 61.300 0.084 0.000 1.227 160 I CB 1.747 39.825 38.000 0.129 0.000 1.366 160 I HN 0.252 nan 8.210 nan 0.000 0.466 161 V N 5.149 125.092 119.914 0.050 0.000 2.370 161 V HA 0.264 4.385 4.120 0.001 0.000 0.279 161 V C 0.180 176.304 176.094 0.050 0.000 1.029 161 V CA -0.276 62.051 62.300 0.046 0.000 0.870 161 V CB 1.365 33.210 31.823 0.037 0.000 0.984 161 V HN 0.778 nan 8.190 nan 0.000 0.451 162 S N 2.858 118.590 115.700 0.054 0.000 2.498 162 S HA 0.298 4.769 4.470 0.001 0.000 0.317 162 S C 0.880 175.516 174.600 0.060 0.000 1.090 162 S CA -0.569 57.667 58.200 0.060 0.000 1.089 162 S CB 1.486 64.728 63.200 0.070 0.000 0.997 162 S HN 0.900 nan 8.310 nan 0.000 0.470 163 E N 3.259 123.496 120.200 0.061 0.000 2.077 163 E HA -0.153 4.197 4.350 0.001 0.000 0.193 163 E C 0.010 176.652 176.600 0.070 0.000 0.989 163 E CA 0.823 57.260 56.400 0.062 0.000 0.800 163 E CB 0.006 29.743 29.700 0.062 0.000 0.746 163 E HN 0.721 nan 8.360 nan 0.000 0.452 164 D N 0.191 120.642 120.400 0.084 0.000 2.506 164 D HA -0.056 4.585 4.640 0.001 0.000 0.234 164 D C -1.855 174.506 176.300 0.101 0.000 1.143 164 D CA -0.880 53.188 54.000 0.113 0.000 0.871 164 D CB 1.147 42.045 40.800 0.163 0.000 1.190 164 D HN 0.143 nan 8.370 nan 0.000 0.459 165 P HA 0.066 nan 4.420 nan 0.000 0.249 165 P C -0.096 177.258 177.300 0.090 0.000 1.229 165 P CA 0.456 63.600 63.100 0.074 0.000 0.788 165 P CB 0.509 32.243 31.700 0.057 0.000 1.072 166 E N -0.079 120.216 120.200 0.158 0.000 2.222 166 E HA 0.322 4.672 4.350 0.001 0.000 0.272 166 E C 0.191 176.929 176.600 0.230 0.000 0.982 166 E CA -0.986 55.549 56.400 0.226 0.000 0.842 166 E CB 1.212 31.122 29.700 0.350 0.000 1.144 166 E HN 0.076 nan 8.360 nan 0.000 0.397 167 L N 2.571 123.919 121.223 0.209 0.000 2.426 167 L HA 0.176 4.516 4.340 0.001 0.000 0.271 167 L C -2.017 175.088 176.870 0.392 0.000 1.169 167 L CA -1.691 53.223 54.840 0.124 0.000 0.836 167 L CB -0.089 41.881 42.059 -0.148 0.000 1.112 167 L HN 0.141 nan 8.230 nan 0.000 0.465 168 P HA -0.097 nan 4.420 nan 0.000 0.251 168 P C -1.460 176.063 177.300 0.371 0.000 1.154 168 P CA 0.597 63.868 63.100 0.285 0.000 0.805 168 P CB -0.276 31.612 31.700 0.313 0.000 0.759 169 Y N 2.237 122.614 120.300 0.129 0.000 2.487 169 Y HA 0.663 5.214 4.550 0.001 0.000 0.337 169 Y C 0.419 176.209 175.900 -0.183 0.000 1.076 169 Y CA -1.883 56.106 58.100 -0.186 0.000 1.115 169 Y CB 0.982 39.216 38.460 -0.377 0.000 1.235 169 Y HN 0.199 nan 8.280 nan 0.000 0.468 170 M N 1.911 121.294 119.600 -0.362 0.000 2.274 170 M HA 0.550 5.030 4.480 0.001 0.000 0.344 170 M C -0.297 176.000 176.300 -0.004 0.000 1.161 170 M CA -0.437 54.756 55.300 -0.179 0.000 1.126 170 M CB 2.100 34.520 32.600 -0.301 0.000 1.522 170 M HN 0.905 nan 8.290 nan 0.000 0.461 171 R N 0.831 121.370 120.500 0.065 0.000 2.105 171 R HA 0.154 4.494 4.340 0.001 0.000 0.214 171 R C -0.949 175.333 176.300 -0.029 0.000 1.091 171 R CA 0.436 56.571 56.100 0.060 0.000 1.007 171 R CB -1.539 28.816 30.300 0.093 0.000 0.912 171 R HN 0.564 nan 8.270 nan 0.000 0.450 172 P HA -0.196 nan 4.420 nan 0.000 0.221 172 P C -1.536 175.665 177.300 -0.165 0.000 1.160 172 P CA 2.057 65.069 63.100 -0.147 0.000 0.933 172 P CB -1.050 30.562 31.700 -0.148 0.000 0.793 173 P HA -0.166 nan 4.420 nan 0.000 0.217 173 P C 1.504 178.583 177.300 -0.370 0.000 1.148 173 P CA 1.258 64.009 63.100 -0.582 0.000 0.834 173 P CB -0.641 30.470 31.700 -0.981 0.000 0.783 174 L N -0.926 120.161 121.223 -0.226 0.000 2.131 174 L HA -0.154 4.186 4.340 0.001 0.000 0.210 174 L C 2.196 179.269 176.870 0.338 0.000 1.092 174 L CA 2.057 56.819 54.840 -0.130 0.000 0.759 174 L CB -0.854 41.181 42.059 -0.039 0.000 0.903 174 L HN 0.156 nan 8.230 nan 0.000 0.435 175 S N -2.427 113.489 115.700 0.360 0.000 2.511 175 S HA 0.151 4.621 4.470 0.001 0.000 0.214 175 S C 0.913 175.771 174.600 0.429 0.000 0.997 175 S CA -0.421 58.054 58.200 0.459 0.000 0.908 175 S CB 0.437 63.837 63.200 0.333 0.000 0.803 175 S HN 0.308 nan 8.310 nan 0.000 0.504 176 K N 0.935 121.531 120.400 0.327 0.000 1.932 176 K HA 0.472 4.792 4.320 0.001 0.000 0.262 176 K C 0.698 177.502 176.600 0.339 0.000 0.987 176 K CA -0.551 55.975 56.287 0.399 0.000 1.217 176 K CB 0.009 32.649 32.500 0.233 0.000 2.659 176 K HN -0.109 nan 8.250 nan 0.000 0.982 177 E N 1.110 121.273 120.200 -0.062 0.000 2.628 177 E HA -0.319 4.031 4.350 0.001 0.000 0.255 177 E C 1.533 178.174 176.600 0.068 0.000 1.118 177 E CA 2.115 58.322 56.400 -0.322 0.000 1.303 177 E CB -0.582 28.667 29.700 -0.752 0.000 1.142 177 E HN 0.318 nan 8.360 nan 0.000 0.450 178 L N -1.171 119.982 121.223 -0.118 0.000 2.353 178 L HA -0.157 4.184 4.340 0.001 0.000 0.220 178 L C 1.508 178.285 176.870 -0.156 0.000 1.133 178 L CA 0.863 55.555 54.840 -0.247 0.000 0.798 178 L CB -0.179 41.429 42.059 -0.752 0.000 0.922 178 L HN 0.345 nan 8.230 nan 0.000 0.445 179 W N -1.799 119.555 121.300 0.091 0.000 3.077 179 W HA 0.043 4.703 4.660 0.001 0.000 0.266 179 W C 0.337 176.679 176.519 -0.294 0.000 1.300 179 W CA -0.467 56.824 57.345 -0.090 0.000 1.586 179 W CB 0.171 29.479 29.460 -0.253 0.000 1.103 179 W HN -0.068 nan 8.180 nan 0.000 0.652 180 F N 1.030 121.176 119.950 0.327 0.000 2.387 180 F HA 0.455 4.983 4.527 0.001 0.000 0.332 180 F C 0.310 176.230 175.800 0.200 0.000 1.174 180 F CA -0.559 57.622 58.000 0.301 0.000 1.257 180 F CB 0.414 39.696 39.000 0.470 0.000 1.569 180 F HN -0.407 nan 8.300 nan 0.000 0.554 181 S N 0.496 116.340 115.700 0.240 0.000 2.584 181 S HA 0.208 4.679 4.470 0.001 0.000 0.282 181 S C -0.125 174.541 174.600 0.111 0.000 1.138 181 S CA -0.612 57.684 58.200 0.160 0.000 0.987 181 S CB 0.743 64.017 63.200 0.122 0.000 1.137 181 S HN 0.354 nan 8.310 nan 0.000 0.457 182 D N 1.739 122.198 120.400 0.098 0.000 2.323 182 D HA 0.067 4.707 4.640 0.001 0.000 0.209 182 D C 0.291 176.620 176.300 0.049 0.000 0.973 182 D CA 0.494 54.537 54.000 0.072 0.000 0.874 182 D CB 0.210 41.052 40.800 0.070 0.000 0.930 182 D HN 0.620 nan 8.370 nan 0.000 0.521 183 D N 0.612 121.039 120.400 0.046 0.000 2.344 183 D HA 0.007 4.647 4.640 0.001 0.000 0.253 183 D C -1.748 174.565 176.300 0.022 0.000 1.255 183 D CA -1.569 52.449 54.000 0.030 0.000 0.894 183 D CB 1.642 42.458 40.800 0.026 0.000 1.067 183 D HN -0.015 nan 8.370 nan 0.000 0.492 184 P HA -0.071 nan 4.420 nan 0.000 0.230 184 P C 0.604 177.904 177.300 -0.001 0.000 1.158 184 P CA 0.485 63.586 63.100 0.002 0.000 0.769 184 P CB 0.255 31.954 31.700 -0.002 0.000 0.807 185 N N -0.889 117.813 118.700 0.004 0.000 2.457 185 N HA -0.061 4.680 4.740 0.001 0.000 0.180 185 N C 1.562 177.077 175.510 0.009 0.000 1.050 185 N CA 0.530 53.582 53.050 0.003 0.000 0.906 185 N CB -1.290 37.198 38.487 0.002 0.000 0.968 185 N HN 0.060 nan 8.380 nan 0.000 0.445 186 V N 0.954 120.876 119.914 0.014 0.000 2.343 186 V HA -0.223 3.897 4.120 0.001 0.000 0.247 186 V C 2.561 178.681 176.094 0.042 0.000 1.051 186 V CA 2.103 64.416 62.300 0.022 0.000 1.036 186 V CB -0.934 30.907 31.823 0.029 0.000 0.654 186 V HN 0.376 nan 8.190 nan 0.000 0.451 187 T N -0.936 113.647 114.554 0.047 0.000 2.833 187 T HA -0.204 4.146 4.350 0.001 0.000 0.269 187 T C 1.913 176.642 174.700 0.050 0.000 1.054 187 T CA 1.558 63.704 62.100 0.077 0.000 1.135 187 T CB -0.127 68.711 68.868 -0.051 0.000 0.869 187 T HN 0.479 nan 8.240 nan 0.000 0.466 188 K N 0.151 120.562 120.400 0.018 0.000 2.076 188 K HA -0.008 4.312 4.320 0.001 0.000 0.204 188 K C 2.620 179.237 176.600 0.027 0.000 1.051 188 K CA 1.737 58.032 56.287 0.012 0.000 0.949 188 K CB -0.293 32.208 32.500 0.002 0.000 0.726 188 K HN 0.537 nan 8.250 nan 0.000 0.443 189 T N -1.242 113.329 114.554 0.028 0.000 3.031 189 T HA 0.036 4.387 4.350 0.001 0.000 0.254 189 T C 0.640 175.369 174.700 0.049 0.000 1.060 189 T CA -0.126 61.998 62.100 0.039 0.000 1.135 189 T CB 0.056 68.937 68.868 0.021 0.000 0.896 189 T HN 0.026 nan 8.240 nan 0.000 0.472 190 L N 1.080 122.311 121.223 0.013 0.000 3.548 190 L HA -0.088 4.252 4.340 0.001 0.000 0.443 190 L C -0.542 176.314 176.870 -0.023 0.000 1.286 190 L CA 0.388 55.206 54.840 -0.037 0.000 0.863 190 L CB -2.445 39.532 42.059 -0.137 0.000 1.734 190 L HN 0.512 nan 8.230 nan 0.000 0.873 191 Q N 0.673 120.455 119.800 -0.030 0.000 2.563 191 Q HA 0.438 4.778 4.340 0.001 0.000 0.232 191 Q C 0.185 176.114 176.000 -0.118 0.000 1.106 191 Q CA -0.213 55.524 55.803 -0.109 0.000 0.913 191 Q CB 0.369 29.055 28.738 -0.086 0.000 1.175 191 Q HN 0.412 nan 8.270 nan 0.000 0.540 192 F N -0.141 119.730 119.950 -0.132 0.000 2.382 192 F HA 0.504 5.032 4.527 0.001 0.000 0.331 192 F C 0.389 176.112 175.800 -0.128 0.000 1.121 192 F CA -0.989 56.922 58.000 -0.147 0.000 1.183 192 F CB 0.818 39.690 39.000 -0.214 0.000 1.207 192 F HN -0.010 nan 8.300 nan 0.000 0.555 193 R N 3.422 123.987 120.500 0.108 0.000 2.298 193 R HA 0.174 4.514 4.340 0.001 0.000 0.310 193 R C -0.139 176.223 176.300 0.104 0.000 1.068 193 R CA -0.374 55.748 56.100 0.036 0.000 0.957 193 R CB 1.088 31.429 30.300 0.068 0.000 1.003 193 R HN 0.856 nan 8.270 nan 0.000 0.454 194 Q N 1.063 120.868 119.800 0.009 0.000 2.584 194 Q HA -0.049 4.291 4.340 0.001 0.000 0.218 194 Q C 0.950 176.916 176.000 -0.057 0.000 1.079 194 Q CA 0.180 55.945 55.803 -0.064 0.000 1.008 194 Q CB 0.553 29.269 28.738 -0.037 0.000 1.267 194 Q HN 0.623 nan 8.270 nan 0.000 0.586 195 W N 0.697 122.020 121.300 0.039 0.000 2.374 195 W HA -0.184 4.476 4.660 0.001 0.000 0.288 195 W C 1.946 178.455 176.519 -0.017 0.000 1.218 195 W CA 0.629 57.965 57.345 -0.015 0.000 1.245 195 W CB -0.150 29.268 29.460 -0.070 0.000 1.126 195 W HN 0.715 nan 8.180 nan 0.000 0.545 196 N N -0.132 118.674 118.700 0.177 0.000 2.446 196 N HA 0.084 4.824 4.740 0.001 0.000 0.179 196 N C 1.457 177.004 175.510 0.063 0.000 1.054 196 N CA 1.697 54.801 53.050 0.091 0.000 0.905 196 N CB -0.243 38.270 38.487 0.043 0.000 0.973 196 N HN 0.267 nan 8.380 nan 0.000 0.448 197 G N 0.579 109.413 108.800 0.057 0.000 2.981 197 G HA2 -0.258 3.703 3.960 0.001 0.000 0.198 197 G HA3 -0.258 3.703 3.960 0.001 0.000 0.198 197 G C -0.384 174.505 174.900 -0.018 0.000 1.806 197 G CA -0.115 45.004 45.100 0.032 0.000 1.374 197 G HN 0.469 nan 8.290 nan 0.000 0.555 198 K N 2.548 122.928 120.400 -0.033 0.000 2.378 198 K HA -0.087 4.234 4.320 0.001 0.000 0.250 198 K C 0.392 176.909 176.600 -0.139 0.000 1.125 198 K CA 0.846 57.090 56.287 -0.072 0.000 1.192 198 K CB -0.113 32.348 32.500 -0.065 0.000 0.751 198 K HN 0.583 nan 8.250 nan 0.000 0.502 199 E N 2.429 122.532 120.200 -0.162 0.000 2.418 199 E HA 0.015 4.365 4.350 0.001 0.000 0.261 199 E C 0.061 176.421 176.600 -0.400 0.000 1.070 199 E CA 0.340 56.578 56.400 -0.269 0.000 0.931 199 E CB 0.849 30.433 29.700 -0.194 0.000 0.954 199 E HN 0.431 nan 8.360 nan 0.000 0.439 200 R N 0.263 120.331 120.500 -0.720 0.000 2.734 200 R HA 0.252 4.592 4.340 0.001 0.000 0.271 200 R C -1.519 174.344 176.300 -0.727 0.000 1.021 200 R CA -0.508 55.166 56.100 -0.710 0.000 0.893 200 R CB 1.881 31.758 30.300 -0.706 0.000 1.244 200 R HN 0.434 nan 8.270 nan 0.000 0.464 201 S N 2.387 117.880 115.700 -0.345 0.000 2.457 201 S HA 0.219 4.689 4.470 0.001 0.000 0.289 201 S C 1.221 175.781 174.600 -0.068 0.000 1.163 201 S CA -0.777 57.339 58.200 -0.140 0.000 1.078 201 S CB 0.738 63.943 63.200 0.008 0.000 0.987 201 S HN 0.682 nan 8.310 nan 0.000 0.482 202 I N 4.492 125.024 120.570 -0.063 0.000 2.502 202 I HA -0.117 4.054 4.170 0.001 0.000 0.258 202 I C -0.491 175.426 176.117 -0.334 0.000 1.172 202 I CA 1.010 62.207 61.300 -0.172 0.000 1.430 202 I CB 0.009 37.779 38.000 -0.383 0.000 1.086 202 I HN 0.663 nan 8.210 nan 0.000 0.440 203 Y N -0.488 119.767 120.300 -0.074 0.000 2.304 203 Y HA 0.117 4.667 4.550 0.001 0.000 0.328 203 Y C 0.822 176.631 175.900 -0.152 0.000 1.123 203 Y CA -0.528 57.522 58.100 -0.084 0.000 1.218 203 Y CB 0.306 38.763 38.460 -0.006 0.000 1.207 203 Y HN -0.082 nan 8.280 nan 0.000 0.495 204 F N 0.131 120.065 119.950 -0.026 0.000 2.161 204 F HA -0.168 4.359 4.527 0.001 0.000 0.300 204 F C 1.012 176.659 175.800 -0.255 0.000 1.089 204 F CA 1.486 59.331 58.000 -0.259 0.000 1.282 204 F CB 0.060 38.529 39.000 -0.884 0.000 1.010 204 F HN 0.411 nan 8.300 nan 0.000 0.485 205 Q N -1.272 118.516 119.800 -0.021 0.000 2.418 205 Q HA 0.314 4.654 4.340 0.001 0.000 0.282 205 Q C -2.545 173.517 176.000 0.103 0.000 1.044 205 Q CA -2.044 53.730 55.803 -0.048 0.000 0.813 205 Q CB 1.765 30.291 28.738 -0.353 0.000 1.428 205 Q HN -0.185 nan 8.270 nan 0.000 0.402 206 P HA -0.010 nan 4.420 nan 0.000 0.267 206 P C -1.879 175.546 177.300 0.209 0.000 1.201 206 P CA -0.600 62.554 63.100 0.091 0.000 0.775 206 P CB 0.052 31.796 31.700 0.073 0.000 0.854 207 P HA -0.222 nan 4.420 nan 0.000 0.213 207 P C 1.532 179.019 177.300 0.311 0.000 1.170 207 P CA 1.956 65.142 63.100 0.144 0.000 0.902 207 P CB -0.442 31.234 31.700 -0.041 0.000 0.789 208 S N -0.873 114.938 115.700 0.185 0.000 2.441 208 S HA -0.262 4.208 4.470 0.001 0.000 0.242 208 S C 1.819 176.536 174.600 0.196 0.000 1.018 208 S CA 1.141 59.434 58.200 0.154 0.000 0.988 208 S CB -1.925 61.332 63.200 0.095 0.000 0.778 208 S HN 0.120 nan 8.310 nan 0.000 0.498 209 F N 2.307 122.330 119.950 0.121 0.000 2.154 209 F HA 0.011 4.539 4.527 0.001 0.000 0.301 209 F C 0.852 176.636 175.800 -0.028 0.000 1.087 209 F CA 0.204 58.211 58.000 0.012 0.000 1.274 209 F CB -0.550 38.402 39.000 -0.079 0.000 1.009 209 F HN 0.207 nan 8.300 nan 0.000 0.485 210 Y N -0.330 119.879 120.300 -0.151 0.000 2.289 210 Y HA 0.401 4.951 4.550 0.001 0.000 0.332 210 Y C 0.563 176.356 175.900 -0.179 0.000 1.324 210 Y CA -0.588 57.353 58.100 -0.265 0.000 1.478 210 Y CB 0.266 38.694 38.460 -0.053 0.000 1.378 210 Y HN -0.108 nan 8.280 nan 0.000 0.558 211 V N -1.414 118.521 119.914 0.035 0.000 3.019 211 V HA 0.669 4.789 4.120 0.001 0.000 0.317 211 V C -0.223 175.899 176.094 0.047 0.000 1.094 211 V CA -1.046 61.263 62.300 0.015 0.000 1.000 211 V CB 1.496 33.303 31.823 -0.028 0.000 1.060 211 V HN 0.782 nan 8.190 nan 0.000 0.443 212 S N 2.400 118.116 115.700 0.028 0.000 2.565 212 S HA 0.589 5.060 4.470 0.001 0.000 0.276 212 S C 1.361 175.978 174.600 0.028 0.000 1.326 212 S CA 0.077 58.291 58.200 0.024 0.000 1.045 212 S CB 1.099 64.308 63.200 0.015 0.000 0.918 212 S HN 2.010 nan 8.310 nan 0.000 0.505 213 A N 2.865 125.703 122.820 0.030 0.000 1.881 213 A HA -0.265 4.055 4.320 0.001 0.000 0.219 213 A C 2.261 179.863 177.584 0.031 0.000 1.215 213 A CA 2.469 54.527 52.037 0.034 0.000 0.648 213 A CB -1.673 17.346 19.000 0.032 0.000 0.832 213 A HN 1.006 nan 8.150 nan 0.000 0.455 214 Q N -0.487 119.328 119.800 0.025 0.000 2.029 214 Q HA -0.253 4.088 4.340 0.001 0.000 0.209 214 Q C 1.533 177.547 176.000 0.023 0.000 0.999 214 Q CA 2.497 58.314 55.803 0.023 0.000 0.857 214 Q CB -0.315 28.433 28.738 0.018 0.000 0.926 214 Q HN 0.668 nan 8.270 nan 0.000 0.415 215 D N -0.424 119.988 120.400 0.020 0.000 2.219 215 D HA -0.120 4.521 4.640 0.001 0.000 0.205 215 D C 1.856 178.168 176.300 0.019 0.000 0.970 215 D CA 0.613 54.623 54.000 0.017 0.000 0.851 215 D CB -0.219 40.588 40.800 0.012 0.000 0.943 215 D HN 0.245 nan 8.370 nan 0.000 0.488 216 L N 1.680 122.917 121.223 0.024 0.000 1.991 216 L HA -0.199 4.142 4.340 0.001 0.000 0.221 216 L C -0.938 175.952 176.870 0.033 0.000 1.079 216 L CA 2.342 57.199 54.840 0.028 0.000 0.778 216 L CB -1.635 40.447 42.059 0.038 0.000 0.893 216 L HN -0.016 nan 8.230 nan 0.000 0.437 217 P HA -0.179 nan 4.420 nan 0.000 0.217 217 P C 0.037 177.356 177.300 0.032 0.000 1.151 217 P CA 1.690 64.816 63.100 0.044 0.000 0.849 217 P CB -0.291 31.436 31.700 0.045 0.000 0.787 218 N N 0.362 119.076 118.700 0.024 0.000 3.052 218 N HA 0.123 4.863 4.740 0.001 0.000 0.302 218 N C -0.439 175.079 175.510 0.012 0.000 1.332 218 N CA 0.195 53.255 53.050 0.017 0.000 1.129 218 N CB 0.210 38.705 38.487 0.014 0.000 1.436 218 N HN 0.148 nan 8.380 nan 0.000 0.536 219 I N 0.338 120.916 120.570 0.013 0.000 2.531 219 I HA 0.144 4.315 4.170 0.001 0.000 0.283 219 I C 1.202 177.324 176.117 0.008 0.000 1.083 219 I CA -0.443 60.861 61.300 0.006 0.000 1.071 219 I CB 1.865 39.864 38.000 -0.001 0.000 1.210 219 I HN 0.037 nan 8.210 nan 0.000 0.450 220 E N 2.937 123.140 120.200 0.006 0.000 2.065 220 E HA -0.263 4.087 4.350 0.001 0.000 0.201 220 E C 1.374 177.978 176.600 0.005 0.000 1.016 220 E CA 1.739 58.143 56.400 0.006 0.000 0.818 220 E CB 0.272 29.974 29.700 0.003 0.000 0.749 220 E HN 0.590 nan 8.360 nan 0.000 0.453 221 N N 0.250 118.948 118.700 -0.003 0.000 2.166 221 N HA -0.110 4.631 4.740 0.001 0.000 0.186 221 N C 0.907 176.411 175.510 -0.010 0.000 1.019 221 N CA 1.300 54.344 53.050 -0.009 0.000 0.856 221 N CB -0.035 38.440 38.487 -0.020 0.000 0.993 221 N HN 0.257 nan 8.380 nan 0.000 0.426 222 G N -1.673 107.123 108.800 -0.007 0.000 2.752 222 G HA2 0.121 4.081 3.960 0.001 0.000 0.234 222 G HA3 0.121 4.081 3.960 0.001 0.000 0.234 222 G C 0.140 175.012 174.900 -0.046 0.000 1.367 222 G CA 0.081 45.177 45.100 -0.008 0.000 0.879 222 G HN 0.842 nan 8.290 nan 0.000 0.563 223 G N -3.275 105.490 108.800 -0.058 0.000 2.441 223 G HA2 0.630 4.591 3.960 0.001 0.000 0.225 223 G HA3 0.630 4.591 3.960 0.001 0.000 0.225 223 G C -1.365 173.461 174.900 -0.123 0.000 1.200 223 G CA 0.671 45.691 45.100 -0.134 0.000 0.947 223 G HN 1.872 nan 8.290 nan 0.000 0.484 224 V N 0.733 120.533 119.914 -0.190 0.000 2.540 224 V HA 0.821 4.942 4.120 0.001 0.000 0.302 224 V C 0.230 176.367 176.094 0.071 0.000 1.035 224 V CA -0.019 62.238 62.300 -0.070 0.000 0.873 224 V CB 1.018 32.772 31.823 -0.114 0.000 0.992 224 V HN 1.633 nan 8.190 nan 0.000 0.428 225 A N 3.593 126.493 122.820 0.132 0.000 2.401 225 A HA 0.926 5.246 4.320 0.001 0.000 0.310 225 A C -1.156 176.520 177.584 0.152 0.000 1.075 225 A CA -0.744 51.381 52.037 0.147 0.000 0.746 225 A CB 2.197 21.244 19.000 0.079 0.000 1.277 225 A HN 1.243 nan 8.150 nan 0.000 0.425 226 V N 3.489 123.462 119.914 0.099 0.000 2.577 226 V HA 0.533 4.653 4.120 0.001 0.000 0.303 226 V C -1.236 174.871 176.094 0.022 0.000 1.042 226 V CA -0.696 61.640 62.300 0.059 0.000 0.872 226 V CB 1.499 33.339 31.823 0.029 0.000 0.998 226 V HN 0.853 nan 8.190 nan 0.000 0.423 227 L N 7.621 128.865 121.223 0.035 0.000 2.315 227 L HA 0.416 4.756 4.340 0.001 0.000 0.278 227 L C 0.672 177.559 176.870 0.028 0.000 1.088 227 L CA -0.116 54.741 54.840 0.028 0.000 0.899 227 L CB 1.274 43.354 42.059 0.035 0.000 1.277 227 L HN 0.986 nan 8.230 nan 0.000 0.431 228 T N -0.584 113.980 114.554 0.017 0.000 2.926 228 T HA 0.327 4.677 4.350 0.001 0.000 0.307 228 T C 1.140 175.861 174.700 0.034 0.000 1.059 228 T CA 0.233 62.349 62.100 0.028 0.000 1.122 228 T CB 1.362 70.240 68.868 0.016 0.000 0.972 228 T HN 0.857 nan 8.240 nan 0.000 0.545 229 G N 1.499 110.326 108.800 0.045 0.000 2.221 229 G HA2 -0.180 3.781 3.960 0.001 0.000 0.265 229 G HA3 -0.180 3.781 3.960 0.001 0.000 0.265 229 G C -0.136 174.789 174.900 0.042 0.000 1.041 229 G CA -0.094 45.033 45.100 0.044 0.000 0.807 229 G HN 0.812 nan 8.290 nan 0.000 0.502 230 K N -0.307 120.119 120.400 0.045 0.000 2.468 230 K HA 0.510 4.831 4.320 0.001 0.000 0.252 230 K C -0.354 176.275 176.600 0.048 0.000 0.932 230 K CA -0.825 55.489 56.287 0.044 0.000 0.794 230 K CB 2.340 34.865 32.500 0.042 0.000 1.241 230 K HN 0.268 nan 8.250 nan 0.000 0.428 231 K N 1.874 122.304 120.400 0.050 0.000 2.221 231 K HA 0.396 4.716 4.320 0.001 0.000 0.258 231 K C -0.692 175.941 176.600 0.056 0.000 0.944 231 K CA -0.696 55.623 56.287 0.053 0.000 0.823 231 K CB 1.541 34.074 32.500 0.054 0.000 1.113 231 K HN 0.249 nan 8.250 nan 0.000 0.431 232 V N 4.824 124.771 119.914 0.055 0.000 2.498 232 V HA 0.090 4.210 4.120 0.001 0.000 0.279 232 V C 0.933 177.070 176.094 0.071 0.000 1.048 232 V CA -0.277 62.058 62.300 0.058 0.000 0.967 232 V CB 1.135 32.983 31.823 0.041 0.000 0.988 232 V HN 0.777 nan 8.190 nan 0.000 0.473 233 V N 0.964 120.931 119.914 0.089 0.000 3.548 233 V HA 0.423 4.543 4.120 0.001 0.000 0.279 233 V C 0.218 176.409 176.094 0.161 0.000 1.446 233 V CA 0.339 62.703 62.300 0.106 0.000 1.023 233 V CB -0.277 31.601 31.823 0.091 0.000 0.820 233 V HN 0.910 nan 8.190 nan 0.000 0.438 234 H N 0.474 119.576 119.070 0.055 0.000 2.865 234 H HA 0.724 5.280 4.556 0.001 0.000 0.362 234 H C -1.597 173.772 175.328 0.068 0.000 1.114 234 H CA -0.751 55.331 56.048 0.057 0.000 1.208 234 H CB 2.006 31.797 29.762 0.049 0.000 1.727 234 H HN 0.284 nan 8.280 nan 0.000 0.534 235 L N 4.641 125.527 121.223 -0.563 0.000 2.345 235 L HA 0.387 4.728 4.340 0.001 0.000 0.274 235 L C -1.103 175.468 176.870 -0.498 0.000 0.999 235 L CA -0.303 54.321 54.840 -0.359 0.000 0.849 235 L CB 1.374 43.351 42.059 -0.137 0.000 1.220 235 L HN 0.758 nan 8.230 nan 0.000 0.422 236 D N 4.253 124.471 120.400 -0.302 0.000 2.479 236 D HA 0.127 4.767 4.640 0.001 0.000 0.218 236 D C 1.092 177.394 176.300 0.004 0.000 1.131 236 D CA -0.046 53.895 54.000 -0.098 0.000 0.916 236 D CB 1.436 42.295 40.800 0.097 0.000 1.022 236 D HN 0.516 nan 8.370 nan 0.000 0.515 237 V N 4.871 124.789 119.914 0.007 0.000 2.287 237 V HA -0.240 3.881 4.120 0.001 0.000 0.248 237 V C 2.602 178.699 176.094 0.005 0.000 1.053 237 V CA 1.296 63.622 62.300 0.043 0.000 1.027 237 V CB -0.330 31.503 31.823 0.018 0.000 0.646 237 V HN 0.532 nan 8.190 nan 0.000 0.447 238 R N 0.442 120.941 120.500 -0.003 0.000 2.120 238 R HA -0.074 4.266 4.340 0.001 0.000 0.234 238 R C 2.183 178.458 176.300 -0.040 0.000 1.123 238 R CA 1.478 57.569 56.100 -0.016 0.000 0.975 238 R CB -0.789 29.512 30.300 0.000 0.000 0.866 238 R HN 0.593 nan 8.270 nan 0.000 0.446 239 G N 0.483 109.258 108.800 -0.042 0.000 3.042 239 G HA2 -0.091 3.870 3.960 0.001 0.000 0.212 239 G HA3 -0.091 3.870 3.960 0.001 0.000 0.212 239 G C 0.068 174.861 174.900 -0.178 0.000 1.166 239 G CA -0.394 44.664 45.100 -0.069 0.000 0.767 239 G HN 0.207 nan 8.290 nan 0.000 0.546 240 N N -0.250 118.289 118.700 -0.268 0.000 2.698 240 N HA -0.160 4.580 4.740 0.001 0.000 0.258 240 N C 0.062 174.994 175.510 -0.965 0.000 0.978 240 N CA 1.713 54.303 53.050 -0.767 0.000 0.777 240 N CB -0.965 37.035 38.487 -0.811 0.000 0.907 240 N HN 0.698 nan 8.380 nan 0.000 0.543 241 M N -3.400 116.027 119.600 -0.288 0.000 2.813 241 M HA 0.766 5.246 4.480 0.001 0.000 0.270 241 M C -0.630 175.790 176.300 0.200 0.000 1.267 241 M CA -1.076 54.228 55.300 0.006 0.000 0.822 241 M CB 1.827 34.417 32.600 -0.018 0.000 1.671 241 M HN -0.106 nan 8.290 nan 0.000 0.468 242 V N -2.241 117.790 119.914 0.194 0.000 3.158 242 V HA 0.854 4.974 4.120 0.001 0.000 0.311 242 V C -1.038 175.147 176.094 0.152 0.000 1.181 242 V CA -0.867 61.523 62.300 0.151 0.000 1.054 242 V CB 2.185 34.080 31.823 0.120 0.000 1.085 242 V HN 1.003 nan 8.190 nan 0.000 0.446 243 K N 0.692 121.187 120.400 0.159 0.000 2.385 243 K HA 0.782 5.102 4.320 0.001 0.000 0.248 243 K C -1.348 175.316 176.600 0.106 0.000 0.955 243 K CA -0.670 55.699 56.287 0.137 0.000 0.816 243 K CB 2.474 35.071 32.500 0.161 0.000 1.250 243 K HN 0.635 nan 8.250 nan 0.000 0.434 244 L N 1.020 122.292 121.223 0.082 0.000 2.299 244 L HA 0.290 4.631 4.340 0.001 0.000 0.268 244 L C 1.303 178.209 176.870 0.061 0.000 1.012 244 L CA -0.650 54.231 54.840 0.068 0.000 0.816 244 L CB 1.209 43.303 42.059 0.057 0.000 1.355 244 L HN 0.770 nan 8.230 nan 0.000 0.457 245 N N -0.905 117.827 118.700 0.054 0.000 2.309 245 N HA -0.216 4.524 4.740 0.001 0.000 0.182 245 N C 0.875 176.409 175.510 0.040 0.000 1.018 245 N CA 1.434 54.512 53.050 0.047 0.000 0.876 245 N CB -0.256 38.258 38.487 0.045 0.000 0.972 245 N HN 0.698 nan 8.380 nan 0.000 0.434 246 D N -2.014 118.409 120.400 0.039 0.000 2.249 246 D HA 0.134 4.775 4.640 0.001 0.000 0.205 246 D C 1.443 177.762 176.300 0.032 0.000 0.962 246 D CA 0.922 54.942 54.000 0.033 0.000 0.860 246 D CB -0.310 40.509 40.800 0.031 0.000 0.955 246 D HN 0.387 nan 8.370 nan 0.000 0.505 247 G N -0.449 108.373 108.800 0.038 0.000 2.205 247 G HA2 -0.182 3.778 3.960 0.001 0.000 0.180 247 G HA3 -0.182 3.778 3.960 0.001 0.000 0.180 247 G C 0.276 175.200 174.900 0.040 0.000 1.004 247 G CA 0.076 45.197 45.100 0.036 0.000 0.670 247 G HN 0.721 nan 8.290 nan 0.000 0.496 248 S N -0.069 115.656 115.700 0.043 0.000 2.593 248 S HA 0.671 5.141 4.470 0.001 0.000 0.269 248 S C -0.098 174.536 174.600 0.057 0.000 1.334 248 S CA -0.193 58.034 58.200 0.046 0.000 1.015 248 S CB 1.823 65.049 63.200 0.044 0.000 0.912 248 S HN 0.453 nan 8.310 nan 0.000 0.541 249 Q N 0.626 120.461 119.800 0.058 0.000 2.333 249 Q HA 0.587 4.927 4.340 0.001 0.000 0.267 249 Q C -1.174 174.869 176.000 0.072 0.000 1.012 249 Q CA -0.415 55.430 55.803 0.070 0.000 0.824 249 Q CB 1.867 30.644 28.738 0.064 0.000 1.290 249 Q HN 0.674 nan 8.270 nan 0.000 0.449 250 I N 1.664 122.285 120.570 0.085 0.000 2.406 250 I HA 0.295 4.465 4.170 0.001 0.000 0.290 250 I C 0.183 176.357 176.117 0.094 0.000 0.999 250 I CA -0.669 60.682 61.300 0.084 0.000 1.124 250 I CB 2.020 40.071 38.000 0.085 0.000 1.289 250 I HN 0.544 nan 8.210 nan 0.000 0.441 251 T N 3.071 117.651 114.554 0.043 0.000 2.907 251 T HA 0.742 5.093 4.350 0.001 0.000 0.284 251 T C -0.496 174.097 174.700 -0.178 0.000 1.004 251 T CA -0.511 61.561 62.100 -0.048 0.000 1.063 251 T CB 1.189 70.075 68.868 0.029 0.000 0.992 251 T HN 0.393 nan 8.240 nan 0.000 0.483 252 F N -0.412 119.412 119.950 -0.211 0.000 2.640 252 F HA 0.778 5.305 4.527 0.000 0.000 0.324 252 F C 0.651 176.326 175.800 -0.208 0.000 1.077 252 F CA -1.474 56.344 58.000 -0.304 0.000 0.965 252 F CB 1.387 40.291 39.000 -0.160 0.000 1.351 252 F HN 0.552 nan 8.300 nan 0.000 0.487 253 E N -0.253 119.969 120.200 0.037 0.000 2.206 253 E HA 0.216 4.567 4.350 0.001 0.000 0.195 253 E C -0.480 176.267 176.600 0.245 0.000 0.935 253 E CA 0.303 56.724 56.400 0.035 0.000 0.875 253 E CB 0.383 30.039 29.700 -0.074 0.000 0.841 253 E HN 0.299 nan 8.360 nan 0.000 0.477 254 K N 0.180 120.717 120.400 0.228 0.000 2.422 254 K HA 0.434 4.754 4.320 0.001 0.000 0.251 254 K C -1.252 175.405 176.600 0.095 0.000 0.933 254 K CA -0.623 55.827 56.287 0.272 0.000 0.798 254 K CB 2.343 34.910 32.500 0.112 0.000 1.238 254 K HN 0.025 nan 8.250 nan 0.000 0.428 255 C N 2.853 122.163 119.300 0.016 0.000 2.712 255 C HA 0.713 5.174 4.460 0.001 0.000 0.308 255 C C -1.410 173.577 174.990 -0.005 0.000 1.201 255 C CA -0.771 58.045 59.018 -0.337 0.000 1.554 255 C CB 0.866 28.039 27.740 -0.945 0.000 2.117 255 C HN 0.795 nan 8.230 nan 0.000 0.480 256 L N 5.864 127.044 121.223 -0.071 0.000 2.385 256 L HA 0.735 5.075 4.340 0.001 0.000 0.273 256 L C -1.023 175.794 176.870 -0.088 0.000 0.990 256 L CA -0.184 54.648 54.840 -0.014 0.000 0.821 256 L CB 1.490 43.544 42.059 -0.007 0.000 1.279 256 L HN 0.667 nan 8.230 nan 0.000 0.412 257 I N 5.489 125.990 120.570 -0.114 0.000 2.307 257 I HA 0.558 4.728 4.170 0.001 0.000 0.289 257 I C 0.355 176.431 176.117 -0.069 0.000 1.021 257 I CA -0.021 61.184 61.300 -0.157 0.000 1.224 257 I CB 1.641 39.411 38.000 -0.383 0.000 1.376 257 I HN 0.819 nan 8.210 nan 0.000 0.470 258 A N 3.488 126.300 122.820 -0.013 0.000 2.795 258 A HA 0.216 4.537 4.320 0.001 0.000 0.282 258 A C 1.076 178.696 177.584 0.061 0.000 0.964 258 A CA -0.269 51.785 52.037 0.028 0.000 1.045 258 A CB -0.448 18.557 19.000 0.010 0.000 1.174 258 A HN 0.698 nan 8.150 nan 0.000 0.493 259 T N -2.938 111.671 114.554 0.092 0.000 3.215 259 T HA 0.396 4.746 4.350 0.001 0.000 0.254 259 T C 1.412 176.178 174.700 0.110 0.000 1.149 259 T CA 0.901 63.064 62.100 0.106 0.000 1.042 259 T CB -0.519 68.438 68.868 0.147 0.000 0.966 259 T HN 1.755 nan 8.240 nan 0.000 0.534 260 G N 0.841 109.708 108.800 0.112 0.000 2.602 260 G HA2 0.151 4.111 3.960 0.001 0.000 0.306 260 G HA3 0.151 4.111 3.960 0.001 0.000 0.306 260 G C 0.169 175.128 174.900 0.098 0.000 1.301 260 G CA -0.116 45.045 45.100 0.102 0.000 0.974 260 G HN 1.379 nan 8.290 nan 0.000 0.547 261 G N -2.973 105.875 108.800 0.080 0.000 2.708 261 G HA2 0.726 4.686 3.960 0.001 0.000 0.289 261 G HA3 0.726 4.686 3.960 0.001 0.000 0.289 261 G C -0.969 173.968 174.900 0.062 0.000 1.416 261 G CA 0.655 45.795 45.100 0.066 0.000 0.829 261 G HN 1.114 nan 8.290 nan 0.000 0.480 262 T N 2.471 117.056 114.554 0.052 0.000 2.794 262 T HA 0.577 4.927 4.350 0.001 0.000 0.280 262 T C -2.592 172.140 174.700 0.053 0.000 0.987 262 T CA -0.900 61.231 62.100 0.052 0.000 0.993 262 T CB 1.909 70.804 68.868 0.044 0.000 0.939 262 T HN 0.239 nan 8.240 nan 0.000 0.449 263 P HA 0.185 nan 4.420 nan 0.000 0.268 263 P C 0.048 177.381 177.300 0.054 0.000 1.204 263 P CA -0.348 62.794 63.100 0.070 0.000 0.768 263 P CB 0.526 32.283 31.700 0.095 0.000 0.842 264 R N 1.601 122.128 120.500 0.045 0.000 2.643 264 R HA 0.222 4.562 4.340 0.001 0.000 0.270 264 R C 1.233 177.554 176.300 0.034 0.000 1.061 264 R CA 0.172 56.291 56.100 0.031 0.000 1.107 264 R CB 0.443 30.755 30.300 0.020 0.000 0.999 264 R HN 0.641 nan 8.270 nan 0.000 0.460 265 S N 2.552 118.268 115.700 0.027 0.000 2.337 265 S HA 0.424 4.894 4.470 0.001 0.000 0.258 265 S C -0.333 174.276 174.600 0.016 0.000 1.178 265 S CA -0.686 57.529 58.200 0.024 0.000 1.023 265 S CB 0.514 63.726 63.200 0.021 0.000 1.136 265 S HN 0.378 nan 8.310 nan 0.000 0.458 266 L N 0.705 121.934 121.223 0.010 0.000 2.409 266 L HA 0.467 4.808 4.340 0.001 0.000 0.272 266 L C 1.245 178.116 176.870 0.002 0.000 0.980 266 L CA -0.077 54.766 54.840 0.005 0.000 0.826 266 L CB 2.016 44.076 42.059 0.002 0.000 1.268 266 L HN 0.897 nan 8.230 nan 0.000 0.407 267 S N 3.030 118.730 115.700 0.000 0.000 2.390 267 S HA -0.300 4.171 4.470 0.001 0.000 0.234 267 S C 1.844 176.443 174.600 -0.003 0.000 1.063 267 S CA 2.454 60.653 58.200 -0.002 0.000 1.108 267 S CB -0.083 63.115 63.200 -0.004 0.000 0.975 267 S HN 0.844 nan 8.310 nan 0.000 0.442 268 A N 0.949 123.767 122.820 -0.004 0.000 1.933 268 A HA 0.069 4.390 4.320 0.001 0.000 0.218 268 A C 2.075 179.656 177.584 -0.006 0.000 1.175 268 A CA 1.510 53.543 52.037 -0.006 0.000 0.628 268 A CB -0.697 18.297 19.000 -0.009 0.000 0.814 268 A HN 0.684 nan 8.150 nan 0.000 0.444 269 I N -0.335 120.232 120.570 -0.005 0.000 3.334 269 I HA -0.111 4.059 4.170 0.001 0.000 0.282 269 I C 1.249 177.365 176.117 -0.000 0.000 1.313 269 I CA 0.629 61.926 61.300 -0.006 0.000 1.396 269 I CB -0.242 37.753 38.000 -0.008 0.000 1.054 269 I HN 0.279 nan 8.210 nan 0.000 0.495 270 D N 0.959 121.360 120.400 0.001 0.000 2.259 270 D HA 0.010 4.650 4.640 0.001 0.000 0.216 270 D C 2.146 178.447 176.300 0.002 0.000 0.961 270 D CA 0.659 54.661 54.000 0.003 0.000 0.878 270 D CB 0.151 40.953 40.800 0.004 0.000 1.009 270 D HN 0.255 nan 8.370 nan 0.000 0.490 271 R N 0.819 121.319 120.500 0.000 0.000 2.280 271 R HA 0.134 4.474 4.340 0.001 0.000 0.207 271 R C 0.837 177.137 176.300 -0.001 0.000 1.043 271 R CA -0.048 56.052 56.100 -0.001 0.000 1.006 271 R CB 0.208 30.506 30.300 -0.002 0.000 0.885 271 R HN -0.015 nan 8.270 nan 0.000 0.467 272 A N 0.903 123.722 122.820 -0.002 0.000 2.407 272 A HA 0.429 4.749 4.320 0.001 0.000 0.248 272 A C 0.558 178.142 177.584 0.000 0.000 1.082 272 A CA -0.077 51.958 52.037 -0.003 0.000 0.785 272 A CB 0.312 19.308 19.000 -0.006 0.000 1.020 272 A HN 0.289 nan 8.150 nan 0.000 0.489 273 G N -0.379 108.421 108.800 0.001 0.000 2.670 273 G HA2 0.387 4.347 3.960 0.001 0.000 0.233 273 G HA3 0.387 4.347 3.960 0.001 0.000 0.233 273 G C 1.104 176.008 174.900 0.006 0.000 1.251 273 G CA 0.224 45.326 45.100 0.003 0.000 0.849 273 G HN 1.541 nan 8.290 nan 0.000 0.588 274 A N 0.189 123.014 122.820 0.009 0.000 2.066 274 A HA 0.010 4.330 4.320 0.001 0.000 0.218 274 A C 2.117 179.710 177.584 0.015 0.000 1.157 274 A CA 1.663 53.708 52.037 0.012 0.000 0.670 274 A CB -0.265 18.743 19.000 0.014 0.000 0.804 274 A HN 0.710 nan 8.150 nan 0.000 0.453 275 E N -0.108 120.099 120.200 0.013 0.000 2.038 275 E HA -0.174 4.177 4.350 0.001 0.000 0.195 275 E C 2.219 178.829 176.600 0.016 0.000 1.000 275 E CA 1.871 58.280 56.400 0.015 0.000 0.803 275 E CB -0.367 29.340 29.700 0.011 0.000 0.750 275 E HN 0.481 nan 8.360 nan 0.000 0.448 276 V N 0.499 120.418 119.914 0.008 0.000 2.379 276 V HA -0.156 3.964 4.120 0.001 0.000 0.245 276 V C 2.362 178.453 176.094 -0.004 0.000 1.044 276 V CA 2.160 64.460 62.300 -0.000 0.000 1.036 276 V CB -0.310 31.509 31.823 -0.008 0.000 0.664 276 V HN 0.140 nan 8.190 nan 0.000 0.453 277 K N 1.021 121.422 120.400 0.002 0.000 2.103 277 K HA -0.162 4.158 4.320 0.001 0.000 0.207 277 K C 2.065 178.674 176.600 0.016 0.000 1.048 277 K CA 1.913 58.202 56.287 0.005 0.000 0.930 277 K CB -0.336 32.170 32.500 0.010 0.000 0.716 277 K HN 0.762 nan 8.250 nan 0.000 0.444 278 S N -0.339 115.378 115.700 0.027 0.000 2.650 278 S HA 0.041 4.511 4.470 0.001 0.000 0.219 278 S C 1.284 175.931 174.600 0.079 0.000 0.960 278 S CA 0.067 58.296 58.200 0.048 0.000 0.925 278 S CB 0.208 63.434 63.200 0.044 0.000 0.775 278 S HN 0.222 nan 8.310 nan 0.000 0.525 279 R N 0.707 121.240 120.500 0.055 0.000 2.596 279 R HA 0.226 4.567 4.340 0.001 0.000 0.369 279 R C -0.728 175.447 176.300 -0.208 0.000 1.042 279 R CA 0.048 56.198 56.100 0.083 0.000 1.120 279 R CB 0.682 31.035 30.300 0.088 0.000 1.353 279 R HN 0.311 nan 8.270 nan 0.000 0.564 280 T N 0.791 115.267 114.554 -0.129 0.000 2.859 280 T HA 0.298 4.649 4.350 0.001 0.000 0.281 280 T C -0.153 174.538 174.700 -0.015 0.000 1.005 280 T CA -0.393 61.600 62.100 -0.178 0.000 1.025 280 T CB 1.910 70.731 68.868 -0.079 0.000 0.977 280 T HN 0.108 nan 8.240 nan 0.000 0.458 281 T N 1.073 115.653 114.554 0.044 0.000 2.881 281 T HA 0.571 4.922 4.350 0.001 0.000 0.291 281 T C -0.302 174.503 174.700 0.176 0.000 0.990 281 T CA -0.935 61.271 62.100 0.176 0.000 0.976 281 T CB 0.264 69.328 68.868 0.328 0.000 0.970 281 T HN 0.414 nan 8.240 nan 0.000 0.438 282 L N 3.497 124.810 121.223 0.151 0.000 2.369 282 L HA 0.404 4.744 4.340 0.001 0.000 0.279 282 L C -0.157 176.846 176.870 0.222 0.000 1.108 282 L CA -0.813 54.124 54.840 0.162 0.000 0.852 282 L CB -0.006 42.118 42.059 0.110 0.000 1.169 282 L HN 0.625 nan 8.230 nan 0.000 0.452 283 F N 4.726 124.744 119.950 0.113 0.000 2.390 283 F HA 0.325 4.853 4.527 0.001 0.000 0.361 283 F C 0.918 176.804 175.800 0.144 0.000 1.124 283 F CA 0.202 58.289 58.000 0.146 0.000 1.149 283 F CB 0.291 39.386 39.000 0.159 0.000 1.160 283 F HN 0.522 nan 8.300 nan 0.000 0.501 284 R N 3.171 123.558 120.500 -0.188 0.000 2.834 284 R HA 0.159 4.500 4.340 0.001 0.000 0.129 284 R C 0.051 176.287 176.300 -0.106 0.000 0.870 284 R CA -0.124 55.923 56.100 -0.089 0.000 1.989 284 R CB 0.366 30.691 30.300 0.040 0.000 1.647 284 R HN 0.488 nan 8.270 nan 0.000 0.512 285 K N 0.449 120.792 120.400 -0.096 0.000 2.399 285 K HA 0.325 4.646 4.320 0.001 0.000 0.247 285 K C 1.199 177.765 176.600 -0.056 0.000 1.036 285 K CA -0.440 55.879 56.287 0.053 0.000 0.977 285 K CB 0.722 33.272 32.500 0.084 0.000 1.272 285 K HN -0.056 nan 8.250 nan 0.000 0.501 286 I N 0.677 121.179 120.570 -0.113 0.000 2.193 286 I HA -0.176 3.994 4.170 0.001 0.000 0.240 286 I C 2.210 178.283 176.117 -0.074 0.000 1.084 286 I CA 1.485 62.623 61.300 -0.270 0.000 1.365 286 I CB -0.543 37.118 38.000 -0.566 0.000 1.064 286 I HN 0.912 nan 8.210 nan 0.000 0.410 287 G N 0.766 109.535 108.800 -0.052 0.000 2.556 287 G HA2 -0.324 3.636 3.960 0.001 0.000 0.220 287 G HA3 -0.324 3.636 3.960 0.001 0.000 0.220 287 G C 1.261 176.155 174.900 -0.010 0.000 1.156 287 G CA 1.364 46.453 45.100 -0.018 0.000 0.766 287 G HN 0.317 nan 8.290 nan 0.000 0.583 288 D N -0.069 120.314 120.400 -0.028 0.000 2.123 288 D HA -0.131 4.510 4.640 0.001 0.000 0.196 288 D C 2.012 178.358 176.300 0.077 0.000 0.992 288 D CA 0.960 54.946 54.000 -0.023 0.000 0.833 288 D CB -0.412 40.280 40.800 -0.180 0.000 0.954 288 D HN 0.418 nan 8.370 nan 0.000 0.455 289 F N 1.912 121.780 119.950 -0.138 0.000 2.075 289 F HA -0.172 4.356 4.527 0.001 0.000 0.297 289 F C 2.463 178.300 175.800 0.063 0.000 1.113 289 F CA 1.399 59.465 58.000 0.109 0.000 1.218 289 F CB 0.031 38.990 39.000 -0.070 0.000 0.984 289 F HN -0.231 nan 8.300 nan 0.000 0.472 290 R N 0.529 120.808 120.500 -0.369 0.000 2.073 290 R HA -0.163 4.177 4.340 0.001 0.000 0.234 290 R C 2.528 178.673 176.300 -0.258 0.000 1.134 290 R CA 1.297 57.123 56.100 -0.456 0.000 0.952 290 R CB -1.047 29.129 30.300 -0.206 0.000 0.850 290 R HN 0.465 nan 8.270 nan 0.000 0.433 291 A N 1.077 123.838 122.820 -0.099 0.000 1.917 291 A HA -0.203 4.117 4.320 0.001 0.000 0.219 291 A C 2.069 179.639 177.584 -0.023 0.000 1.182 291 A CA 1.363 53.379 52.037 -0.035 0.000 0.633 291 A CB -0.462 18.558 19.000 0.032 0.000 0.819 291 A HN 0.200 nan 8.150 nan 0.000 0.448 292 L N -0.671 120.599 121.223 0.077 0.000 2.095 292 L HA -0.038 4.303 4.340 0.001 0.000 0.204 292 L C 2.379 179.334 176.870 0.142 0.000 1.080 292 L CA 1.912 56.851 54.840 0.165 0.000 0.759 292 L CB -0.556 41.756 42.059 0.421 0.000 0.914 292 L HN 0.437 nan 8.230 nan 0.000 0.439 293 E N 0.143 120.348 120.200 0.009 0.000 2.085 293 E HA -0.257 4.094 4.350 0.001 0.000 0.194 293 E C 1.974 178.536 176.600 -0.063 0.000 0.994 293 E CA 1.244 57.593 56.400 -0.086 0.000 0.801 293 E CB 0.042 29.355 29.700 -0.645 0.000 0.743 293 E HN 0.468 nan 8.360 nan 0.000 0.453 294 K N -0.045 120.283 120.400 -0.119 0.000 2.442 294 K HA -0.060 4.261 4.320 0.001 0.000 0.198 294 K C 2.088 178.648 176.600 -0.067 0.000 1.044 294 K CA 0.560 56.793 56.287 -0.090 0.000 0.948 294 K CB 0.062 32.503 32.500 -0.097 0.000 0.762 294 K HN 0.254 nan 8.250 nan 0.000 0.472 295 I N 0.501 121.030 120.570 -0.068 0.000 3.035 295 I HA -0.169 4.001 4.170 0.001 0.000 0.271 295 I C 2.310 178.409 176.117 -0.030 0.000 1.190 295 I CA 0.522 61.770 61.300 -0.086 0.000 1.472 295 I CB -0.024 37.856 38.000 -0.201 0.000 1.116 295 I HN 0.090 nan 8.210 nan 0.000 0.443 296 S N 1.294 117.007 115.700 0.021 0.000 2.423 296 S HA -0.104 4.366 4.470 0.001 0.000 0.231 296 S C 1.689 176.308 174.600 0.032 0.000 1.014 296 S CA 0.646 58.876 58.200 0.049 0.000 0.965 296 S CB -0.328 62.970 63.200 0.163 0.000 0.785 296 S HN 0.428 nan 8.310 nan 0.000 0.495 297 R N 0.329 120.841 120.500 0.019 0.000 2.609 297 R HA 0.453 4.794 4.340 0.001 0.000 0.326 297 R C 1.214 177.512 176.300 -0.004 0.000 1.090 297 R CA 0.028 56.133 56.100 0.009 0.000 1.072 297 R CB 0.167 30.471 30.300 0.006 0.000 1.330 297 R HN 0.590 nan 8.270 nan 0.000 0.572 298 E N 0.136 120.331 120.200 -0.009 0.000 3.312 298 E HA 0.050 4.400 4.350 0.001 0.000 0.178 298 E C 0.288 176.882 176.600 -0.010 0.000 1.204 298 E CA 0.036 56.428 56.400 -0.015 0.000 1.335 298 E CB 0.665 30.348 29.700 -0.028 0.000 1.680 298 E HN 0.074 nan 8.360 nan 0.000 0.503 299 V N 0.263 120.170 119.914 -0.011 0.000 3.295 299 V HA 0.292 4.412 4.120 0.001 0.000 0.308 299 V C 0.663 176.757 176.094 0.001 0.000 1.068 299 V CA -0.367 61.932 62.300 -0.002 0.000 1.062 299 V CB 1.243 33.069 31.823 0.006 0.000 1.162 299 V HN 0.222 nan 8.190 nan 0.000 0.456 300 K N 0.141 120.543 120.400 0.003 0.000 2.361 300 K HA 0.261 4.582 4.320 0.001 0.000 0.196 300 K C 0.638 177.237 176.600 -0.000 0.000 1.039 300 K CA 0.799 57.086 56.287 0.001 0.000 1.001 300 K CB 0.464 32.965 32.500 0.001 0.000 0.795 300 K HN 0.671 nan 8.250 nan 0.000 0.495 301 S N 0.318 116.021 115.700 0.006 0.000 2.536 301 S HA 0.576 5.046 4.470 0.001 0.000 0.271 301 S C -1.404 173.207 174.600 0.018 0.000 1.134 301 S CA -0.835 57.368 58.200 0.004 0.000 0.897 301 S CB 0.955 64.157 63.200 0.002 0.000 1.094 301 S HN 0.078 nan 8.310 nan 0.000 0.473 302 I N 2.159 122.732 120.570 0.006 0.000 2.934 302 I HA 0.540 4.710 4.170 0.001 0.000 0.306 302 I C -0.497 175.617 176.117 -0.005 0.000 1.110 302 I CA -0.655 60.657 61.300 0.021 0.000 1.019 302 I CB 2.796 40.802 38.000 0.011 0.000 1.227 302 I HN 0.471 nan 8.210 nan 0.000 0.434 303 T N 3.201 117.754 114.554 -0.002 0.000 2.912 303 T HA 0.545 4.895 4.350 0.001 0.000 0.299 303 T C -0.992 173.694 174.700 -0.023 0.000 1.052 303 T CA -0.463 61.624 62.100 -0.021 0.000 0.996 303 T CB 2.217 71.069 68.868 -0.026 0.000 1.070 303 T HN 0.228 nan 8.240 nan 0.000 0.465 304 V N 4.323 124.225 119.914 -0.020 0.000 2.380 304 V HA 0.437 4.558 4.120 0.001 0.000 0.286 304 V C -0.158 175.949 176.094 0.021 0.000 1.015 304 V CA -0.839 61.455 62.300 -0.010 0.000 0.834 304 V CB 1.037 32.846 31.823 -0.023 0.000 1.009 304 V HN 0.810 nan 8.190 nan 0.000 0.428 305 I N 4.256 124.838 120.570 0.019 0.000 2.278 305 I HA 0.686 4.857 4.170 0.001 0.000 0.296 305 I C 0.849 177.001 176.117 0.058 0.000 1.121 305 I CA 0.236 61.560 61.300 0.041 0.000 1.267 305 I CB 0.483 38.495 38.000 0.021 0.000 1.447 305 I HN 0.771 nan 8.210 nan 0.000 0.509 306 G N 3.274 112.133 108.800 0.098 0.000 2.174 306 G HA2 0.356 4.316 3.960 0.001 0.000 0.312 306 G HA3 0.356 4.316 3.960 0.001 0.000 0.312 306 G C 0.108 175.002 174.900 -0.010 0.000 1.663 306 G CA -0.259 44.868 45.100 0.045 0.000 0.920 306 G HN 0.603 nan 8.290 nan 0.000 0.664 307 G N 1.008 109.714 108.800 -0.157 0.000 2.439 307 G HA2 0.422 4.382 3.960 0.001 0.000 0.212 307 G HA3 0.422 4.382 3.960 0.001 0.000 0.212 307 G C 1.432 176.029 174.900 -0.505 0.000 1.199 307 G CA 1.305 46.070 45.100 -0.558 0.000 0.807 307 G HN 1.232 nan 8.290 nan 0.000 0.537 308 G N 0.009 108.593 108.800 -0.360 0.000 2.224 308 G HA2 0.150 4.111 3.960 0.001 0.000 0.357 308 G HA3 0.150 4.111 3.960 0.001 0.000 0.357 308 G C 0.870 175.524 174.900 -0.411 0.000 1.436 308 G CA 0.199 45.044 45.100 -0.425 0.000 1.070 308 G HN 0.157 nan 8.290 nan 0.000 0.556 309 F N -0.959 118.942 119.950 -0.081 0.000 2.149 309 F HA 0.072 4.599 4.527 0.000 0.000 0.294 309 F C 2.489 178.318 175.800 0.048 0.000 1.095 309 F CA 0.640 58.646 58.000 0.011 0.000 1.276 309 F CB -0.539 38.544 39.000 0.138 0.000 1.023 309 F HN 0.188 nan 8.300 nan 0.000 0.480 310 L N 0.839 122.201 121.223 0.231 0.000 1.963 310 L HA -0.192 4.148 4.340 0.001 0.000 0.220 310 L C 2.551 179.463 176.870 0.071 0.000 1.076 310 L CA 2.376 57.316 54.840 0.168 0.000 0.772 310 L CB -1.479 40.680 42.059 0.168 0.000 0.892 310 L HN 0.191 nan 8.230 nan 0.000 0.435 311 G N -1.912 106.900 108.800 0.019 0.000 2.529 311 G HA2 -0.319 3.642 3.960 0.001 0.000 0.219 311 G HA3 -0.319 3.642 3.960 0.001 0.000 0.219 311 G C 1.567 176.452 174.900 -0.025 0.000 1.177 311 G CA 1.151 46.237 45.100 -0.023 0.000 0.773 311 G HN 0.511 nan 8.290 nan 0.000 0.573 312 S N 0.253 115.943 115.700 -0.017 0.000 2.453 312 S HA 0.018 4.488 4.470 0.001 0.000 0.231 312 S C 2.068 176.719 174.600 0.085 0.000 1.005 312 S CA 0.987 59.196 58.200 0.014 0.000 0.949 312 S CB -0.030 63.152 63.200 -0.030 0.000 0.774 312 S HN 0.581 nan 8.310 nan 0.000 0.510 313 E N 1.249 121.520 120.200 0.120 0.000 2.047 313 E HA -0.052 4.298 4.350 0.001 0.000 0.191 313 E C 1.955 178.576 176.600 0.035 0.000 0.987 313 E CA 0.838 57.330 56.400 0.154 0.000 0.799 313 E CB -0.235 29.581 29.700 0.194 0.000 0.752 313 E HN 0.398 nan 8.360 nan 0.000 0.449 314 L N 0.794 121.962 121.223 -0.091 0.000 2.012 314 L HA -0.226 4.114 4.340 0.001 0.000 0.210 314 L C 2.668 179.379 176.870 -0.265 0.000 1.073 314 L CA 0.989 55.648 54.840 -0.302 0.000 0.748 314 L CB -0.679 41.156 42.059 -0.373 0.000 0.891 314 L HN 0.154 nan 8.230 nan 0.000 0.431 315 A N -0.103 122.636 122.820 -0.135 0.000 1.870 315 A HA -0.345 3.975 4.320 0.001 0.000 0.219 315 A C 2.449 179.986 177.584 -0.078 0.000 1.224 315 A CA 2.470 54.454 52.037 -0.089 0.000 0.650 315 A CB -1.473 17.515 19.000 -0.020 0.000 0.836 315 A HN 0.583 nan 8.150 nan 0.000 0.454 316 C N -1.198 118.103 119.300 0.001 0.000 2.398 316 C HA -0.005 4.455 4.460 0.001 0.000 0.276 316 C C 3.327 178.330 174.990 0.021 0.000 1.222 316 C CA 0.955 60.017 59.018 0.073 0.000 1.746 316 C CB -1.710 26.149 27.740 0.199 0.000 2.039 316 C HN 0.743 nan 8.230 nan 0.000 0.470 317 A N 0.530 123.301 122.820 -0.081 0.000 1.859 317 A HA -0.192 4.129 4.320 0.001 0.000 0.217 317 A C 2.147 179.457 177.584 -0.457 0.000 1.198 317 A CA 1.956 53.757 52.037 -0.394 0.000 0.629 317 A CB -0.822 17.730 19.000 -0.748 0.000 0.830 317 A HN 0.616 nan 8.150 nan 0.000 0.446 318 L N -0.767 120.160 121.223 -0.493 0.000 2.012 318 L HA -0.162 4.178 4.340 0.001 0.000 0.210 318 L C 2.847 179.609 176.870 -0.179 0.000 1.073 318 L CA 1.217 55.840 54.840 -0.361 0.000 0.748 318 L CB -0.833 41.030 42.059 -0.327 0.000 0.891 318 L HN 0.523 nan 8.230 nan 0.000 0.431 319 G N -0.630 108.094 108.800 -0.127 0.000 2.462 319 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 319 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 319 G C 1.725 176.608 174.900 -0.027 0.000 1.121 319 G CA 0.369 45.435 45.100 -0.056 0.000 0.758 319 G HN 0.167 nan 8.290 nan 0.000 0.559 320 R N 0.305 120.785 120.500 -0.034 0.000 2.055 320 R HA 0.127 4.468 4.340 0.001 0.000 0.226 320 R C 2.328 178.619 176.300 -0.015 0.000 1.135 320 R CA 0.427 56.528 56.100 0.002 0.000 0.959 320 R CB -0.751 29.558 30.300 0.015 0.000 0.854 320 R HN 0.130 nan 8.270 nan 0.000 0.431 321 K N 0.969 121.338 120.400 -0.052 0.000 2.362 321 K HA -0.075 4.245 4.320 0.001 0.000 0.202 321 K C 1.895 178.493 176.600 -0.004 0.000 1.045 321 K CA 0.912 57.197 56.287 -0.003 0.000 0.936 321 K CB -0.134 32.381 32.500 0.026 0.000 0.747 321 K HN 0.056 nan 8.250 nan 0.000 0.467 322 S N 0.279 115.966 115.700 -0.023 0.000 2.446 322 S HA -0.033 4.437 4.470 0.001 0.000 0.225 322 S C 1.571 176.169 174.600 -0.002 0.000 1.016 322 S CA 0.501 58.691 58.200 -0.017 0.000 0.943 322 S CB 0.168 63.350 63.200 -0.029 0.000 0.786 322 S HN 0.324 nan 8.310 nan 0.000 0.508 323 Q N 0.115 119.918 119.800 0.006 0.000 2.436 323 Q HA 0.150 4.491 4.340 0.001 0.000 0.209 323 Q C 1.970 177.981 176.000 0.018 0.000 0.965 323 Q CA 1.000 56.811 55.803 0.014 0.000 0.910 323 Q CB -0.076 28.677 28.738 0.025 0.000 0.980 323 Q HN 0.661 nan 8.270 nan 0.000 0.491 324 A N 0.168 123.000 122.820 0.019 0.000 1.920 324 A HA -0.039 4.281 4.320 0.001 0.000 0.209 324 A C 2.070 179.662 177.584 0.015 0.000 1.229 324 A CA 0.920 52.969 52.037 0.021 0.000 0.671 324 A CB -0.139 18.878 19.000 0.028 0.000 0.886 324 A HN 0.341 nan 8.150 nan 0.000 0.461 325 S N -1.499 114.207 115.700 0.011 0.000 2.501 325 S HA 0.367 4.838 4.470 0.001 0.000 0.220 325 S C 1.352 175.954 174.600 0.003 0.000 0.997 325 S CA 1.032 59.236 58.200 0.008 0.000 0.919 325 S CB -0.293 62.912 63.200 0.008 0.000 0.778 325 S HN 1.944 nan 8.310 nan 0.000 0.523 326 G N 1.381 110.182 108.800 0.001 0.000 2.272 326 G HA2 -0.248 3.713 3.960 0.001 0.000 0.280 326 G HA3 -0.248 3.713 3.960 0.001 0.000 0.280 326 G C -0.210 174.687 174.900 -0.006 0.000 1.067 326 G CA 0.389 45.488 45.100 -0.002 0.000 0.902 326 G HN 0.686 nan 8.290 nan 0.000 0.500 327 I N -0.340 120.224 120.570 -0.009 0.000 2.488 327 I HA 0.436 4.606 4.170 0.001 0.000 0.299 327 I C 0.615 176.721 176.117 -0.018 0.000 0.984 327 I CA -0.939 60.354 61.300 -0.012 0.000 1.250 327 I CB 1.081 39.073 38.000 -0.014 0.000 1.389 327 I HN 0.235 nan 8.210 nan 0.000 0.488 328 E N 6.110 126.300 120.200 -0.016 0.000 2.223 328 E HA 0.282 4.633 4.350 0.001 0.000 0.282 328 E C -1.581 175.003 176.600 -0.026 0.000 1.046 328 E CA -0.388 56.000 56.400 -0.020 0.000 0.857 328 E CB 1.045 30.736 29.700 -0.016 0.000 1.055 328 E HN 0.376 nan 8.360 nan 0.000 0.409 329 V N 7.244 127.138 119.914 -0.033 0.000 2.376 329 V HA 0.363 4.484 4.120 0.001 0.000 0.287 329 V C -0.132 175.939 176.094 -0.039 0.000 1.015 329 V CA -0.563 61.710 62.300 -0.044 0.000 0.834 329 V CB 1.166 32.953 31.823 -0.061 0.000 1.001 329 V HN 0.617 nan 8.190 nan 0.000 0.428 330 I N 4.088 124.636 120.570 -0.038 0.000 2.493 330 I HA 0.524 4.694 4.170 0.001 0.000 0.298 330 I C -0.128 175.969 176.117 -0.033 0.000 0.998 330 I CA -0.379 60.897 61.300 -0.040 0.000 1.137 330 I CB 1.939 39.912 38.000 -0.044 0.000 1.310 330 I HN 0.565 nan 8.210 nan 0.000 0.445 331 Q N 7.447 127.229 119.800 -0.029 0.000 2.397 331 Q HA 0.481 4.821 4.340 0.001 0.000 0.260 331 Q C -1.699 174.274 176.000 -0.046 0.000 1.002 331 Q CA -0.623 55.192 55.803 0.020 0.000 0.716 331 Q CB 1.500 30.294 28.738 0.093 0.000 1.258 331 Q HN 0.683 nan 8.270 nan 0.000 0.477 332 L N 1.729 122.915 121.223 -0.061 0.000 2.329 332 L HA 0.885 5.225 4.340 0.001 0.000 0.279 332 L C -1.288 175.534 176.870 -0.079 0.000 1.014 332 L CA -0.816 53.890 54.840 -0.223 0.000 0.814 332 L CB 0.860 42.821 42.059 -0.162 0.000 1.257 332 L HN 0.488 nan 8.230 nan 0.000 0.424 333 F N 1.007 120.930 119.950 -0.044 0.000 2.686 333 F HA 0.667 5.194 4.527 0.001 0.000 0.311 333 F C -2.547 173.227 175.800 -0.044 0.000 1.128 333 F CA -1.990 55.982 58.000 -0.047 0.000 0.946 333 F CB 0.495 39.461 39.000 -0.058 0.000 1.336 333 F HN 0.189 nan 8.300 nan 0.000 0.457 334 P HA 0.067 nan 4.420 nan 0.000 0.231 334 P C -0.319 177.066 177.300 0.141 0.000 1.168 334 P CA 0.917 64.079 63.100 0.103 0.000 0.779 334 P CB 0.293 32.029 31.700 0.059 0.000 0.844 335 E N 0.067 120.430 120.200 0.272 0.000 2.349 335 E HA 0.157 4.508 4.350 0.001 0.000 0.262 335 E C 1.272 178.026 176.600 0.257 0.000 1.088 335 E CA -0.271 56.237 56.400 0.180 0.000 0.899 335 E CB 0.506 30.226 29.700 0.034 0.000 1.044 335 E HN -0.060 nan 8.360 nan 0.000 0.420 336 K N 0.478 120.954 120.400 0.127 0.000 2.442 336 K HA 0.046 4.366 4.320 0.001 0.000 0.198 336 K C 0.533 177.242 176.600 0.182 0.000 1.042 336 K CA 0.749 57.103 56.287 0.112 0.000 0.958 336 K CB 0.073 32.598 32.500 0.042 0.000 0.766 336 K HN 0.548 nan 8.250 nan 0.000 0.474 337 G N 0.387 109.306 108.800 0.198 0.000 2.608 337 G HA2 0.131 4.091 3.960 0.001 0.000 0.291 337 G HA3 0.131 4.091 3.960 0.001 0.000 0.291 337 G C -1.561 173.176 174.900 -0.273 0.000 1.425 337 G CA -0.944 44.230 45.100 0.124 0.000 0.787 337 G HN -0.085 nan 8.290 nan 0.000 0.484 338 N N 0.434 118.965 118.700 -0.283 0.000 2.427 338 N HA 0.329 5.070 4.740 0.001 0.000 0.269 338 N C 0.690 175.913 175.510 -0.480 0.000 1.235 338 N CA 0.186 52.937 53.050 -0.498 0.000 0.934 338 N CB 0.595 38.937 38.487 -0.242 0.000 1.121 338 N HN 0.574 nan 8.380 nan 0.000 0.480 339 M N -0.537 118.697 119.600 -0.610 0.000 2.879 339 M HA -0.161 4.319 4.480 0.001 0.000 0.210 339 M C 1.219 177.286 176.300 -0.389 0.000 0.550 339 M CA 0.929 55.869 55.300 -0.600 0.000 0.732 339 M CB -1.778 30.300 32.600 -0.869 0.000 2.662 339 M HN 0.594 nan 8.290 nan 0.000 0.516 340 G N -0.207 108.396 108.800 -0.329 0.000 2.535 340 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 340 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 340 G C 1.418 176.226 174.900 -0.154 0.000 1.122 340 G CA 0.990 45.968 45.100 -0.203 0.000 0.769 340 G HN 0.571 nan 8.290 nan 0.000 0.549 341 K N -0.544 119.752 120.400 -0.172 0.000 2.305 341 K HA 0.149 4.469 4.320 0.001 0.000 0.199 341 K C 1.822 178.360 176.600 -0.104 0.000 1.047 341 K CA 0.242 56.456 56.287 -0.120 0.000 0.976 341 K CB 0.094 32.521 32.500 -0.121 0.000 0.765 341 K HN 0.250 nan 8.250 nan 0.000 0.474 342 I N 0.545 121.030 120.570 -0.140 0.000 2.962 342 I HA 0.039 4.209 4.170 0.001 0.000 0.246 342 I C 1.061 177.161 176.117 -0.028 0.000 1.091 342 I CA 0.310 61.556 61.300 -0.090 0.000 1.469 342 I CB -0.758 37.177 38.000 -0.108 0.000 1.324 342 I HN -0.021 nan 8.210 nan 0.000 0.461 343 L N 2.699 123.854 121.223 -0.113 0.000 2.456 343 L HA 0.158 4.498 4.340 0.001 0.000 0.272 343 L C -2.046 174.718 176.870 -0.177 0.000 1.189 343 L CA -1.417 53.356 54.840 -0.112 0.000 0.846 343 L CB -0.294 41.655 42.059 -0.184 0.000 1.111 343 L HN -0.084 nan 8.230 nan 0.000 0.475 344 P HA -0.074 nan 4.420 nan 0.000 0.267 344 P C 0.402 177.362 177.300 -0.566 0.000 1.201 344 P CA -0.102 62.700 63.100 -0.496 0.000 0.775 344 P CB 0.425 31.611 31.700 -0.856 0.000 0.854 345 Q N 1.740 121.286 119.800 -0.424 0.000 2.045 345 Q HA -0.268 4.073 4.340 0.001 0.000 0.215 345 Q C 1.972 177.840 176.000 -0.219 0.000 1.026 345 Q CA 2.564 58.224 55.803 -0.237 0.000 0.885 345 Q CB -0.864 27.816 28.738 -0.097 0.000 0.984 345 Q HN 0.663 nan 8.270 nan 0.000 0.414 346 Y N -1.077 119.179 120.300 -0.072 0.000 2.200 346 Y HA -0.142 4.408 4.550 0.001 0.000 0.290 346 Y C 2.214 178.079 175.900 -0.059 0.000 1.137 346 Y CA 0.675 58.724 58.100 -0.085 0.000 1.163 346 Y CB -0.959 37.397 38.460 -0.172 0.000 0.988 346 Y HN 0.048 nan 8.280 nan 0.000 0.518 347 L N 0.638 121.723 121.223 -0.230 0.000 2.005 347 L HA -0.164 4.177 4.340 0.001 0.000 0.207 347 L C 2.924 179.798 176.870 0.005 0.000 1.072 347 L CA 2.005 56.780 54.840 -0.109 0.000 0.744 347 L CB -1.256 40.645 42.059 -0.264 0.000 0.895 347 L HN 0.473 nan 8.230 nan 0.000 0.433 348 S N -0.510 115.118 115.700 -0.120 0.000 2.399 348 S HA -0.341 4.130 4.470 0.001 0.000 0.235 348 S C 2.079 176.678 174.600 -0.000 0.000 1.063 348 S CA 2.221 60.364 58.200 -0.095 0.000 1.070 348 S CB -0.643 62.472 63.200 -0.142 0.000 0.904 348 S HN 0.658 nan 8.310 nan 0.000 0.456 349 N N -1.101 117.623 118.700 0.039 0.000 2.300 349 N HA -0.080 4.660 4.740 0.001 0.000 0.179 349 N C 1.524 177.121 175.510 0.145 0.000 1.016 349 N CA 1.173 54.273 53.050 0.083 0.000 0.876 349 N CB -0.382 38.150 38.487 0.075 0.000 0.979 349 N HN 0.737 nan 8.380 nan 0.000 0.432 350 W N 1.830 123.134 121.300 0.007 0.000 2.402 350 W HA -0.039 4.621 4.660 0.001 0.000 0.286 350 W C 1.937 178.511 176.519 0.091 0.000 1.221 350 W CA 1.269 58.642 57.345 0.047 0.000 1.257 350 W CB -0.276 29.199 29.460 0.025 0.000 1.120 350 W HN -0.098 nan 8.180 nan 0.000 0.551 351 T N 1.002 115.749 114.554 0.322 0.000 2.701 351 T HA -0.273 4.077 4.350 0.001 0.000 0.263 351 T C 1.891 176.596 174.700 0.010 0.000 1.040 351 T CA 1.687 63.900 62.100 0.187 0.000 1.147 351 T CB -0.666 68.349 68.868 0.245 0.000 0.865 351 T HN 0.133 nan 8.240 nan 0.000 0.426 352 M N 0.652 120.273 119.600 0.034 0.000 2.255 352 M HA -0.203 4.277 4.480 0.001 0.000 0.259 352 M C 2.180 178.466 176.300 -0.024 0.000 1.071 352 M CA 1.594 56.917 55.300 0.037 0.000 1.074 352 M CB -0.126 32.523 32.600 0.082 0.000 1.384 352 M HN 0.166 nan 8.290 nan 0.000 0.415 353 E N 0.147 120.291 120.200 -0.094 0.000 2.051 353 E HA -0.166 4.184 4.350 0.001 0.000 0.189 353 E C 1.749 178.206 176.600 -0.239 0.000 0.979 353 E CA 1.227 57.528 56.400 -0.166 0.000 0.803 353 E CB 0.019 29.596 29.700 -0.205 0.000 0.761 353 E HN 0.137 nan 8.360 nan 0.000 0.451 354 K N -0.454 119.709 120.400 -0.395 0.000 2.211 354 K HA -0.012 4.308 4.320 0.001 0.000 0.203 354 K C 1.712 178.225 176.600 -0.145 0.000 1.050 354 K CA 0.725 56.801 56.287 -0.352 0.000 0.945 354 K CB -0.197 31.974 32.500 -0.549 0.000 0.732 354 K HN 0.039 nan 8.250 nan 0.000 0.451 355 V N 0.546 120.408 119.914 -0.086 0.000 2.346 355 V HA -0.152 3.969 4.120 0.001 0.000 0.244 355 V C 2.124 178.203 176.094 -0.026 0.000 1.037 355 V CA 1.537 63.824 62.300 -0.020 0.000 1.029 355 V CB -0.290 31.543 31.823 0.018 0.000 0.663 355 V HN 0.291 nan 8.190 nan 0.000 0.454 356 K N -0.089 120.289 120.400 -0.036 0.000 2.057 356 K HA -0.189 4.132 4.320 0.001 0.000 0.207 356 K C 2.328 178.904 176.600 -0.041 0.000 1.049 356 K CA 1.417 57.683 56.287 -0.034 0.000 0.931 356 K CB -0.218 32.261 32.500 -0.034 0.000 0.714 356 K HN 0.209 nan 8.250 nan 0.000 0.440 357 R N 0.813 121.275 120.500 -0.063 0.000 2.303 357 R HA -0.105 4.235 4.340 0.001 0.000 0.225 357 R C 0.793 177.072 176.300 -0.036 0.000 1.114 357 R CA 0.909 56.974 56.100 -0.059 0.000 1.007 357 R CB 0.211 30.453 30.300 -0.096 0.000 0.861 357 R HN 0.043 nan 8.270 nan 0.000 0.471 358 E N -0.537 119.646 120.200 -0.027 0.000 2.451 358 E HA 0.114 4.465 4.350 0.001 0.000 0.194 358 E C -0.024 176.573 176.600 -0.006 0.000 1.027 358 E CA 0.305 56.703 56.400 -0.005 0.000 0.914 358 E CB 0.763 30.470 29.700 0.013 0.000 1.054 358 E HN 0.423 nan 8.360 nan 0.000 0.461 359 G N 0.797 109.589 108.800 -0.014 0.000 2.353 359 G HA2 -0.230 3.730 3.960 0.001 0.000 0.294 359 G HA3 -0.230 3.730 3.960 0.001 0.000 0.294 359 G C -0.107 174.780 174.900 -0.022 0.000 1.077 359 G CA 0.421 45.511 45.100 -0.016 0.000 1.098 359 G HN 0.114 nan 8.290 nan 0.000 0.511 360 V N 0.582 120.482 119.914 -0.022 0.000 2.709 360 V HA 0.508 4.628 4.120 0.001 0.000 0.308 360 V C 0.404 176.482 176.094 -0.025 0.000 1.062 360 V CA -1.201 61.084 62.300 -0.024 0.000 0.901 360 V CB 2.172 33.984 31.823 -0.017 0.000 1.003 360 V HN 0.408 nan 8.190 nan 0.000 0.425 361 K N 3.214 123.595 120.400 -0.031 0.000 2.284 361 K HA 0.558 4.879 4.320 0.001 0.000 0.287 361 K C -1.005 175.565 176.600 -0.050 0.000 1.081 361 K CA -0.256 56.007 56.287 -0.040 0.000 0.910 361 K CB 1.093 33.567 32.500 -0.042 0.000 1.088 361 K HN 0.527 nan 8.250 nan 0.000 0.478 362 V N 6.001 125.884 119.914 -0.052 0.000 2.427 362 V HA 0.317 4.438 4.120 0.001 0.000 0.286 362 V C 0.315 176.309 176.094 -0.168 0.000 1.034 362 V CA -0.482 61.775 62.300 -0.071 0.000 0.893 362 V CB 1.485 33.310 31.823 0.003 0.000 0.982 362 V HN 0.787 nan 8.190 nan 0.000 0.452 363 M N 7.127 126.530 119.600 -0.329 0.000 2.488 363 M HA 0.311 4.792 4.480 0.001 0.000 0.204 363 M C -2.693 173.210 176.300 -0.662 0.000 0.969 363 M CA -1.389 53.685 55.300 -0.378 0.000 0.720 363 M CB 1.574 34.014 32.600 -0.267 0.000 1.427 363 M HN 0.386 nan 8.290 nan 0.000 0.427 364 P HA 0.205 nan 4.420 nan 0.000 0.274 364 P C -0.616 176.516 177.300 -0.281 0.000 1.256 364 P CA 0.183 62.928 63.100 -0.592 0.000 0.795 364 P CB 0.297 31.907 31.700 -0.149 0.000 1.038 365 N N -2.787 115.832 118.700 -0.135 0.000 2.740 365 N HA -0.124 4.616 4.740 0.001 0.000 0.248 365 N C -0.628 174.828 175.510 -0.089 0.000 1.062 365 N CA 1.054 54.065 53.050 -0.065 0.000 0.704 365 N CB -2.153 36.305 38.487 -0.047 0.000 0.968 365 N HN 0.652 nan 8.380 nan 0.000 0.547 366 A N 0.382 123.132 122.820 -0.116 0.000 2.332 366 A HA 0.761 5.082 4.320 0.001 0.000 0.300 366 A C -0.249 177.300 177.584 -0.058 0.000 1.153 366 A CA -0.623 51.351 52.037 -0.105 0.000 0.764 366 A CB 0.840 19.742 19.000 -0.164 0.000 1.174 366 A HN 0.279 nan 8.150 nan 0.000 0.467 367 I N 2.475 123.022 120.570 -0.039 0.000 2.378 367 I HA 0.356 4.527 4.170 0.001 0.000 0.291 367 I C -0.207 175.895 176.117 -0.025 0.000 0.992 367 I CA -1.001 60.286 61.300 -0.022 0.000 1.154 367 I CB 1.954 39.945 38.000 -0.014 0.000 1.315 367 I HN 0.265 nan 8.210 nan 0.000 0.448 368 V N 6.177 126.079 119.914 -0.020 0.000 2.508 368 V HA 0.045 4.166 4.120 0.001 0.000 0.281 368 V C 0.954 177.038 176.094 -0.017 0.000 1.041 368 V CA 0.288 62.575 62.300 -0.021 0.000 1.016 368 V CB 1.175 32.988 31.823 -0.018 0.000 0.984 368 V HN 0.918 nan 8.190 nan 0.000 0.478 369 Q N 3.637 123.426 119.800 -0.018 0.000 2.159 369 Q HA 0.078 4.419 4.340 0.001 0.000 0.194 369 Q C 0.761 176.753 176.000 -0.013 0.000 0.968 369 Q CA 0.943 56.737 55.803 -0.015 0.000 0.837 369 Q CB 0.658 29.387 28.738 -0.015 0.000 0.920 369 Q HN 0.860 nan 8.270 nan 0.000 0.485 370 S N -0.739 114.952 115.700 -0.015 0.000 2.599 370 S HA 0.709 5.180 4.470 0.001 0.000 0.287 370 S C -0.872 173.719 174.600 -0.015 0.000 1.105 370 S CA -0.884 57.308 58.200 -0.013 0.000 0.899 370 S CB 2.280 65.473 63.200 -0.012 0.000 1.100 370 S HN 0.057 nan 8.310 nan 0.000 0.482 371 V N 1.139 121.045 119.914 -0.014 0.000 2.577 371 V HA 0.872 4.992 4.120 0.001 0.000 0.303 371 V C 0.619 176.706 176.094 -0.012 0.000 1.042 371 V CA 0.085 62.375 62.300 -0.015 0.000 0.872 371 V CB 1.111 32.923 31.823 -0.019 0.000 0.998 371 V HN 1.311 nan 8.190 nan 0.000 0.423 372 G N 2.821 111.614 108.800 -0.011 0.000 3.187 372 G HA2 0.739 4.699 3.960 0.001 0.000 0.175 372 G HA3 0.739 4.699 3.960 0.001 0.000 0.175 372 G C -1.418 173.478 174.900 -0.006 0.000 1.112 372 G CA -0.494 44.602 45.100 -0.007 0.000 0.821 372 G HN 0.660 nan 8.290 nan 0.000 0.636 373 V N 0.153 120.065 119.914 -0.004 0.000 2.733 373 V HA 0.750 4.870 4.120 0.001 0.000 0.306 373 V C -0.624 175.469 176.094 -0.002 0.000 1.084 373 V CA -0.563 61.736 62.300 -0.001 0.000 0.905 373 V CB 1.439 33.263 31.823 0.002 0.000 1.010 373 V HN 0.883 nan 8.190 nan 0.000 0.424 374 S N 2.294 117.994 115.700 -0.001 0.000 2.537 374 S HA 0.647 5.117 4.470 0.001 0.000 0.271 374 S C 0.557 175.157 174.600 -0.000 0.000 1.148 374 S CA 0.527 58.726 58.200 -0.002 0.000 0.868 374 S CB 1.684 64.882 63.200 -0.004 0.000 1.115 374 S HN 2.348 nan 8.310 nan 0.000 0.461 375 G N 1.830 110.630 108.800 -0.000 0.000 2.296 375 G HA2 -0.025 3.935 3.960 0.001 0.000 0.282 375 G HA3 -0.025 3.935 3.960 0.001 0.000 0.282 375 G C 1.515 176.416 174.900 0.003 0.000 1.014 375 G CA 1.373 46.474 45.100 0.000 0.000 0.812 375 G HN 2.245 nan 8.290 nan 0.000 0.508 376 G N -1.534 107.268 108.800 0.004 0.000 2.320 376 G HA2 -0.313 3.647 3.960 0.001 0.000 0.242 376 G HA3 -0.313 3.647 3.960 0.001 0.000 0.242 376 G C 0.787 175.693 174.900 0.010 0.000 1.033 376 G CA 1.250 46.354 45.100 0.007 0.000 0.620 376 G HN 0.992 nan 8.290 nan 0.000 0.517 377 R N -0.487 120.018 120.500 0.008 0.000 2.527 377 R HA 0.747 5.087 4.340 0.001 0.000 0.243 377 R C 0.139 176.443 176.300 0.007 0.000 1.206 377 R CA -0.764 55.342 56.100 0.010 0.000 1.134 377 R CB 0.474 30.778 30.300 0.006 0.000 1.347 377 R HN 0.188 nan 8.270 nan 0.000 0.580 378 L N 1.509 122.735 121.223 0.005 0.000 2.292 378 L HA 0.330 4.670 4.340 0.001 0.000 0.284 378 L C -0.521 176.343 176.870 -0.010 0.000 1.065 378 L CA -0.309 54.528 54.840 -0.004 0.000 0.806 378 L CB 0.906 42.958 42.059 -0.012 0.000 1.175 378 L HN 0.260 nan 8.230 nan 0.000 0.431 379 L N 5.699 126.914 121.223 -0.012 0.000 2.275 379 L HA 0.464 4.805 4.340 0.001 0.000 0.288 379 L C -0.328 176.530 176.870 -0.019 0.000 1.046 379 L CA -0.485 54.346 54.840 -0.015 0.000 0.805 379 L CB 1.214 43.266 42.059 -0.012 0.000 1.193 379 L HN 0.552 nan 8.230 nan 0.000 0.426 380 I N 1.189 121.746 120.570 -0.023 0.000 2.537 380 I HA 0.359 4.530 4.170 0.001 0.000 0.276 380 I C -0.533 175.568 176.117 -0.027 0.000 1.063 380 I CA -0.807 60.477 61.300 -0.026 0.000 1.144 380 I CB 0.802 38.783 38.000 -0.031 0.000 1.252 380 I HN 0.471 nan 8.210 nan 0.000 0.480 381 K N 6.084 126.471 120.400 -0.023 0.000 2.349 381 K HA 0.468 4.788 4.320 0.001 0.000 0.289 381 K C -0.194 176.391 176.600 -0.025 0.000 1.064 381 K CA -0.419 55.855 56.287 -0.023 0.000 0.947 381 K CB 1.398 33.887 32.500 -0.019 0.000 1.007 381 K HN 0.571 nan 8.250 nan 0.000 0.478 382 L N 2.472 123.677 121.223 -0.030 0.000 2.470 382 L HA 0.061 4.401 4.340 0.001 0.000 0.243 382 L C 1.670 178.524 176.870 -0.027 0.000 1.227 382 L CA 0.078 54.899 54.840 -0.033 0.000 0.824 382 L CB 0.245 42.278 42.059 -0.043 0.000 1.175 382 L HN 0.618 nan 8.230 nan 0.000 0.503 383 K N -0.212 120.172 120.400 -0.026 0.000 2.242 383 K HA -0.069 4.251 4.320 0.001 0.000 0.200 383 K C 1.423 178.010 176.600 -0.022 0.000 1.050 383 K CA 0.913 57.187 56.287 -0.021 0.000 0.981 383 K CB 0.193 32.682 32.500 -0.018 0.000 0.795 383 K HN 0.773 nan 8.250 nan 0.000 0.477 384 D N -1.985 118.399 120.400 -0.027 0.000 2.224 384 D HA -0.006 4.635 4.640 0.001 0.000 0.205 384 D C 1.226 177.511 176.300 -0.025 0.000 0.965 384 D CA 1.248 55.232 54.000 -0.026 0.000 0.852 384 D CB 0.420 41.201 40.800 -0.031 0.000 0.947 384 D HN 0.265 nan 8.370 nan 0.000 0.494 385 G N -0.777 108.007 108.800 -0.027 0.000 3.876 385 G HA2 -0.157 3.804 3.960 0.001 0.000 0.203 385 G HA3 -0.157 3.804 3.960 0.001 0.000 0.203 385 G C 0.022 174.905 174.900 -0.028 0.000 1.162 385 G CA -0.549 44.536 45.100 -0.025 0.000 0.903 385 G HN 0.100 nan 8.290 nan 0.000 0.390 386 R N 1.741 122.221 120.500 -0.034 0.000 2.758 386 R HA 0.375 4.715 4.340 0.001 0.000 0.263 386 R C 0.103 176.382 176.300 -0.035 0.000 1.010 386 R CA 0.603 56.681 56.100 -0.037 0.000 1.114 386 R CB -0.036 30.235 30.300 -0.048 0.000 0.985 386 R HN 0.696 nan 8.270 nan 0.000 0.439 387 K N -0.254 120.126 120.400 -0.033 0.000 2.464 387 K HA 0.575 4.896 4.320 0.001 0.000 0.253 387 K C -1.045 175.536 176.600 -0.032 0.000 0.933 387 K CA -0.986 55.283 56.287 -0.031 0.000 0.801 387 K CB 1.986 34.472 32.500 -0.024 0.000 1.271 387 K HN 0.177 nan 8.250 nan 0.000 0.430 388 V N 1.072 120.967 119.914 -0.032 0.000 2.604 388 V HA 0.366 4.487 4.120 0.001 0.000 0.305 388 V C -0.692 175.387 176.094 -0.025 0.000 1.043 388 V CA -0.777 61.503 62.300 -0.032 0.000 0.888 388 V CB 1.671 33.470 31.823 -0.040 0.000 0.995 388 V HN 0.891 nan 8.190 nan 0.000 0.429 389 E N 1.780 121.968 120.200 -0.021 0.000 2.165 389 E HA 0.666 5.016 4.350 0.001 0.000 0.266 389 E C -0.985 175.608 176.600 -0.012 0.000 0.889 389 E CA -0.152 56.239 56.400 -0.015 0.000 0.756 389 E CB 1.931 31.624 29.700 -0.012 0.000 1.131 389 E HN 0.801 nan 8.360 nan 0.000 0.411 390 T N 1.967 116.516 114.554 -0.007 0.000 2.816 390 T HA 0.193 4.544 4.350 0.001 0.000 0.299 390 T C -0.446 174.264 174.700 0.017 0.000 1.230 390 T CA -0.562 61.539 62.100 0.001 0.000 1.007 390 T CB 1.315 70.180 68.868 -0.004 0.000 1.289 390 T HN 0.423 nan 8.240 nan 0.000 0.508 391 D N 0.030 120.453 120.400 0.039 0.000 2.277 391 D HA 0.133 4.773 4.640 0.001 0.000 0.209 391 D C 0.154 176.542 176.300 0.147 0.000 0.970 391 D CA 0.816 54.858 54.000 0.070 0.000 0.874 391 D CB 0.326 41.162 40.800 0.061 0.000 0.982 391 D HN 0.503 nan 8.370 nan 0.000 0.504 392 H N -0.735 118.334 119.070 -0.002 0.000 2.947 392 H HA 0.419 4.975 4.556 0.001 0.000 0.354 392 H C -1.199 174.131 175.328 0.002 0.000 1.085 392 H CA -0.486 55.565 56.048 0.005 0.000 1.253 392 H CB 1.382 31.150 29.762 0.011 0.000 1.757 392 H HN -0.241 nan 8.280 nan 0.000 0.523 393 I N 4.945 125.268 120.570 -0.411 0.000 2.392 393 I HA 0.394 4.565 4.170 0.001 0.000 0.295 393 I C -0.503 175.501 176.117 -0.188 0.000 0.985 393 I CA -0.978 60.185 61.300 -0.228 0.000 1.221 393 I CB 1.493 39.382 38.000 -0.184 0.000 1.366 393 I HN 0.215 nan 8.210 nan 0.000 0.467 394 V N 3.618 123.510 119.914 -0.037 0.000 2.540 394 V HA 0.470 4.590 4.120 0.001 0.000 0.302 394 V C 0.026 176.138 176.094 0.030 0.000 1.035 394 V CA -0.635 61.685 62.300 0.035 0.000 0.873 394 V CB 1.739 33.583 31.823 0.035 0.000 0.992 394 V HN 0.842 nan 8.190 nan 0.000 0.428 395 T N 0.876 115.469 114.554 0.066 0.000 2.779 395 T HA 0.773 5.123 4.350 0.001 0.000 0.280 395 T C -0.093 174.663 174.700 0.092 0.000 0.987 395 T CA -0.185 61.952 62.100 0.061 0.000 0.966 395 T CB 1.736 70.633 68.868 0.047 0.000 0.933 395 T HN 1.129 nan 8.240 nan 0.000 0.442 396 A N 3.199 126.061 122.820 0.069 0.000 3.253 396 A HA 0.532 4.853 4.320 0.001 0.000 0.290 396 A C 0.828 178.439 177.584 0.045 0.000 0.950 396 A CA -0.476 51.607 52.037 0.077 0.000 0.986 396 A CB -0.129 18.911 19.000 0.066 0.000 1.104 396 A HN 1.508 nan 8.150 nan 0.000 0.481 397 V N -1.914 118.025 119.914 0.042 0.000 3.252 397 V HA 0.614 4.735 4.120 0.001 0.000 0.350 397 V C 0.647 176.750 176.094 0.014 0.000 1.329 397 V CA 0.315 62.628 62.300 0.021 0.000 1.258 397 V CB -1.213 30.622 31.823 0.021 0.000 1.208 397 V HN 1.865 nan 8.190 nan 0.000 0.462 398 G N 0.258 109.072 108.800 0.024 0.000 2.655 398 G HA2 0.080 4.040 3.960 0.001 0.000 0.680 398 G HA3 0.080 4.040 3.960 0.001 0.000 0.680 398 G C -1.443 173.478 174.900 0.034 0.000 1.302 398 G CA -0.230 44.882 45.100 0.019 0.000 0.872 398 G HN 0.854 nan 8.290 nan 0.000 0.540 399 L N -0.254 120.986 121.223 0.028 0.000 2.342 399 L HA 0.911 5.252 4.340 0.001 0.000 0.271 399 L C -0.241 176.643 176.870 0.023 0.000 1.008 399 L CA -1.004 53.858 54.840 0.037 0.000 0.818 399 L CB 1.956 44.042 42.059 0.045 0.000 1.296 399 L HN 0.887 nan 8.230 nan 0.000 0.427 400 E N 5.486 125.702 120.200 0.026 0.000 2.155 400 E HA 0.488 4.838 4.350 0.001 0.000 0.264 400 E C -2.585 174.022 176.600 0.013 0.000 0.886 400 E CA -2.506 53.901 56.400 0.012 0.000 0.752 400 E CB 1.307 31.013 29.700 0.009 0.000 1.133 400 E HN 0.276 nan 8.360 nan 0.000 0.414 401 P HA -0.019 nan 4.420 nan 0.000 0.263 401 P C -0.801 176.488 177.300 -0.019 0.000 1.195 401 P CA 0.246 63.346 63.100 0.001 0.000 0.762 401 P CB 0.290 31.973 31.700 -0.029 0.000 0.799 402 N N 2.103 120.819 118.700 0.028 0.000 2.415 402 N HA 0.177 4.917 4.740 0.001 0.000 0.250 402 N C 0.604 176.136 175.510 0.036 0.000 1.127 402 N CA -0.429 52.645 53.050 0.039 0.000 0.945 402 N CB 0.264 38.799 38.487 0.079 0.000 1.196 402 N HN 0.240 nan 8.380 nan 0.000 0.499 403 V N -0.165 119.706 119.914 -0.073 0.000 2.909 403 V HA 0.211 4.332 4.120 0.001 0.000 0.362 403 V C 0.812 176.884 176.094 -0.036 0.000 1.356 403 V CA -0.374 61.798 62.300 -0.213 0.000 1.195 403 V CB 0.071 31.517 31.823 -0.629 0.000 1.256 403 V HN 0.467 nan 8.190 nan 0.000 0.567 404 E N 1.086 121.315 120.200 0.049 0.000 2.209 404 E HA -0.128 4.222 4.350 0.001 0.000 0.196 404 E C 1.709 178.371 176.600 0.103 0.000 0.993 404 E CA 1.581 58.018 56.400 0.061 0.000 0.819 404 E CB -0.242 29.496 29.700 0.064 0.000 0.745 404 E HN 0.642 nan 8.360 nan 0.000 0.477 405 L N 0.656 121.985 121.223 0.176 0.000 2.275 405 L HA -0.125 4.215 4.340 0.001 0.000 0.215 405 L C 2.374 179.364 176.870 0.199 0.000 1.119 405 L CA 0.715 55.663 54.840 0.180 0.000 0.790 405 L CB -0.496 41.678 42.059 0.192 0.000 0.919 405 L HN 0.120 nan 8.230 nan 0.000 0.443 406 A N 0.871 123.852 122.820 0.268 0.000 1.836 406 A HA -0.296 4.024 4.320 0.001 0.000 0.215 406 A C 2.268 179.921 177.584 0.114 0.000 1.214 406 A CA 2.202 54.373 52.037 0.222 0.000 0.636 406 A CB -0.646 18.412 19.000 0.097 0.000 0.847 406 A HN 0.330 nan 8.150 nan 0.000 0.451 407 K N -1.014 119.431 120.400 0.075 0.000 2.044 407 K HA -0.279 4.041 4.320 0.001 0.000 0.224 407 K C 2.264 178.908 176.600 0.074 0.000 1.056 407 K CA 2.668 58.991 56.287 0.061 0.000 0.962 407 K CB -1.045 31.486 32.500 0.052 0.000 0.730 407 K HN 0.809 nan 8.250 nan 0.000 0.453 408 T N -1.644 112.965 114.554 0.091 0.000 2.746 408 T HA -0.103 4.247 4.350 0.001 0.000 0.267 408 T C 2.146 176.881 174.700 0.058 0.000 1.039 408 T CA 1.357 63.535 62.100 0.129 0.000 1.142 408 T CB -0.805 68.196 68.868 0.221 0.000 0.866 408 T HN 0.358 nan 8.240 nan 0.000 0.444 409 G N 0.965 109.769 108.800 0.006 0.000 2.394 409 G HA2 0.351 4.311 3.960 0.001 0.000 0.214 409 G HA3 0.351 4.311 3.960 0.001 0.000 0.214 409 G C 1.279 176.193 174.900 0.022 0.000 1.176 409 G CA 0.419 45.506 45.100 -0.022 0.000 0.786 409 G HN 1.500 nan 8.290 nan 0.000 0.533 410 G N -1.069 107.760 108.800 0.048 0.000 2.148 410 G HA2 -0.169 3.791 3.960 0.001 0.000 0.157 410 G HA3 -0.169 3.791 3.960 0.001 0.000 0.157 410 G C 0.200 175.133 174.900 0.056 0.000 1.012 410 G CA -0.105 45.023 45.100 0.047 0.000 0.677 410 G HN 0.443 nan 8.290 nan 0.000 0.506 411 L N 0.795 122.073 121.223 0.091 0.000 2.417 411 L HA 0.446 4.787 4.340 0.001 0.000 0.268 411 L C 0.980 177.925 176.870 0.125 0.000 1.158 411 L CA -0.511 54.407 54.840 0.129 0.000 0.819 411 L CB 1.003 43.205 42.059 0.237 0.000 1.112 411 L HN 0.327 nan 8.230 nan 0.000 0.458 412 E N 2.753 123.018 120.200 0.109 0.000 2.257 412 E HA 0.256 4.606 4.350 0.001 0.000 0.278 412 E C -0.781 175.867 176.600 0.079 0.000 1.049 412 E CA -0.469 55.976 56.400 0.074 0.000 0.876 412 E CB 0.703 30.436 29.700 0.055 0.000 1.035 412 E HN 0.342 nan 8.360 nan 0.000 0.419 413 I N 3.329 123.902 120.570 0.004 0.000 2.612 413 I HA 0.095 4.266 4.170 0.001 0.000 0.295 413 I C 0.496 176.591 176.117 -0.037 0.000 1.011 413 I CA -0.305 60.955 61.300 -0.068 0.000 1.326 413 I CB 1.014 38.941 38.000 -0.122 0.000 1.427 413 I HN 0.472 nan 8.210 nan 0.000 0.537 414 D N 3.571 123.948 120.400 -0.038 0.000 2.467 414 D HA 0.105 4.745 4.640 0.001 0.000 0.220 414 D C 0.455 176.685 176.300 -0.116 0.000 1.103 414 D CA -0.153 53.822 54.000 -0.041 0.000 0.886 414 D CB 1.025 41.852 40.800 0.045 0.000 1.025 414 D HN 0.591 nan 8.370 nan 0.000 0.514 415 S N 2.213 117.835 115.700 -0.131 0.000 2.881 415 S HA -0.005 4.466 4.470 0.001 0.000 0.228 415 S C 0.547 175.012 174.600 -0.226 0.000 0.965 415 S CA -0.199 57.913 58.200 -0.147 0.000 0.998 415 S CB 0.394 63.529 63.200 -0.108 0.000 0.795 415 S HN 0.403 nan 8.310 nan 0.000 0.518 416 D N 2.063 122.237 120.400 -0.376 0.000 3.016 416 D HA 0.228 4.868 4.640 0.001 0.000 0.237 416 D C 1.306 177.310 176.300 -0.492 0.000 1.275 416 D CA -0.202 53.422 54.000 -0.627 0.000 1.231 416 D CB -0.782 39.213 40.800 -1.342 0.000 0.924 416 D HN 0.414 nan 8.370 nan 0.000 0.200 417 F N 1.351 121.266 119.950 -0.057 0.000 2.529 417 F HA 0.214 4.741 4.527 0.000 0.000 0.297 417 F C 1.664 177.426 175.800 -0.064 0.000 1.114 417 F CA 0.578 58.537 58.000 -0.068 0.000 1.467 417 F CB -0.921 38.026 39.000 -0.089 0.000 1.096 417 F HN 0.261 nan 8.300 nan 0.000 0.586 418 G N -0.498 108.308 108.800 0.011 0.000 2.756 418 G HA2 0.382 4.342 3.960 0.001 0.000 0.678 418 G HA3 0.382 4.342 3.960 0.001 0.000 0.678 418 G C -0.011 174.894 174.900 0.009 0.000 1.349 418 G CA -0.629 44.462 45.100 -0.015 0.000 0.847 418 G HN 1.381 nan 8.290 nan 0.000 0.548 419 G N -1.773 106.982 108.800 -0.074 0.000 2.760 419 G HA2 0.280 4.241 3.960 0.001 0.000 0.246 419 G HA3 0.280 4.241 3.960 0.001 0.000 0.246 419 G C -0.112 174.699 174.900 -0.148 0.000 1.359 419 G CA 0.116 45.155 45.100 -0.101 0.000 0.861 419 G HN 1.759 nan 8.290 nan 0.000 0.541 420 F N 0.992 120.982 119.950 0.068 0.000 2.456 420 F HA 0.450 4.977 4.527 0.000 0.000 0.358 420 F C 1.731 177.579 175.800 0.081 0.000 1.095 420 F CA -0.203 57.833 58.000 0.061 0.000 1.216 420 F CB 0.833 39.866 39.000 0.054 0.000 1.125 420 F HN 0.349 nan 8.300 nan 0.000 0.549 421 R N 2.679 123.318 120.500 0.232 0.000 2.449 421 R HA 0.361 4.702 4.340 0.001 0.000 0.296 421 R C -0.726 175.685 176.300 0.186 0.000 1.047 421 R CA -0.142 56.067 56.100 0.183 0.000 1.018 421 R CB 0.546 30.919 30.300 0.121 0.000 0.962 421 R HN 0.603 nan 8.270 nan 0.000 0.428 422 V N 0.526 120.557 119.914 0.195 0.000 3.040 422 V HA 0.412 4.533 4.120 0.001 0.000 0.312 422 V C 0.023 176.235 176.094 0.196 0.000 1.115 422 V CA -1.346 61.054 62.300 0.168 0.000 0.998 422 V CB 1.875 33.803 31.823 0.175 0.000 1.042 422 V HN 0.936 nan 8.190 nan 0.000 0.433 423 N N 1.814 120.610 118.700 0.160 0.000 2.285 423 N HA 0.397 5.137 4.740 0.001 0.000 0.262 423 N C 1.077 176.763 175.510 0.293 0.000 1.299 423 N CA -0.145 53.024 53.050 0.198 0.000 0.930 423 N CB 1.126 39.690 38.487 0.128 0.000 1.157 423 N HN 1.014 nan 8.380 nan 0.000 0.532 424 A N -0.672 122.352 122.820 0.340 0.000 2.209 424 A HA -0.080 4.241 4.320 0.001 0.000 0.212 424 A C 1.163 178.937 177.584 0.317 0.000 1.158 424 A CA 0.727 52.995 52.037 0.386 0.000 0.742 424 A CB -0.498 18.752 19.000 0.417 0.000 0.790 424 A HN 0.813 nan 8.150 nan 0.000 0.472 425 E N -0.535 119.827 120.200 0.270 0.000 2.465 425 E HA 0.371 4.722 4.350 0.001 0.000 0.195 425 E C -0.036 176.757 176.600 0.323 0.000 1.028 425 E CA -0.285 56.279 56.400 0.273 0.000 0.899 425 E CB 0.010 29.872 29.700 0.270 0.000 1.032 425 E HN 0.480 nan 8.360 nan 0.000 0.468 426 L N 0.279 121.663 121.223 0.269 0.000 4.884 426 L HA -0.300 4.040 4.340 0.001 0.000 0.430 426 L C 0.501 177.537 176.870 0.277 0.000 1.087 426 L CA 0.606 55.597 54.840 0.251 0.000 1.033 426 L CB -1.400 40.773 42.059 0.190 0.000 2.030 426 L HN 0.316 nan 8.230 nan 0.000 0.762 427 Q N -0.170 119.730 119.800 0.167 0.000 2.267 427 Q HA 0.553 4.893 4.340 0.001 0.000 0.255 427 Q C 0.776 176.685 176.000 -0.151 0.000 0.923 427 Q CA 0.582 56.259 55.803 -0.210 0.000 0.925 427 Q CB 1.730 30.259 28.738 -0.349 0.000 1.195 427 Q HN 0.286 nan 8.270 nan 0.000 0.417 428 A N 4.992 127.681 122.820 -0.217 0.000 2.070 428 A HA 0.237 4.558 4.320 0.001 0.000 0.221 428 A C 0.592 178.082 177.584 -0.157 0.000 1.603 428 A CA 0.409 52.373 52.037 -0.121 0.000 0.639 428 A CB 0.054 18.998 19.000 -0.093 0.000 1.235 428 A HN 0.744 nan 8.150 nan 0.000 0.518 429 R N -0.770 119.614 120.500 -0.195 0.000 2.730 429 R HA 0.519 4.859 4.340 0.001 0.000 0.228 429 R C -0.343 175.785 176.300 -0.286 0.000 1.312 429 R CA -0.511 55.482 56.100 -0.179 0.000 1.093 429 R CB 0.735 30.972 30.300 -0.104 0.000 1.583 429 R HN 0.394 nan 8.270 nan 0.000 0.535 430 S N 2.135 117.713 115.700 -0.203 0.000 2.515 430 S HA 0.013 4.484 4.470 0.001 0.000 0.285 430 S C 0.151 174.614 174.600 -0.228 0.000 1.265 430 S CA 0.228 58.295 58.200 -0.222 0.000 1.079 430 S CB 0.053 63.190 63.200 -0.104 0.000 0.877 430 S HN 0.686 nan 8.310 nan 0.000 0.493 431 N N 0.066 118.525 118.700 -0.401 0.000 2.967 431 N HA -0.153 4.587 4.740 0.001 0.000 0.212 431 N C -0.604 174.805 175.510 -0.169 0.000 0.884 431 N CA 1.094 54.052 53.050 -0.153 0.000 1.030 431 N CB -0.940 37.651 38.487 0.172 0.000 1.018 431 N HN 0.550 nan 8.380 nan 0.000 0.596 432 I N 0.486 120.816 120.570 -0.400 0.000 2.330 432 I HA 0.284 4.455 4.170 0.001 0.000 0.289 432 I C 0.220 176.119 176.117 -0.363 0.000 1.001 432 I CA -0.324 60.827 61.300 -0.248 0.000 1.193 432 I CB 0.614 38.498 38.000 -0.193 0.000 1.345 432 I HN -0.023 nan 8.210 nan 0.000 0.461 433 W N 5.316 126.558 121.300 -0.095 0.000 2.736 433 W HA 0.699 5.359 4.660 0.001 0.000 0.355 433 W C -0.830 175.614 176.519 -0.126 0.000 1.102 433 W CA -0.734 56.566 57.345 -0.076 0.000 1.164 433 W CB 2.426 31.859 29.460 -0.046 0.000 1.422 433 W HN 0.058 nan 8.180 nan 0.000 0.572 434 V N 0.985 120.986 119.914 0.145 0.000 2.777 434 V HA 0.744 4.864 4.120 0.001 0.000 0.306 434 V C -0.505 175.626 176.094 0.062 0.000 1.112 434 V CA -0.881 61.436 62.300 0.028 0.000 0.917 434 V CB 1.120 32.925 31.823 -0.030 0.000 1.018 434 V HN 0.628 nan 8.190 nan 0.000 0.426 435 A N 2.679 125.517 122.820 0.031 0.000 2.572 435 A HA 1.048 5.369 4.320 0.001 0.000 0.295 435 A C 0.115 177.719 177.584 0.033 0.000 1.072 435 A CA 0.064 52.091 52.037 -0.016 0.000 0.691 435 A CB 1.840 20.781 19.000 -0.098 0.000 1.291 435 A HN 2.485 nan 8.150 nan 0.000 0.404 436 G N 0.877 109.715 108.800 0.064 0.000 2.548 436 G HA2 -0.025 3.936 3.960 0.001 0.000 0.208 436 G HA3 -0.025 3.936 3.960 0.001 0.000 0.208 436 G C 0.041 175.086 174.900 0.241 0.000 1.308 436 G CA 0.448 45.648 45.100 0.167 0.000 0.924 436 G HN 0.803 nan 8.290 nan 0.000 0.540 437 D N 0.276 120.785 120.400 0.181 0.000 2.228 437 D HA 0.035 4.675 4.640 0.001 0.000 0.203 437 D C 2.529 178.912 176.300 0.138 0.000 0.988 437 D CA 2.106 56.185 54.000 0.131 0.000 0.864 437 D CB -0.469 40.394 40.800 0.105 0.000 0.928 437 D HN 1.010 nan 8.370 nan 0.000 0.469 438 A N -0.047 122.883 122.820 0.183 0.000 2.206 438 A HA 0.359 4.679 4.320 0.001 0.000 0.211 438 A C 1.181 178.959 177.584 0.322 0.000 1.158 438 A CA 0.525 52.710 52.037 0.247 0.000 0.761 438 A CB 0.001 19.212 19.000 0.353 0.000 0.801 438 A HN 0.160 nan 8.150 nan 0.000 0.473 439 A N -0.341 122.645 122.820 0.276 0.000 2.280 439 A HA 0.441 4.762 4.320 0.001 0.000 0.320 439 A C 0.052 177.829 177.584 0.322 0.000 1.366 439 A CA -0.317 51.903 52.037 0.306 0.000 0.938 439 A CB -0.487 18.670 19.000 0.260 0.000 1.157 439 A HN 0.667 nan 8.150 nan 0.000 0.536 440 C N 6.171 125.632 119.300 0.269 0.000 2.218 440 C HA 0.643 5.103 4.460 0.001 0.000 0.353 440 C C 0.016 175.125 174.990 0.199 0.000 1.070 440 C CA -0.993 58.139 59.018 0.190 0.000 1.497 440 C CB -2.810 25.054 27.740 0.206 0.000 1.951 440 C HN 0.644 nan 8.230 nan 0.000 0.493 441 F N 3.745 123.721 119.950 0.044 0.000 2.450 441 F HA 0.523 5.051 4.527 0.001 0.000 0.328 441 F C -0.659 175.207 175.800 0.111 0.000 1.068 441 F CA -1.995 56.050 58.000 0.074 0.000 1.007 441 F CB 0.483 39.481 39.000 -0.003 0.000 1.251 441 F HN 0.527 nan 8.300 nan 0.000 0.492 442 Y N 2.264 122.643 120.300 0.132 0.000 2.594 442 Y HA 0.267 4.817 4.550 0.001 0.000 0.342 442 Y C 0.004 176.048 175.900 0.240 0.000 1.010 442 Y CA -0.875 57.261 58.100 0.059 0.000 1.270 442 Y CB -0.127 38.394 38.460 0.102 0.000 1.125 442 Y HN 0.887 nan 8.280 nan 0.000 0.513 443 D N 4.003 124.269 120.400 -0.223 0.000 2.400 443 D HA -0.055 4.586 4.640 0.001 0.000 0.238 443 D C 0.956 176.889 176.300 -0.611 0.000 1.157 443 D CA 0.232 54.194 54.000 -0.063 0.000 0.889 443 D CB 0.955 41.782 40.800 0.045 0.000 1.199 443 D HN 0.667 nan 8.370 nan 0.000 0.436 444 I N 1.519 121.970 120.570 -0.200 0.000 3.035 444 I HA 0.105 4.275 4.170 0.001 0.000 0.271 444 I C 1.619 177.722 176.117 -0.024 0.000 1.190 444 I CA 0.696 61.916 61.300 -0.135 0.000 1.472 444 I CB -0.047 38.099 38.000 0.243 0.000 1.116 444 I HN 0.291 nan 8.210 nan 0.000 0.443 445 K N 0.936 121.319 120.400 -0.030 0.000 2.054 445 K HA 0.140 4.460 4.320 0.001 0.000 0.207 445 K C 1.137 177.695 176.600 -0.071 0.000 1.031 445 K CA 0.450 56.716 56.287 -0.035 0.000 0.952 445 K CB -0.375 32.036 32.500 -0.148 0.000 0.775 445 K HN 0.339 nan 8.250 nan 0.000 0.447 446 L N 0.524 121.679 121.223 -0.112 0.000 2.464 446 L HA 0.146 4.487 4.340 0.001 0.000 0.224 446 L C 1.002 177.775 176.870 -0.163 0.000 1.219 446 L CA 0.073 54.845 54.840 -0.113 0.000 0.831 446 L CB 0.404 42.393 42.059 -0.117 0.000 1.284 446 L HN 0.365 nan 8.230 nan 0.000 0.522 447 G N 0.145 108.858 108.800 -0.145 0.000 2.525 447 G HA2 0.123 4.083 3.960 0.001 0.000 0.276 447 G HA3 0.123 4.083 3.960 0.001 0.000 0.276 447 G C -0.459 174.287 174.900 -0.258 0.000 1.388 447 G CA -0.540 44.485 45.100 -0.124 0.000 1.050 447 G HN 0.691 nan 8.290 nan 0.000 0.520 448 R N 0.094 120.518 120.500 -0.127 0.000 2.442 448 R HA 0.392 4.733 4.340 0.001 0.000 0.291 448 R C 0.682 176.477 176.300 -0.842 0.000 1.069 448 R CA 0.025 55.980 56.100 -0.241 0.000 1.022 448 R CB 0.272 30.659 30.300 0.145 0.000 0.976 448 R HN 0.748 nan 8.270 nan 0.000 0.443 449 R N 2.451 122.331 120.500 -1.034 0.000 2.844 449 R HA 0.530 4.870 4.340 0.001 0.000 0.264 449 R C -1.418 174.365 176.300 -0.861 0.000 1.077 449 R CA -1.187 54.206 56.100 -1.178 0.000 0.953 449 R CB 1.348 31.128 30.300 -0.866 0.000 1.272 449 R HN 0.557 nan 8.270 nan 0.000 0.447 450 R N 0.786 120.977 120.500 -0.515 0.000 2.535 450 R HA 0.459 4.799 4.340 0.001 0.000 0.274 450 R C -1.837 174.333 176.300 -0.218 0.000 1.090 450 R CA -0.649 55.334 56.100 -0.195 0.000 0.930 450 R CB 2.525 32.807 30.300 -0.030 0.000 1.223 450 R HN 0.582 nan 8.270 nan 0.000 0.441 451 V N 0.747 120.498 119.914 -0.271 0.000 2.808 451 V HA 0.474 4.595 4.120 0.001 0.000 0.308 451 V C -0.476 175.431 176.094 -0.311 0.000 1.099 451 V CA -1.032 61.020 62.300 -0.414 0.000 0.920 451 V CB 1.955 33.365 31.823 -0.688 0.000 1.014 451 V HN 0.798 nan 8.190 nan 0.000 0.425 452 E N 3.890 123.951 120.200 -0.231 0.000 1.941 452 E HA 0.431 4.781 4.350 0.001 0.000 0.275 452 E C -1.059 175.626 176.600 0.142 0.000 1.113 452 E CA -0.290 56.104 56.400 -0.010 0.000 0.878 452 E CB 0.412 30.138 29.700 0.043 0.000 1.070 452 E HN 0.799 nan 8.360 nan 0.000 0.399 453 H N 0.974 120.193 119.070 0.248 0.000 2.877 453 H HA 0.103 4.660 4.556 0.001 0.000 0.347 453 H C 0.520 176.047 175.328 0.331 0.000 1.042 453 H CA -0.930 55.324 56.048 0.345 0.000 1.276 453 H CB 1.427 31.411 29.762 0.371 0.000 1.681 453 H HN 0.616 nan 8.280 nan 0.000 0.521 454 H N 2.361 121.636 119.070 0.341 0.000 2.289 454 H HA -0.212 4.344 4.556 0.001 0.000 0.294 454 H C 1.498 177.035 175.328 0.348 0.000 1.095 454 H CA 2.763 59.003 56.048 0.320 0.000 1.256 454 H CB 0.347 30.321 29.762 0.353 0.000 1.359 454 H HN 0.694 nan 8.280 nan 0.000 0.487 455 D N -0.853 119.824 120.400 0.461 0.000 2.127 455 D HA -0.261 4.379 4.640 0.001 0.000 0.190 455 D C 2.316 178.761 176.300 0.241 0.000 1.000 455 D CA 1.864 56.062 54.000 0.331 0.000 0.839 455 D CB -0.672 40.360 40.800 0.385 0.000 0.955 455 D HN 0.615 nan 8.370 nan 0.000 0.446 456 H N -0.272 118.972 119.070 0.292 0.000 2.421 456 H HA -0.045 4.511 4.556 0.001 0.000 0.298 456 H C 1.724 177.097 175.328 0.075 0.000 1.087 456 H CA 1.631 57.816 56.048 0.229 0.000 1.330 456 H CB -0.037 29.890 29.762 0.276 0.000 1.388 456 H HN 0.213 nan 8.280 nan 0.000 0.526 457 A N 0.536 123.411 122.820 0.091 0.000 1.897 457 A HA -0.056 4.264 4.320 0.001 0.000 0.215 457 A C 2.870 180.369 177.584 -0.142 0.000 1.181 457 A CA 1.226 53.245 52.037 -0.030 0.000 0.620 457 A CB -0.852 18.187 19.000 0.066 0.000 0.821 457 A HN 0.281 nan 8.150 nan 0.000 0.443 458 V N -0.419 119.397 119.914 -0.163 0.000 2.255 458 V HA -0.249 3.871 4.120 0.001 0.000 0.247 458 V C 2.573 178.543 176.094 -0.207 0.000 1.051 458 V CA 2.232 64.414 62.300 -0.196 0.000 1.018 458 V CB -0.725 30.997 31.823 -0.167 0.000 0.641 458 V HN 0.368 nan 8.190 nan 0.000 0.445 459 V N 0.499 120.285 119.914 -0.213 0.000 2.302 459 V HA -0.166 3.954 4.120 0.001 0.000 0.243 459 V C 2.698 178.674 176.094 -0.196 0.000 1.036 459 V CA 2.079 64.225 62.300 -0.256 0.000 1.020 459 V CB -0.510 31.039 31.823 -0.457 0.000 0.657 459 V HN 0.756 nan 8.190 nan 0.000 0.453 460 S N 0.685 116.234 115.700 -0.251 0.000 2.419 460 S HA -0.075 4.396 4.470 0.001 0.000 0.233 460 S C 2.000 176.461 174.600 -0.231 0.000 1.016 460 S CA 1.364 59.392 58.200 -0.287 0.000 0.974 460 S CB -0.716 61.981 63.200 -0.839 0.000 0.786 460 S HN 0.535 nan 8.310 nan 0.000 0.492 461 G N 2.472 111.131 108.800 -0.233 0.000 2.604 461 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 461 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 461 G C 1.460 176.231 174.900 -0.216 0.000 1.265 461 G CA 0.772 45.749 45.100 -0.205 0.000 0.804 461 G HN 0.504 nan 8.290 nan 0.000 0.579 462 R N -0.185 120.177 120.500 -0.230 0.000 2.140 462 R HA -0.157 4.184 4.340 0.001 0.000 0.250 462 R C 2.562 178.745 176.300 -0.195 0.000 1.150 462 R CA 1.903 57.867 56.100 -0.227 0.000 0.966 462 R CB -0.525 29.647 30.300 -0.213 0.000 0.869 462 R HN 0.370 nan 8.270 nan 0.000 0.445 463 L N 0.607 121.738 121.223 -0.153 0.000 2.083 463 L HA -0.057 4.284 4.340 0.001 0.000 0.209 463 L C 2.301 179.081 176.870 -0.150 0.000 1.083 463 L CA 2.068 56.844 54.840 -0.107 0.000 0.752 463 L CB -0.543 41.515 42.059 -0.003 0.000 0.899 463 L HN 0.240 nan 8.230 nan 0.000 0.433 464 A N -0.710 122.003 122.820 -0.177 0.000 1.972 464 A HA -0.036 4.284 4.320 0.001 0.000 0.219 464 A C 2.283 179.615 177.584 -0.421 0.000 1.169 464 A CA 1.431 53.314 52.037 -0.258 0.000 0.635 464 A CB -1.348 17.558 19.000 -0.158 0.000 0.810 464 A HN 0.524 nan 8.150 nan 0.000 0.446 465 G N -0.599 108.003 108.800 -0.330 0.000 2.396 465 G HA2 -0.113 3.847 3.960 0.001 0.000 0.214 465 G HA3 -0.113 3.847 3.960 0.001 0.000 0.214 465 G C 1.361 176.054 174.900 -0.345 0.000 1.166 465 G CA 0.695 45.581 45.100 -0.357 0.000 0.793 465 G HN 0.598 nan 8.290 nan 0.000 0.533 466 E N 0.739 120.777 120.200 -0.270 0.000 2.160 466 E HA -0.139 4.212 4.350 0.001 0.000 0.195 466 E C 2.090 178.561 176.600 -0.214 0.000 0.991 466 E CA 1.006 57.283 56.400 -0.205 0.000 0.810 466 E CB -0.210 29.403 29.700 -0.145 0.000 0.742 466 E HN 0.563 nan 8.360 nan 0.000 0.466 467 N N -0.086 118.425 118.700 -0.314 0.000 2.395 467 N HA 0.033 4.774 4.740 0.001 0.000 0.175 467 N C 1.778 176.939 175.510 -0.581 0.000 1.029 467 N CA 0.290 53.144 53.050 -0.327 0.000 0.897 467 N CB 0.100 38.438 38.487 -0.248 0.000 0.991 467 N HN 0.071 nan 8.380 nan 0.000 0.441 468 M N 0.132 119.211 119.600 -0.868 0.000 2.319 468 M HA -0.037 4.443 4.480 0.001 0.000 0.265 468 M C 1.158 177.382 176.300 -0.126 0.000 1.068 468 M CA 0.990 55.798 55.300 -0.819 0.000 1.118 468 M CB -0.143 32.113 32.600 -0.574 0.000 1.395 468 M HN 0.126 nan 8.290 nan 0.000 0.435 469 T N -2.776 111.707 114.554 -0.117 0.000 3.260 469 T HA 0.526 4.877 4.350 0.001 0.000 0.254 469 T C 1.103 175.796 174.700 -0.013 0.000 0.951 469 T CA 0.192 62.296 62.100 0.007 0.000 0.918 469 T CB 0.058 68.885 68.868 -0.068 0.000 1.098 469 T HN 0.589 nan 8.240 nan 0.000 0.563 470 G N 0.850 109.647 108.800 -0.004 0.000 2.284 470 G HA2 -0.314 3.647 3.960 0.001 0.000 0.247 470 G HA3 -0.314 3.647 3.960 0.001 0.000 0.247 470 G C 1.407 176.322 174.900 0.025 0.000 1.012 470 G CA 0.365 45.488 45.100 0.038 0.000 0.618 470 G HN 1.171 nan 8.290 nan 0.000 0.521 471 A N 0.650 123.461 122.820 -0.014 0.000 1.915 471 A HA 0.347 4.667 4.320 0.001 0.000 0.220 471 A C 2.509 180.105 177.584 0.020 0.000 1.198 471 A CA 3.194 55.225 52.037 -0.011 0.000 0.647 471 A CB -0.930 18.046 19.000 -0.040 0.000 0.825 471 A HN 2.716 nan 8.150 nan 0.000 0.456 472 A N -1.734 121.114 122.820 0.047 0.000 2.546 472 A HA -0.121 4.199 4.320 0.001 0.000 0.295 472 A C 0.037 177.664 177.584 0.071 0.000 1.455 472 A CA 1.307 53.399 52.037 0.091 0.000 0.730 472 A CB -2.033 17.023 19.000 0.094 0.000 1.111 472 A HN 0.627 nan 8.150 nan 0.000 0.411 473 K N 0.454 120.895 120.400 0.068 0.000 2.259 473 K HA 0.676 4.996 4.320 0.001 0.000 0.249 473 K C -2.900 173.767 176.600 0.112 0.000 0.942 473 K CA -2.182 54.140 56.287 0.059 0.000 0.816 473 K CB 1.953 34.469 32.500 0.025 0.000 1.155 473 K HN 0.259 nan 8.250 nan 0.000 0.428 474 P HA 0.038 nan 4.420 nan 0.000 0.277 474 P C -1.250 176.205 177.300 0.258 0.000 1.240 474 P CA -0.401 62.821 63.100 0.204 0.000 0.798 474 P CB 0.315 32.122 31.700 0.178 0.000 0.979 475 Y N 2.430 122.842 120.300 0.186 0.000 2.587 475 Y HA 0.191 4.741 4.550 0.000 0.000 0.344 475 Y C -0.341 175.747 175.900 0.314 0.000 1.061 475 Y CA 0.281 58.480 58.100 0.165 0.000 1.370 475 Y CB 0.026 38.514 38.460 0.046 0.000 1.163 475 Y HN 0.428 nan 8.280 nan 0.000 0.527 476 W N 9.435 130.577 121.300 -0.262 0.000 2.237 476 W HA 0.274 4.934 4.660 0.000 0.000 0.289 476 W C -1.836 174.559 176.519 -0.207 0.000 0.988 476 W CA -0.469 56.795 57.345 -0.136 0.000 1.671 476 W CB 0.360 29.788 29.460 -0.052 0.000 1.746 476 W HN 0.771 nan 8.180 nan 0.000 0.380 477 H N 1.395 120.135 119.070 -0.550 0.000 3.086 477 H HA 0.238 4.794 4.556 0.001 0.000 0.353 477 H C -1.397 173.785 175.328 -0.243 0.000 1.134 477 H CA -0.147 55.625 56.048 -0.460 0.000 1.248 477 H CB 1.629 31.029 29.762 -0.604 0.000 1.878 477 H HN 0.228 nan 8.280 nan 0.000 0.527 478 Q N 3.290 122.684 119.800 -0.677 0.000 2.421 478 Q HA 0.278 4.618 4.340 0.001 0.000 0.242 478 Q C -0.521 175.249 176.000 -0.384 0.000 1.024 478 Q CA -0.621 54.970 55.803 -0.354 0.000 0.891 478 Q CB 1.507 30.078 28.738 -0.279 0.000 1.222 478 Q HN 0.525 nan 8.270 nan 0.000 0.483 479 S N 3.390 119.151 115.700 0.102 0.000 2.564 479 S HA 0.414 4.885 4.470 0.001 0.000 0.278 479 S C -0.071 174.646 174.600 0.196 0.000 1.333 479 S CA -0.583 57.837 58.200 0.367 0.000 1.048 479 S CB 0.315 63.941 63.200 0.710 0.000 0.900 479 S HN 0.588 nan 8.310 nan 0.000 0.505 480 M N 4.218 123.902 119.600 0.140 0.000 2.423 480 M HA 0.675 5.156 4.480 0.001 0.000 0.335 480 M C -1.000 175.215 176.300 -0.142 0.000 1.177 480 M CA -0.722 54.591 55.300 0.021 0.000 1.038 480 M CB 1.212 33.859 32.600 0.078 0.000 1.641 480 M HN 0.561 nan 8.290 nan 0.000 0.455 481 F N 2.605 122.356 119.950 -0.331 0.000 2.541 481 F HA 0.886 5.414 4.527 0.001 0.000 0.331 481 F C -1.540 174.313 175.800 0.088 0.000 1.057 481 F CA -0.246 57.587 58.000 -0.279 0.000 0.975 481 F CB 1.537 40.323 39.000 -0.357 0.000 1.246 481 F HN 0.902 nan 8.300 nan 0.000 0.484 482 W N 2.963 123.621 121.300 -1.070 0.000 3.248 482 W HA 0.643 5.303 4.660 0.001 0.000 0.311 482 W C -2.148 173.788 176.519 -0.971 0.000 1.258 482 W CA -1.082 55.875 57.345 -0.647 0.000 1.191 482 W CB 0.805 30.097 29.460 -0.280 0.000 1.389 482 W HN 0.654 nan 8.180 nan 0.000 0.561 483 S N 1.723 117.152 115.700 -0.451 0.000 2.546 483 S HA 0.607 5.078 4.470 0.001 0.000 0.274 483 S C -1.900 172.865 174.600 0.274 0.000 1.121 483 S CA -0.643 57.388 58.200 -0.281 0.000 0.887 483 S CB 1.479 64.590 63.200 -0.148 0.000 1.094 483 S HN 0.486 nan 8.310 nan 0.000 0.474 484 D N 2.631 123.221 120.400 0.317 0.000 2.498 484 D HA 0.418 5.058 4.640 0.001 0.000 0.247 484 D C -0.826 175.673 176.300 0.331 0.000 1.070 484 D CA -0.268 53.953 54.000 0.368 0.000 0.842 484 D CB 1.635 42.688 40.800 0.422 0.000 1.361 484 D HN 0.490 nan 8.370 nan 0.000 0.484 485 L N 1.914 123.304 121.223 0.278 0.000 2.313 485 L HA 0.563 4.903 4.340 0.001 0.000 0.273 485 L C 0.954 177.850 176.870 0.044 0.000 1.028 485 L CA -0.529 54.450 54.840 0.232 0.000 0.871 485 L CB 0.815 43.064 42.059 0.318 0.000 1.242 485 L HN 0.605 nan 8.230 nan 0.000 0.434 486 G N 4.063 112.807 108.800 -0.093 0.000 2.860 486 G HA2 -0.183 3.777 3.960 0.001 0.000 0.553 486 G HA3 -0.183 3.777 3.960 0.001 0.000 0.553 486 G C -2.143 172.208 174.900 -0.914 0.000 1.439 486 G CA -0.507 44.298 45.100 -0.493 0.000 0.879 486 G HN 0.499 nan 8.290 nan 0.000 0.545 487 P HA 0.084 nan 4.420 nan 0.000 0.242 487 P C 0.536 177.439 177.300 -0.661 0.000 1.197 487 P CA 1.391 63.644 63.100 -1.412 0.000 0.765 487 P CB 0.158 31.206 31.700 -1.087 0.000 0.936 488 D N -0.647 119.507 120.400 -0.409 0.000 2.301 488 D HA 0.035 4.676 4.640 0.001 0.000 0.206 488 D C 0.494 176.735 176.300 -0.098 0.000 0.979 488 D CA 0.757 54.639 54.000 -0.198 0.000 0.874 488 D CB 0.311 41.045 40.800 -0.110 0.000 0.968 488 D HN 0.045 nan 8.370 nan 0.000 0.510 489 V N 0.007 119.880 119.914 -0.069 0.000 2.623 489 V HA 0.798 4.918 4.120 0.001 0.000 0.304 489 V C 0.185 176.289 176.094 0.017 0.000 1.054 489 V CA -0.994 61.321 62.300 0.024 0.000 0.882 489 V CB 1.952 33.880 31.823 0.175 0.000 1.002 489 V HN 0.061 nan 8.190 nan 0.000 0.424 490 G N 2.785 111.567 108.800 -0.031 0.000 2.667 490 G HA2 0.741 4.702 3.960 0.001 0.000 0.298 490 G HA3 0.741 4.702 3.960 0.001 0.000 0.298 490 G C -2.029 172.800 174.900 -0.117 0.000 1.377 490 G CA -0.531 44.608 45.100 0.065 0.000 0.964 490 G HN 0.445 nan 8.290 nan 0.000 0.493 491 Y N -0.011 120.442 120.300 0.254 0.000 2.485 491 Y HA 0.602 5.153 4.550 0.001 0.000 0.345 491 Y C 0.283 176.240 175.900 0.096 0.000 0.998 491 Y CA -1.050 57.161 58.100 0.185 0.000 1.059 491 Y CB 2.262 40.872 38.460 0.250 0.000 1.234 491 Y HN 0.439 nan 8.280 nan 0.000 0.461 492 E N 1.549 121.861 120.200 0.188 0.000 2.234 492 E HA 0.807 5.157 4.350 0.001 0.000 0.266 492 E C -1.268 175.400 176.600 0.113 0.000 0.877 492 E CA -1.188 55.294 56.400 0.136 0.000 0.758 492 E CB 2.496 32.221 29.700 0.040 0.000 1.170 492 E HN 0.676 nan 8.360 nan 0.000 0.415 493 A N 3.494 126.392 122.820 0.131 0.000 2.413 493 A HA 0.813 5.133 4.320 0.001 0.000 0.307 493 A C -1.071 176.545 177.584 0.054 0.000 1.087 493 A CA -0.700 51.384 52.037 0.079 0.000 0.750 493 A CB 1.564 20.613 19.000 0.082 0.000 1.296 493 A HN 0.565 nan 8.150 nan 0.000 0.423 494 I N 0.768 121.346 120.570 0.013 0.000 2.722 494 I HA 0.565 4.736 4.170 0.001 0.000 0.292 494 I C 0.476 176.591 176.117 -0.003 0.000 1.267 494 I CA 1.240 62.553 61.300 0.022 0.000 1.036 494 I CB 1.355 39.366 38.000 0.019 0.000 1.281 494 I HN 1.756 nan 8.210 nan 0.000 0.423 495 G N 6.014 114.825 108.800 0.019 0.000 2.553 495 G HA2 -0.247 3.713 3.960 0.001 0.000 0.242 495 G HA3 -0.247 3.713 3.960 0.001 0.000 0.242 495 G C -0.917 173.950 174.900 -0.055 0.000 1.277 495 G CA -0.053 45.041 45.100 -0.011 0.000 0.910 495 G HN 0.732 nan 8.290 nan 0.000 0.576 496 L N 0.804 121.982 121.223 -0.076 0.000 2.315 496 L HA 0.582 4.922 4.340 0.001 0.000 0.283 496 L C 0.623 177.357 176.870 -0.227 0.000 1.089 496 L CA 0.045 54.818 54.840 -0.111 0.000 0.833 496 L CB 1.055 43.077 42.059 -0.063 0.000 1.170 496 L HN 1.359 nan 8.230 nan 0.000 0.442 497 V N 1.554 121.282 119.914 -0.312 0.000 2.419 497 V HA 0.638 4.758 4.120 0.001 0.000 0.287 497 V C -1.084 174.817 176.094 -0.322 0.000 1.017 497 V CA -0.633 61.289 62.300 -0.629 0.000 0.844 497 V CB 1.321 32.655 31.823 -0.815 0.000 1.011 497 V HN 0.717 nan 8.190 nan 0.000 0.429 498 D N 3.290 123.612 120.400 -0.130 0.000 2.780 498 D HA 0.452 5.093 4.640 0.001 0.000 0.242 498 D C 1.212 177.625 176.300 0.188 0.000 1.135 498 D CA 0.222 54.231 54.000 0.014 0.000 0.859 498 D CB 2.857 43.660 40.800 0.005 0.000 1.530 498 D HN 0.616 nan 8.370 nan 0.000 0.493 499 S N 1.335 117.113 115.700 0.131 0.000 2.488 499 S HA -0.168 4.302 4.470 0.001 0.000 0.246 499 S C 1.202 175.827 174.600 0.043 0.000 0.992 499 S CA 1.301 59.556 58.200 0.093 0.000 0.963 499 S CB -0.401 62.794 63.200 -0.007 0.000 0.754 499 S HN 0.355 nan 8.310 nan 0.000 0.519 500 S N 0.823 116.553 115.700 0.051 0.000 2.575 500 S HA 0.390 4.860 4.470 0.001 0.000 0.215 500 S C 0.528 175.153 174.600 0.042 0.000 0.966 500 S CA -0.479 57.738 58.200 0.029 0.000 0.911 500 S CB -0.315 62.896 63.200 0.018 0.000 0.780 500 S HN 0.436 nan 8.310 nan 0.000 0.514 501 L N 2.362 123.635 121.223 0.084 0.000 2.395 501 L HA 0.350 4.690 4.340 0.001 0.000 0.269 501 L C -2.560 174.330 176.870 0.034 0.000 1.133 501 L CA -2.174 52.718 54.840 0.087 0.000 0.812 501 L CB 0.009 42.177 42.059 0.180 0.000 1.125 501 L HN -0.079 nan 8.230 nan 0.000 0.452 502 P HA 0.056 nan 4.420 nan 0.000 0.266 502 P C -0.519 176.768 177.300 -0.022 0.000 1.215 502 P CA 0.232 63.334 63.100 0.003 0.000 0.763 502 P CB 0.684 32.393 31.700 0.016 0.000 0.806 503 T N 2.365 116.875 114.554 -0.072 0.000 2.907 503 T HA 0.590 4.940 4.350 0.001 0.000 0.292 503 T C -1.301 173.363 174.700 -0.059 0.000 1.043 503 T CA -0.639 61.364 62.100 -0.162 0.000 1.003 503 T CB 0.881 69.493 68.868 -0.427 0.000 1.084 503 T HN -0.024 nan 8.240 nan 0.000 0.483 504 V N 2.965 122.873 119.914 -0.011 0.000 2.569 504 V HA 0.767 4.887 4.120 0.001 0.000 0.301 504 V C 0.489 176.658 176.094 0.126 0.000 1.044 504 V CA -0.702 61.647 62.300 0.081 0.000 0.874 504 V CB 1.640 33.521 31.823 0.098 0.000 1.002 504 V HN 1.102 nan 8.190 nan 0.000 0.424 505 G N 3.114 111.988 108.800 0.123 0.000 2.461 505 G HA2 0.691 4.652 3.960 0.001 0.000 0.323 505 G HA3 0.691 4.652 3.960 0.001 0.000 0.323 505 G C -1.276 173.622 174.900 -0.002 0.000 1.229 505 G CA -0.588 44.520 45.100 0.014 0.000 0.941 505 G HN 0.585 nan 8.290 nan 0.000 0.477 506 V N 1.714 121.420 119.914 -0.347 0.000 2.531 506 V HA 0.652 4.773 4.120 0.001 0.000 0.301 506 V C -0.963 174.906 176.094 -0.375 0.000 1.034 506 V CA -0.714 61.505 62.300 -0.135 0.000 0.865 506 V CB 0.928 32.764 31.823 0.022 0.000 0.995 506 V HN 0.600 nan 8.190 nan 0.000 0.424 507 F N 1.913 121.897 119.950 0.056 0.000 2.611 507 F HA 0.977 5.505 4.527 0.001 0.000 0.324 507 F C 0.389 176.354 175.800 0.275 0.000 1.061 507 F CA -0.592 57.496 58.000 0.147 0.000 0.954 507 F CB 2.199 41.236 39.000 0.062 0.000 1.301 507 F HN 0.700 nan 8.300 nan 0.000 0.482 508 A N 0.392 123.515 122.820 0.504 0.000 2.581 508 A HA 0.622 4.942 4.320 0.001 0.000 0.290 508 A C -1.521 176.139 177.584 0.126 0.000 1.119 508 A CA -1.117 51.097 52.037 0.295 0.000 0.670 508 A CB 1.272 20.375 19.000 0.171 0.000 1.280 508 A HN 0.645 nan 8.150 nan 0.000 0.425 509 K N 1.034 121.409 120.400 -0.042 0.000 2.383 509 K HA 0.432 4.753 4.320 0.001 0.000 0.286 509 K C 0.375 176.940 176.600 -0.059 0.000 1.051 509 K CA 0.310 56.537 56.287 -0.101 0.000 0.974 509 K CB 0.910 33.336 32.500 -0.124 0.000 0.968 509 K HN 0.821 nan 8.250 nan 0.000 0.475 510 A N 3.265 126.037 122.820 -0.080 0.000 2.498 510 A HA 0.059 4.379 4.320 0.001 0.000 0.239 510 A C 0.433 177.979 177.584 -0.063 0.000 1.068 510 A CA 0.152 52.132 52.037 -0.095 0.000 0.766 510 A CB 0.463 19.378 19.000 -0.142 0.000 1.003 510 A HN 0.678 nan 8.150 nan 0.000 0.497 511 T N 0.846 115.372 114.554 -0.048 0.000 2.881 511 T HA 0.474 4.824 4.350 0.001 0.000 0.278 511 T C 1.727 176.406 174.700 -0.036 0.000 0.982 511 T CA 0.294 62.373 62.100 -0.034 0.000 0.989 511 T CB 1.007 69.864 68.868 -0.018 0.000 1.058 511 T HN 1.151 nan 8.240 nan 0.000 0.529 512 A N 1.663 124.462 122.820 -0.034 0.000 1.909 512 A HA -0.220 4.101 4.320 0.001 0.000 0.221 512 A C 1.795 179.352 177.584 -0.045 0.000 1.223 512 A CA 2.176 54.190 52.037 -0.038 0.000 0.658 512 A CB -0.852 18.128 19.000 -0.033 0.000 0.831 512 A HN 0.874 nan 8.150 nan 0.000 0.462 513 Q N -0.078 119.701 119.800 -0.035 0.000 2.247 513 Q HA 0.130 4.470 4.340 0.001 0.000 0.205 513 Q C -0.745 175.243 176.000 -0.020 0.000 0.896 513 Q CA 0.133 55.908 55.803 -0.047 0.000 0.950 513 Q CB 0.364 29.082 28.738 -0.034 0.000 1.054 513 Q HN 0.483 nan 8.270 nan 0.000 0.482 514 D N 2.336 122.740 120.400 0.007 0.000 2.943 514 D HA 0.094 4.734 4.640 0.001 0.000 0.249 514 D C -0.455 175.899 176.300 0.090 0.000 1.231 514 D CA 0.040 54.096 54.000 0.093 0.000 0.979 514 D CB -0.211 40.587 40.800 -0.002 0.000 1.053 514 D HN 0.327 nan 8.370 nan 0.000 0.504 515 N N -1.583 117.134 118.700 0.028 0.000 2.927 515 N HA 0.224 4.965 4.740 0.001 0.000 0.248 515 N C -2.762 172.469 175.510 -0.465 0.000 1.443 515 N CA -1.305 51.703 53.050 -0.070 0.000 0.870 515 N CB 1.811 40.209 38.487 -0.148 0.000 1.444 515 N HN -0.327 nan 8.380 nan 0.000 0.519 516 P HA -0.038 nan 4.420 nan 0.000 0.221 516 P C 1.325 178.439 177.300 -0.310 0.000 1.150 516 P CA 1.370 64.213 63.100 -0.428 0.000 0.800 516 P CB 0.392 32.021 31.700 -0.117 0.000 0.787 517 K N -0.086 120.114 120.400 -0.333 0.000 2.057 517 K HA -0.053 4.268 4.320 0.001 0.000 0.207 517 K C 1.826 178.347 176.600 -0.132 0.000 1.049 517 K CA 1.533 57.726 56.287 -0.157 0.000 0.931 517 K CB -0.463 31.925 32.500 -0.187 0.000 0.714 517 K HN -0.103 nan 8.250 nan 0.000 0.440 518 S N -0.548 115.023 115.700 -0.215 0.000 2.607 518 S HA 0.098 4.568 4.470 0.001 0.000 0.224 518 S C 1.150 175.615 174.600 -0.225 0.000 0.969 518 S CA 0.532 58.623 58.200 -0.181 0.000 0.927 518 S CB 0.367 63.473 63.200 -0.157 0.000 0.772 518 S HN 0.490 nan 8.310 nan 0.000 0.533 519 A N 0.134 122.748 122.820 -0.342 0.000 2.192 519 A HA 0.198 4.518 4.320 0.001 0.000 0.208 519 A C 2.005 179.474 177.584 -0.192 0.000 1.220 519 A CA 0.398 52.226 52.037 -0.348 0.000 0.900 519 A CB -0.445 18.113 19.000 -0.737 0.000 0.937 519 A HN 0.358 nan 8.150 nan 0.000 0.487 520 T N 0.357 114.836 114.554 -0.125 0.000 2.770 520 T HA -0.106 4.245 4.350 0.001 0.000 0.263 520 T C 1.729 176.409 174.700 -0.034 0.000 1.039 520 T CA 1.775 63.857 62.100 -0.030 0.000 1.142 520 T CB -0.161 68.766 68.868 0.098 0.000 0.868 520 T HN 0.602 nan 8.240 nan 0.000 0.435 521 E N 1.023 121.201 120.200 -0.037 0.000 2.058 521 E HA -0.153 4.197 4.350 0.001 0.000 0.194 521 E C 2.402 178.976 176.600 -0.043 0.000 0.997 521 E CA 1.047 57.427 56.400 -0.033 0.000 0.801 521 E CB -0.093 29.585 29.700 -0.036 0.000 0.746 521 E HN 0.483 nan 8.360 nan 0.000 0.450 522 Q N -0.445 119.318 119.800 -0.062 0.000 2.369 522 Q HA -0.070 4.271 4.340 0.001 0.000 0.206 522 Q C 1.878 177.852 176.000 -0.044 0.000 0.963 522 Q CA 1.337 57.108 55.803 -0.052 0.000 0.894 522 Q CB 0.286 28.987 28.738 -0.061 0.000 0.965 522 Q HN 0.213 nan 8.270 nan 0.000 0.475 523 S N -3.110 112.560 115.700 -0.050 0.000 2.593 523 S HA 0.255 4.725 4.470 0.001 0.000 0.235 523 S C 1.286 175.862 174.600 -0.039 0.000 1.059 523 S CA 0.457 58.631 58.200 -0.043 0.000 0.953 523 S CB 1.125 64.293 63.200 -0.053 0.000 0.897 523 S HN 0.368 nan 8.310 nan 0.000 0.507 524 G N 0.561 109.337 108.800 -0.039 0.000 2.157 524 G HA2 -0.183 3.778 3.960 0.001 0.000 0.248 524 G HA3 -0.183 3.778 3.960 0.001 0.000 0.248 524 G C 0.078 174.955 174.900 -0.038 0.000 0.979 524 G CA 0.415 45.494 45.100 -0.035 0.000 0.650 524 G HN 1.042 nan 8.290 nan 0.000 0.529 525 T N -1.419 113.109 114.554 -0.044 0.000 2.900 525 T HA 0.620 4.971 4.350 0.001 0.000 0.295 525 T C 1.001 175.665 174.700 -0.059 0.000 1.044 525 T CA 0.729 62.801 62.100 -0.046 0.000 0.995 525 T CB 1.459 70.297 68.868 -0.050 0.000 1.072 525 T HN 1.054 nan 8.240 nan 0.000 0.473 526 G N 2.977 111.748 108.800 -0.048 0.000 3.523 526 G HA2 0.317 4.277 3.960 0.001 0.000 0.270 526 G HA3 0.317 4.277 3.960 0.001 0.000 0.270 526 G C 0.026 174.851 174.900 -0.126 0.000 1.134 526 G CA -0.166 44.885 45.100 -0.083 0.000 0.825 526 G HN 0.587 nan 8.290 nan 0.000 0.534 527 I N 0.891 121.350 120.570 -0.184 0.000 2.371 527 I HA 0.386 4.556 4.170 0.001 0.000 0.282 527 I C 1.082 176.839 176.117 -0.601 0.000 1.031 527 I CA -0.924 60.168 61.300 -0.346 0.000 1.180 527 I CB 1.551 39.463 38.000 -0.147 0.000 1.336 527 I HN -0.038 nan 8.210 nan 0.000 0.467 528 R N 3.743 123.478 120.500 -1.274 0.000 2.091 528 R HA -0.156 4.184 4.340 0.001 0.000 0.238 528 R C 2.220 178.163 176.300 -0.596 0.000 1.136 528 R CA 2.184 57.673 56.100 -1.018 0.000 0.959 528 R CB -0.209 29.197 30.300 -1.491 0.000 0.856 528 R HN 0.719 nan 8.270 nan 0.000 0.437 529 S N -0.136 115.193 115.700 -0.619 0.000 2.419 529 S HA -0.157 4.313 4.470 0.001 0.000 0.235 529 S C 1.696 176.253 174.600 -0.073 0.000 1.019 529 S CA 1.338 59.447 58.200 -0.153 0.000 0.982 529 S CB -0.269 62.988 63.200 0.095 0.000 0.789 529 S HN 0.435 nan 8.310 nan 0.000 0.490 530 E N 1.373 121.507 120.200 -0.110 0.000 2.076 530 E HA -0.076 4.274 4.350 0.001 0.000 0.190 530 E C 2.500 179.067 176.600 -0.055 0.000 0.979 530 E CA 1.168 57.543 56.400 -0.042 0.000 0.807 530 E CB -0.151 29.538 29.700 -0.018 0.000 0.761 530 E HN 0.787 nan 8.360 nan 0.000 0.454 531 S N 1.076 116.716 115.700 -0.099 0.000 2.371 531 S HA -0.110 4.360 4.470 0.001 0.000 0.224 531 S C 1.820 176.398 174.600 -0.038 0.000 1.029 531 S CA 0.668 58.827 58.200 -0.070 0.000 0.978 531 S CB -0.089 63.056 63.200 -0.092 0.000 0.833 531 S HN 0.080 nan 8.310 nan 0.000 0.466 532 E N 1.828 122.003 120.200 -0.042 0.000 2.204 532 E HA 0.023 4.374 4.350 0.001 0.000 0.194 532 E C 1.296 177.900 176.600 0.006 0.000 0.989 532 E CA 1.220 57.617 56.400 -0.005 0.000 0.824 532 E CB -0.879 28.818 29.700 -0.006 0.000 0.756 532 E HN 0.932 nan 8.360 nan 0.000 0.477 533 T N -1.807 112.749 114.554 0.003 0.000 0.541 533 T HA -0.211 4.139 4.350 0.001 0.000 0.774 533 T C 0.374 175.104 174.700 0.050 0.000 0.992 533 T CA 0.672 62.784 62.100 0.020 0.000 4.077 533 T CB -0.880 67.998 68.868 0.016 0.000 2.303 533 T HN 0.202 nan 8.240 nan 0.000 0.398 534 E N 0.067 120.308 120.200 0.069 0.000 2.562 534 E HA 0.334 4.684 4.350 0.001 0.000 0.214 534 E C 1.038 177.696 176.600 0.097 0.000 0.979 534 E CA 0.193 56.678 56.400 0.143 0.000 1.002 534 E CB 0.776 30.575 29.700 0.165 0.000 1.048 534 E HN 0.863 nan 8.360 nan 0.000 0.488 535 S N 0.771 116.500 115.700 0.049 0.000 2.626 535 S HA 0.118 4.588 4.470 0.001 0.000 0.257 535 S C 0.476 175.081 174.600 0.009 0.000 1.288 535 S CA -0.409 57.810 58.200 0.031 0.000 0.980 535 S CB 1.034 64.247 63.200 0.022 0.000 0.975 535 S HN 0.148 nan 8.310 nan 0.000 0.577 536 E N -0.067 120.138 120.200 0.009 0.000 3.909 536 E HA 0.436 4.786 4.350 0.001 0.000 0.236 536 E C -0.445 176.157 176.600 0.003 0.000 1.222 536 E CA -0.416 55.981 56.400 -0.005 0.000 1.205 536 E CB 0.261 29.956 29.700 -0.008 0.000 1.249 536 E HN 1.048 nan 8.360 nan 0.000 0.411 537 A N 1.703 124.521 122.820 -0.003 0.000 1.984 537 A HA -0.240 4.080 4.320 0.001 0.000 0.335 537 A C 1.559 179.143 177.584 0.000 0.000 0.768 537 A CA 1.144 53.176 52.037 -0.008 0.000 1.493 537 A CB -0.665 18.319 19.000 -0.026 0.000 0.622 537 A HN 0.813 nan 8.150 nan 0.000 0.227 538 S N 2.012 117.714 115.700 0.004 0.000 2.368 538 S HA -0.152 4.318 4.470 0.001 0.000 0.226 538 S C 0.623 175.229 174.600 0.009 0.000 1.044 538 S CA 1.822 60.029 58.200 0.011 0.000 1.062 538 S CB -0.190 63.016 63.200 0.008 0.000 0.931 538 S HN 0.861 nan 8.310 nan 0.000 0.440 539 E N 0.063 120.263 120.200 -0.001 0.000 2.393 539 E HA 0.640 4.991 4.350 0.001 0.000 0.273 539 E C -1.152 175.439 176.600 -0.015 0.000 0.918 539 E CA -0.726 55.673 56.400 -0.002 0.000 0.773 539 E CB 2.277 31.977 29.700 -0.001 0.000 1.275 539 E HN 0.492 nan 8.360 nan 0.000 0.451 540 I N -0.405 120.158 120.570 -0.012 0.000 2.464 540 I HA 0.437 4.607 4.170 0.001 0.000 0.277 540 I C -0.321 175.780 176.117 -0.027 0.000 1.040 540 I CA -0.592 60.690 61.300 -0.029 0.000 1.153 540 I CB 0.840 38.830 38.000 -0.017 0.000 1.274 540 I HN 0.352 nan 8.210 nan 0.000 0.469 559 Y N -0.201 120.151 120.300 0.086 0.000 2.313 559 Y HA 0.455 5.005 4.550 0.001 0.000 0.320 559 Y C 0.704 176.630 175.900 0.044 0.000 1.171 559 Y CA -0.519 57.633 58.100 0.087 0.000 1.093 559 Y CB 2.334 40.849 38.460 0.091 0.000 1.224 559 Y HN 0.550 nan 8.280 nan 0.000 0.421 560 G N 2.620 111.409 108.800 -0.019 0.000 2.775 560 G HA2 0.100 4.060 3.960 0.001 0.000 0.198 560 G HA3 0.100 4.060 3.960 0.001 0.000 0.198 560 G C -0.216 173.995 174.900 -1.148 0.000 1.121 560 G CA -0.274 44.523 45.100 -0.505 0.000 0.686 560 G HN 0.384 nan 8.290 nan 0.000 0.782 561 K N -0.401 119.686 120.400 -0.521 0.000 2.221 561 K HA 0.799 5.120 4.320 0.001 0.000 0.243 561 K C -0.389 176.226 176.600 0.025 0.000 0.968 561 K CA -0.520 55.508 56.287 -0.432 0.000 0.846 561 K CB 2.428 34.780 32.500 -0.246 0.000 1.141 561 K HN 0.345 nan 8.250 nan 0.000 0.434 562 G N -0.067 108.767 108.800 0.057 0.000 2.387 562 G HA2 0.383 4.343 3.960 0.001 0.000 0.294 562 G HA3 0.383 4.343 3.960 0.001 0.000 0.294 562 G C -2.070 172.596 174.900 -0.389 0.000 1.509 562 G CA -0.533 44.456 45.100 -0.185 0.000 0.806 562 G HN 0.634 nan 8.290 nan 0.000 0.546 563 V N 0.473 119.995 119.914 -0.654 0.000 2.769 563 V HA 0.876 4.996 4.120 0.001 0.000 0.312 563 V C -0.851 174.746 176.094 -0.829 0.000 1.061 563 V CA -1.071 60.761 62.300 -0.781 0.000 0.931 563 V CB 1.601 32.745 31.823 -1.131 0.000 1.010 563 V HN 0.685 nan 8.190 nan 0.000 0.433 564 I N 6.166 126.303 120.570 -0.722 0.000 2.447 564 I HA 0.453 4.623 4.170 0.001 0.000 0.287 564 I C -1.281 174.545 176.117 -0.484 0.000 1.023 564 I CA -0.220 60.787 61.300 -0.489 0.000 1.083 564 I CB 1.699 39.560 38.000 -0.232 0.000 1.245 564 I HN 0.479 nan 8.210 nan 0.000 0.434 565 F N 5.427 125.303 119.950 -0.123 0.000 2.415 565 F HA 0.430 4.957 4.527 0.001 0.000 0.348 565 F C -0.358 175.417 175.800 -0.041 0.000 1.119 565 F CA -0.697 57.296 58.000 -0.012 0.000 1.069 565 F CB 0.604 39.590 39.000 -0.023 0.000 1.124 565 F HN 0.246 nan 8.300 nan 0.000 0.472 566 Y N 4.087 124.465 120.300 0.129 0.000 2.350 566 Y HA 0.526 5.076 4.550 0.000 0.000 0.340 566 Y C 0.017 175.971 175.900 0.091 0.000 1.006 566 Y CA -0.754 57.394 58.100 0.081 0.000 1.166 566 Y CB 0.548 39.029 38.460 0.035 0.000 1.168 566 Y HN 0.377 nan 8.280 nan 0.000 0.502 567 L N 4.645 125.969 121.223 0.169 0.000 2.332 567 L HA 0.794 5.134 4.340 0.001 0.000 0.269 567 L C -0.343 176.583 176.870 0.095 0.000 1.016 567 L CA -1.278 53.633 54.840 0.118 0.000 0.809 567 L CB 2.015 44.119 42.059 0.075 0.000 1.280 567 L HN 0.588 nan 8.230 nan 0.000 0.447 568 R N -0.292 120.251 120.500 0.071 0.000 2.535 568 R HA 0.341 4.681 4.340 0.001 0.000 0.274 568 R C -1.083 175.240 176.300 0.037 0.000 1.090 568 R CA -0.588 55.542 56.100 0.050 0.000 0.930 568 R CB 1.606 31.935 30.300 0.048 0.000 1.223 568 R HN 0.746 nan 8.270 nan 0.000 0.441 569 D N 1.843 122.260 120.400 0.028 0.000 2.978 569 D HA -0.217 4.423 4.640 0.001 0.000 0.205 569 D C -0.467 175.842 176.300 0.015 0.000 1.093 569 D CA 1.772 55.783 54.000 0.019 0.000 1.006 569 D CB -0.405 40.406 40.800 0.018 0.000 1.116 569 D HN 0.920 nan 8.370 nan 0.000 0.419 570 K N -2.017 118.396 120.400 0.021 0.000 3.424 570 K HA -0.157 4.164 4.320 0.001 0.000 0.297 570 K C -0.638 175.973 176.600 0.018 0.000 1.365 570 K CA 0.622 56.919 56.287 0.017 0.000 0.889 570 K CB -1.310 31.193 32.500 0.004 0.000 1.455 570 K HN 0.164 nan 8.250 nan 0.000 0.483 571 V N 1.690 121.622 119.914 0.029 0.000 2.459 571 V HA 0.282 4.403 4.120 0.001 0.000 0.295 571 V C 0.487 176.626 176.094 0.074 0.000 1.029 571 V CA -0.882 61.441 62.300 0.038 0.000 0.874 571 V CB 1.946 33.781 31.823 0.020 0.000 0.985 571 V HN 0.024 nan 8.190 nan 0.000 0.438 572 V N 6.313 126.293 119.914 0.109 0.000 2.479 572 V HA 0.078 4.199 4.120 0.001 0.000 0.281 572 V C 1.001 177.175 176.094 0.134 0.000 1.031 572 V CA 0.624 63.017 62.300 0.154 0.000 1.038 572 V CB 1.148 33.096 31.823 0.209 0.000 0.981 572 V HN 0.845 nan 8.190 nan 0.000 0.478 573 V N 2.013 122.008 119.914 0.134 0.000 3.570 573 V HA 0.627 4.748 4.120 0.001 0.000 0.257 573 V C 0.767 176.904 176.094 0.070 0.000 1.272 573 V CA 0.786 63.137 62.300 0.085 0.000 1.079 573 V CB 0.255 32.114 31.823 0.060 0.000 0.829 573 V HN 0.826 nan 8.190 nan 0.000 0.454 574 G N 0.060 108.931 108.800 0.119 0.000 2.667 574 G HA2 0.765 4.726 3.960 0.001 0.000 0.298 574 G HA3 0.765 4.726 3.960 0.001 0.000 0.298 574 G C -1.624 173.363 174.900 0.146 0.000 1.377 574 G CA -0.719 44.400 45.100 0.031 0.000 0.964 574 G HN 0.193 nan 8.290 nan 0.000 0.493 575 I N 0.978 121.575 120.570 0.045 0.000 2.569 575 I HA 0.363 4.534 4.170 0.001 0.000 0.290 575 I C -0.506 175.596 176.117 -0.024 0.000 1.088 575 I CA -1.032 60.284 61.300 0.027 0.000 1.047 575 I CB 2.517 40.487 38.000 -0.049 0.000 1.237 575 I HN 0.174 nan 8.210 nan 0.000 0.421 576 V N 6.712 126.635 119.914 0.016 0.000 2.612 576 V HA 0.504 4.624 4.120 0.001 0.000 0.301 576 V C -0.170 175.849 176.094 -0.126 0.000 1.046 576 V CA -0.533 61.778 62.300 0.018 0.000 0.946 576 V CB 2.105 34.024 31.823 0.161 0.000 1.003 576 V HN 0.447 nan 8.190 nan 0.000 0.459 577 L N 3.294 124.480 121.223 -0.063 0.000 2.362 577 L HA 0.495 4.835 4.340 0.001 0.000 0.275 577 L C -1.502 175.373 176.870 0.008 0.000 0.998 577 L CA -0.372 54.381 54.840 -0.145 0.000 0.820 577 L CB 2.172 44.112 42.059 -0.197 0.000 1.270 577 L HN 0.728 nan 8.230 nan 0.000 0.415 578 W N 5.383 126.520 121.300 -0.273 0.000 2.393 578 W HA 0.372 5.033 4.660 0.001 0.000 0.315 578 W C 0.176 176.520 176.519 -0.291 0.000 1.009 578 W CA -0.798 56.403 57.345 -0.240 0.000 1.313 578 W CB 0.611 29.977 29.460 -0.157 0.000 1.269 578 W HN 0.559 nan 8.180 nan 0.000 0.420 579 N N 2.982 121.368 118.700 -0.522 0.000 2.721 579 N HA -0.191 4.549 4.740 0.001 0.000 0.249 579 N C -1.118 174.110 175.510 -0.469 0.000 1.072 579 N CA 1.161 53.907 53.050 -0.507 0.000 0.710 579 N CB -1.514 36.682 38.487 -0.484 0.000 0.993 579 N HN 0.194 nan 8.380 nan 0.000 0.547 580 V N 0.964 120.456 119.914 -0.704 0.000 2.448 580 V HA 0.646 4.767 4.120 0.001 0.000 0.295 580 V C -0.098 175.590 176.094 -0.677 0.000 1.025 580 V CA -0.517 61.535 62.300 -0.413 0.000 0.859 580 V CB 1.328 33.033 31.823 -0.198 0.000 0.988 580 V HN 0.100 nan 8.190 nan 0.000 0.431 581 F N 2.030 121.986 119.950 0.009 0.000 2.576 581 F HA 0.460 4.988 4.527 0.001 0.000 0.313 581 F C 0.570 176.376 175.800 0.010 0.000 1.078 581 F CA -1.103 56.897 58.000 -0.001 0.000 0.921 581 F CB 1.708 40.691 39.000 -0.029 0.000 1.232 581 F HN 0.650 nan 8.300 nan 0.000 0.459 582 N N 1.325 120.134 118.700 0.182 0.000 2.746 582 N HA -0.183 4.558 4.740 0.001 0.000 0.250 582 N C -0.099 175.452 175.510 0.068 0.000 1.055 582 N CA 0.165 53.273 53.050 0.098 0.000 0.699 582 N CB -0.540 37.995 38.487 0.080 0.000 0.919 582 N HN 0.503 nan 8.380 nan 0.000 0.548 583 R N -0.809 119.736 120.500 0.075 0.000 2.555 583 R HA 0.179 4.519 4.340 0.001 0.000 0.312 583 R C 1.470 177.815 176.300 0.076 0.000 0.938 583 R CA -0.292 55.840 56.100 0.053 0.000 1.112 583 R CB -0.269 30.101 30.300 0.116 0.000 1.535 583 R HN 0.217 nan 8.270 nan 0.000 0.525 584 M N 2.797 122.446 119.600 0.081 0.000 2.108 584 M HA -0.066 4.414 4.480 0.001 0.000 0.257 584 M C -1.157 175.167 176.300 0.040 0.000 1.071 584 M CA 1.755 57.097 55.300 0.070 0.000 1.093 584 M CB -1.151 31.475 32.600 0.044 0.000 1.345 584 M HN -0.149 nan 8.290 nan 0.000 0.403 585 P HA -0.237 nan 4.420 nan 0.000 0.219 585 P C 1.627 178.923 177.300 -0.006 0.000 1.159 585 P CA 2.035 65.135 63.100 -0.000 0.000 0.944 585 P CB -0.307 31.389 31.700 -0.007 0.000 0.792 586 I N -1.026 119.527 120.570 -0.029 0.000 2.286 586 I HA -0.212 3.958 4.170 0.001 0.000 0.248 586 I C 2.415 178.546 176.117 0.025 0.000 1.115 586 I CA 1.642 62.903 61.300 -0.065 0.000 1.392 586 I CB -1.191 36.672 38.000 -0.229 0.000 1.065 586 I HN -0.108 nan 8.210 nan 0.000 0.418 587 A N 0.576 123.473 122.820 0.129 0.000 1.978 587 A HA -0.200 4.121 4.320 0.001 0.000 0.220 587 A C 2.458 180.112 177.584 0.117 0.000 1.170 587 A CA 1.521 53.698 52.037 0.234 0.000 0.636 587 A CB -0.516 18.625 19.000 0.235 0.000 0.810 587 A HN 0.341 nan 8.150 nan 0.000 0.448 588 R N -0.751 119.777 120.500 0.046 0.000 2.073 588 R HA -0.105 4.235 4.340 0.001 0.000 0.229 588 R C 2.302 178.599 176.300 -0.005 0.000 1.120 588 R CA 1.495 57.587 56.100 -0.012 0.000 0.967 588 R CB -0.277 29.985 30.300 -0.064 0.000 0.862 588 R HN 0.469 nan 8.270 nan 0.000 0.436 589 K N 1.637 122.043 120.400 0.010 0.000 1.978 589 K HA -0.142 4.179 4.320 0.001 0.000 0.214 589 K C 1.870 178.499 176.600 0.048 0.000 1.049 589 K CA 1.579 57.876 56.287 0.018 0.000 0.939 589 K CB -0.559 31.949 32.500 0.013 0.000 0.721 589 K HN 0.041 nan 8.250 nan 0.000 0.441 590 I N 0.383 121.004 120.570 0.085 0.000 2.143 590 I HA -0.352 3.818 4.170 0.001 0.000 0.245 590 I C 2.302 178.499 176.117 0.133 0.000 1.068 590 I CA 1.728 63.113 61.300 0.142 0.000 1.326 590 I CB -0.283 37.839 38.000 0.204 0.000 1.028 590 I HN 0.235 nan 8.210 nan 0.000 0.412 591 I N -0.279 120.351 120.570 0.100 0.000 2.333 591 I HA -0.224 3.947 4.170 0.001 0.000 0.246 591 I C 2.527 178.653 176.117 0.015 0.000 1.106 591 I CA 0.869 62.208 61.300 0.065 0.000 1.411 591 I CB -0.193 37.834 38.000 0.046 0.000 1.082 591 I HN 0.106 nan 8.210 nan 0.000 0.420 592 K N 1.505 121.896 120.400 -0.016 0.000 1.985 592 K HA -0.225 4.095 4.320 0.001 0.000 0.210 592 K C 1.528 178.126 176.600 -0.002 0.000 1.047 592 K CA 1.936 58.192 56.287 -0.052 0.000 0.932 592 K CB -0.477 31.975 32.500 -0.080 0.000 0.716 592 K HN 0.071 nan 8.250 nan 0.000 0.439 593 D N -0.595 119.820 120.400 0.025 0.000 2.311 593 D HA -0.022 4.618 4.640 0.001 0.000 0.212 593 D C 0.521 176.837 176.300 0.026 0.000 0.972 593 D CA 1.349 55.370 54.000 0.035 0.000 0.887 593 D CB -0.269 40.559 40.800 0.046 0.000 0.915 593 D HN 0.528 nan 8.370 nan 0.000 0.497 594 G N 0.719 109.539 108.800 0.033 0.000 2.416 594 G HA2 -0.328 3.633 3.960 0.001 0.000 0.301 594 G HA3 -0.328 3.633 3.960 0.001 0.000 0.301 594 G C 0.049 174.941 174.900 -0.013 0.000 0.985 594 G CA 0.275 45.388 45.100 0.022 0.000 0.934 594 G HN 0.219 nan 8.290 nan 0.000 0.513 595 E N 0.082 120.256 120.200 -0.044 0.000 2.366 595 E HA 0.204 4.554 4.350 0.001 0.000 0.266 595 E C 1.041 177.446 176.600 -0.325 0.000 1.051 595 E CA -0.203 56.074 56.400 -0.205 0.000 0.884 595 E CB 0.590 30.103 29.700 -0.312 0.000 1.006 595 E HN 0.619 nan 8.360 nan 0.000 0.417 596 Q N 1.090 120.701 119.800 -0.315 0.000 2.368 596 Q HA 0.222 4.562 4.340 0.001 0.000 0.237 596 Q C -0.523 175.169 176.000 -0.515 0.000 0.987 596 Q CA 0.188 55.834 55.803 -0.262 0.000 0.896 596 Q CB 0.485 29.141 28.738 -0.136 0.000 1.241 596 Q HN 0.422 nan 8.270 nan 0.000 0.485 597 H N 0.081 119.119 119.070 -0.054 0.000 3.108 597 H HA 0.093 4.649 4.556 0.001 0.000 0.301 597 H C -0.193 175.096 175.328 -0.065 0.000 1.139 597 H CA -0.201 55.805 56.048 -0.070 0.000 1.552 597 H CB 0.954 30.648 29.762 -0.114 0.000 1.663 597 H HN 0.705 nan 8.280 nan 0.000 0.517 598 E N 1.279 121.503 120.200 0.040 0.000 2.169 598 E HA -0.213 4.137 4.350 0.001 0.000 0.202 598 E C 0.288 176.897 176.600 0.015 0.000 1.016 598 E CA 1.390 57.800 56.400 0.017 0.000 0.817 598 E CB 0.300 30.005 29.700 0.008 0.000 0.736 598 E HN 0.436 nan 8.360 nan 0.000 0.462 599 D N -1.746 118.667 120.400 0.021 0.000 2.896 599 D HA 0.154 4.795 4.640 0.001 0.000 0.241 599 D C 0.107 176.367 176.300 -0.067 0.000 1.188 599 D CA -0.306 53.685 54.000 -0.015 0.000 0.879 599 D CB 1.711 42.504 40.800 -0.011 0.000 1.553 599 D HN -0.073 nan 8.370 nan 0.000 0.515 600 L N 2.998 124.151 121.223 -0.117 0.000 2.357 600 L HA 0.133 4.474 4.340 0.001 0.000 0.211 600 L C 1.867 178.640 176.870 -0.161 0.000 1.075 600 L CA 0.141 54.828 54.840 -0.255 0.000 0.830 600 L CB -0.052 41.795 42.059 -0.354 0.000 0.996 600 L HN 0.354 nan 8.230 nan 0.000 0.467 601 N N 0.041 118.703 118.700 -0.063 0.000 2.184 601 N HA -0.220 4.520 4.740 0.001 0.000 0.190 601 N C 1.553 177.047 175.510 -0.026 0.000 1.011 601 N CA 1.227 54.269 53.050 -0.012 0.000 0.867 601 N CB 0.133 38.621 38.487 0.002 0.000 0.993 601 N HN 0.288 nan 8.380 nan 0.000 0.433 602 E N 0.238 120.405 120.200 -0.055 0.000 2.072 602 E HA -0.063 4.288 4.350 0.001 0.000 0.190 602 E C 2.186 178.741 176.600 -0.075 0.000 0.982 602 E CA 0.597 56.960 56.400 -0.060 0.000 0.803 602 E CB -0.421 29.248 29.700 -0.050 0.000 0.755 602 E HN 0.220 nan 8.360 nan 0.000 0.453 603 V N 1.955 121.794 119.914 -0.125 0.000 2.358 603 V HA -0.195 3.926 4.120 0.001 0.000 0.246 603 V C 2.406 178.582 176.094 0.136 0.000 1.047 603 V CA 1.661 63.889 62.300 -0.121 0.000 1.035 603 V CB -0.869 30.722 31.823 -0.385 0.000 0.658 603 V HN 0.240 nan 8.190 nan 0.000 0.452 604 A N -0.479 122.477 122.820 0.227 0.000 2.186 604 A HA -0.209 4.111 4.320 0.001 0.000 0.219 604 A C 2.164 179.891 177.584 0.238 0.000 1.159 604 A CA 1.440 53.725 52.037 0.413 0.000 0.680 604 A CB -0.430 18.724 19.000 0.257 0.000 0.787 604 A HN 0.571 nan 8.150 nan 0.000 0.467 605 K N -0.521 119.901 120.400 0.037 0.000 2.366 605 K HA 0.090 4.410 4.320 0.001 0.000 0.198 605 K C 1.034 177.576 176.600 -0.097 0.000 1.044 605 K CA 0.202 56.420 56.287 -0.114 0.000 0.973 605 K CB -0.091 32.296 32.500 -0.188 0.000 0.767 605 K HN 0.329 nan 8.250 nan 0.000 0.475 606 L N -0.007 121.141 121.223 -0.126 0.000 2.465 606 L HA -0.029 4.311 4.340 0.001 0.000 0.224 606 L C 1.018 177.573 176.870 -0.524 0.000 1.145 606 L CA 1.523 56.152 54.840 -0.352 0.000 0.834 606 L CB -0.561 41.186 42.059 -0.519 0.000 0.944 606 L HN 0.100 nan 8.230 nan 0.000 0.451 607 F N -1.156 118.790 119.950 -0.006 0.000 2.668 607 F HA 0.222 4.749 4.527 0.000 0.000 0.301 607 F C 0.998 176.801 175.800 0.005 0.000 1.106 607 F CA -0.595 57.399 58.000 -0.010 0.000 1.289 607 F CB -0.584 38.395 39.000 -0.034 0.000 1.006 607 F HN 0.076 nan 8.300 nan 0.000 0.535 608 N N 2.083 120.857 118.700 0.122 0.000 2.696 608 N HA -0.180 4.560 4.740 0.001 0.000 0.256 608 N C -1.190 174.452 175.510 0.221 0.000 1.031 608 N CA 0.133 53.287 53.050 0.173 0.000 0.730 608 N CB -0.658 37.941 38.487 0.188 0.000 0.894 608 N HN 0.107 nan 8.380 nan 0.000 0.544 609 I N 1.466 122.108 120.570 0.120 0.000 2.389 609 I HA 0.296 4.466 4.170 0.001 0.000 0.288 609 I C 0.570 176.702 176.117 0.026 0.000 0.999 609 I CA -0.378 61.007 61.300 0.140 0.000 1.129 609 I CB 1.259 39.320 38.000 0.102 0.000 1.288 609 I HN 0.239 nan 8.210 nan 0.000 0.444 610 H N 0.000 119.110 119.070 0.067 0.000 2.539 610 H HA 0.000 4.556 4.556 0.001 0.000 0.296 610 H CA 0.000 56.081 56.048 0.055 0.000 1.023 610 H CB 0.000 29.784 29.762 0.037 0.000 1.292 610 H HN 0.000 nan 8.280 nan 0.000 0.496