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 2hbl_1_A DATA FIRST_RESID 127 DATA SEQUENCE GMVEKPQLKF KSPIDNSESH PFIPLLKEKP NALKPLSESL RLVDDDENNP DATA SEQUENCE SHYPHPYEYE IDHQEYSPEI LQIREEIPSK SWDDSVPIWV DTSTELESML DATA SEQUENCE EDLKNTKEIA VDLEHHDYRS YYGIVCLMQI STRERDYLVD TLKLRENLHI DATA SEQUENCE LNEVFTNPSI VKVFHGAFMD IIWLQRDLGL YVVGLFDTYH ASKAIGLPRH DATA SEQUENCE SLAYLLENFA NFKTSKKYQL ADWRIRPLSK PMTAAARADT HFLLNIYDQL DATA SEQUENCE RNKLIESNKL AGVLYESRNV AKRRFEYSKY RPLTPSSEVY SPIEKESPWK DATA SEQUENCE ILMYQYNIPP EREVLVRELY QWRDLIARRD DESPRFVMPN QLLAALVAYT DATA SEQUENCE PTDVIGVVSL TNGVTEHVRQ NAKLLANLIR DALRNIKNTN 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 127 G HA2 0.000 nan 3.960 nan 0.000 0.244 127 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 127 G C 0.000 174.896 174.900 -0.006 0.000 0.946 127 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 128 M N 1.111 120.708 119.600 -0.006 0.000 2.349 128 M HA 0.537 5.016 4.480 -0.000 0.000 0.266 128 M C 0.803 177.089 176.300 -0.023 0.000 1.076 128 M CA -0.158 55.141 55.300 -0.002 0.000 1.126 128 M CB -0.516 32.084 32.600 0.001 0.000 1.392 128 M HN 0.632 nan 8.290 nan 0.000 0.440 129 V N 1.885 121.778 119.914 -0.036 0.000 3.865 129 V HA -0.215 3.905 4.120 -0.000 0.000 0.463 129 V C 0.161 176.211 176.094 -0.072 0.000 0.682 129 V CA 0.979 63.245 62.300 -0.058 0.000 1.913 129 V CB -1.854 29.923 31.823 -0.076 0.000 2.326 129 V HN 0.766 nan 8.190 nan 0.000 0.496 130 E N 5.399 125.559 120.200 -0.067 0.000 2.414 130 E HA 0.089 4.438 4.350 -0.000 0.000 0.263 130 E C 0.489 177.023 176.600 -0.110 0.000 1.000 130 E CA -0.532 55.822 56.400 -0.076 0.000 0.914 130 E CB 0.521 30.184 29.700 -0.062 0.000 0.948 130 E HN 0.589 nan 8.360 nan 0.000 0.444 131 K N 6.489 126.813 120.400 -0.126 0.000 2.419 131 K HA 0.014 4.333 4.320 -0.000 0.000 0.282 131 K C -1.549 174.922 176.600 -0.214 0.000 1.056 131 K CA -0.952 55.236 56.287 -0.167 0.000 1.035 131 K CB 0.522 32.928 32.500 -0.157 0.000 0.921 131 K HN 0.469 nan 8.250 nan 0.000 0.472 132 P HA -0.180 nan 4.420 nan 0.000 0.222 132 P C 0.549 177.381 177.300 -0.780 0.000 1.147 132 P CA 1.173 64.071 63.100 -0.337 0.000 0.790 132 P CB 0.400 31.984 31.700 -0.194 0.000 0.780 133 Q N 0.221 119.526 119.800 -0.825 0.000 2.096 133 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 133 Q C 2.410 177.988 176.000 -0.704 0.000 0.982 133 Q CA 1.291 56.385 55.803 -1.182 0.000 0.850 133 Q CB -1.156 27.338 28.738 -0.406 0.000 0.901 133 Q HN 0.246 nan 8.270 nan 0.000 0.422 134 L N 0.237 121.240 121.223 -0.367 0.000 2.151 134 L HA -0.271 4.068 4.340 -0.000 0.000 0.215 134 L C 2.102 178.886 176.870 -0.144 0.000 1.084 134 L CA 1.364 56.092 54.840 -0.186 0.000 0.764 134 L CB -0.330 41.651 42.059 -0.130 0.000 0.891 134 L HN 0.168 nan 8.230 nan 0.000 0.435 135 K N -0.998 119.277 120.400 -0.208 0.000 2.404 135 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 135 K C 0.127 176.785 176.600 0.098 0.000 1.023 135 K CA -0.373 55.880 56.287 -0.057 0.000 1.094 135 K CB 0.313 32.789 32.500 -0.040 0.000 0.841 135 K HN -0.099 nan 8.250 nan 0.000 0.523 136 F N 1.720 121.681 119.950 0.019 0.000 2.553 136 F HA 0.037 4.564 4.527 -0.000 0.000 0.356 136 F C 1.389 177.204 175.800 0.025 0.000 1.142 136 F CA -0.125 57.889 58.000 0.024 0.000 1.322 136 F CB 0.636 39.655 39.000 0.032 0.000 1.126 136 F HN -0.145 nan 8.300 nan 0.000 0.599 137 K N 0.418 120.949 120.400 0.218 0.000 2.103 137 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 137 K C 0.266 176.931 176.600 0.108 0.000 1.052 137 K CA 1.019 57.378 56.287 0.120 0.000 0.945 137 K CB -0.034 32.510 32.500 0.073 0.000 0.722 137 K HN 0.358 nan 8.250 nan 0.000 0.443 138 S N 2.597 118.368 115.700 0.118 0.000 2.474 138 S HA 0.260 4.730 4.470 -0.000 0.000 0.321 138 S C -2.378 172.320 174.600 0.163 0.000 1.080 138 S CA -1.374 56.887 58.200 0.102 0.000 1.106 138 S CB 1.400 64.633 63.200 0.056 0.000 0.984 138 S HN 0.092 nan 8.310 nan 0.000 0.464 139 P HA 0.158 nan 4.420 nan 0.000 0.268 139 P C -0.172 177.236 177.300 0.179 0.000 1.205 139 P CA -0.533 62.664 63.100 0.161 0.000 0.771 139 P CB 0.147 31.910 31.700 0.105 0.000 0.858 140 I N -0.552 120.145 120.570 0.213 0.000 2.938 140 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 140 I C 0.092 176.317 176.117 0.180 0.000 1.182 140 I CA -0.117 61.321 61.300 0.230 0.000 1.388 140 I CB -0.146 38.008 38.000 0.257 0.000 1.390 140 I HN 0.183 nan 8.210 nan 0.000 0.600 141 D N 2.299 122.830 120.400 0.219 0.000 2.476 141 D HA 0.351 4.990 4.640 -0.000 0.000 0.251 141 D C -0.619 175.790 176.300 0.182 0.000 1.291 141 D CA -0.522 53.577 54.000 0.164 0.000 0.939 141 D CB 0.565 41.465 40.800 0.167 0.000 1.221 141 D HN 0.688 nan 8.370 nan 0.000 0.567 142 N N 1.220 119.947 118.700 0.045 0.000 2.236 142 N HA -0.019 4.721 4.740 -0.000 0.000 0.196 142 N C 1.547 176.965 175.510 -0.154 0.000 1.114 142 N CA 0.201 53.202 53.050 -0.081 0.000 0.859 142 N CB 0.550 38.816 38.487 -0.369 0.000 0.982 142 N HN 0.397 nan 8.380 nan 0.000 0.493 143 S N 1.467 117.109 115.700 -0.095 0.000 2.370 143 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 143 S C 0.884 175.405 174.600 -0.132 0.000 1.033 143 S CA 1.128 59.270 58.200 -0.097 0.000 1.011 143 S CB -0.194 62.987 63.200 -0.032 0.000 0.852 143 S HN 0.424 nan 8.310 nan 0.000 0.457 144 E N 0.338 120.407 120.200 -0.219 0.000 2.358 144 E HA -0.174 4.175 4.350 -0.000 0.000 0.246 144 E C 0.603 177.127 176.600 -0.127 0.000 1.127 144 E CA 0.497 56.676 56.400 -0.369 0.000 0.726 144 E CB -1.703 27.822 29.700 -0.293 0.000 1.272 144 E HN 0.815 nan 8.360 nan 0.000 0.390 145 S N -0.077 115.591 115.700 -0.055 0.000 2.603 145 S HA -0.020 4.449 4.470 -0.000 0.000 0.220 145 S C 0.567 175.355 174.600 0.314 0.000 0.967 145 S CA 0.672 58.956 58.200 0.140 0.000 0.920 145 S CB -0.156 63.152 63.200 0.179 0.000 0.773 145 S HN 0.571 nan 8.310 nan 0.000 0.529 146 H N -2.499 116.752 119.070 0.303 0.000 2.967 146 H HA 0.511 5.067 4.556 -0.000 0.000 0.318 146 H C -3.807 171.618 175.328 0.162 0.000 1.375 146 H CA -2.042 54.118 56.048 0.186 0.000 1.132 146 H CB -0.085 29.746 29.762 0.115 0.000 1.848 146 H HN -0.106 nan 8.280 nan 0.000 0.524 147 P HA 0.043 nan 4.420 nan 0.000 0.272 147 P C -0.156 177.372 177.300 0.379 0.000 1.230 147 P CA -0.292 62.725 63.100 -0.138 0.000 0.788 147 P CB 0.258 31.792 31.700 -0.275 0.000 0.949 148 F N 2.554 122.568 119.950 0.106 0.000 2.607 148 F HA 0.103 4.630 4.527 -0.001 0.000 0.374 148 F C -0.156 175.722 175.800 0.129 0.000 1.104 148 F CA 0.333 58.306 58.000 -0.045 0.000 1.296 148 F CB -0.253 38.511 39.000 -0.393 0.000 1.085 148 F HN 0.083 nan 8.300 nan 0.000 0.584 149 I N 8.532 128.518 120.570 -0.972 0.000 2.355 149 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 149 I C -2.086 173.271 176.117 -1.266 0.000 0.999 149 I CA -2.234 58.461 61.300 -1.008 0.000 1.163 149 I CB 1.424 39.071 38.000 -0.588 0.000 1.316 149 I HN 0.458 nan 8.210 nan 0.000 0.454 150 P HA 0.017 nan 4.420 nan 0.000 0.264 150 P C 0.423 177.604 177.300 -0.198 0.000 1.183 150 P CA 0.100 63.025 63.100 -0.291 0.000 0.763 150 P CB 0.956 32.639 31.700 -0.028 0.000 0.807 151 L N 1.606 122.825 121.223 -0.007 0.000 2.599 151 L HA 0.037 4.377 4.340 -0.000 0.000 0.230 151 L C 1.317 178.184 176.870 -0.005 0.000 1.141 151 L CA -0.201 54.629 54.840 -0.017 0.000 0.877 151 L CB -0.461 41.621 42.059 0.039 0.000 1.009 151 L HN 0.323 nan 8.230 nan 0.000 0.447 152 L N 0.634 121.896 121.223 0.066 0.000 2.462 152 L HA -0.006 4.333 4.340 -0.000 0.000 0.272 152 L C 0.909 177.757 176.870 -0.037 0.000 1.166 152 L CA 0.807 55.690 54.840 0.071 0.000 0.880 152 L CB 0.554 42.699 42.059 0.143 0.000 1.142 152 L HN -0.054 nan 8.230 nan 0.000 0.473 153 K N 2.116 122.476 120.400 -0.066 0.000 2.399 153 K HA 0.299 4.619 4.320 -0.000 0.000 0.196 153 K C -0.321 176.249 176.600 -0.051 0.000 1.117 153 K CA 0.454 56.688 56.287 -0.088 0.000 0.965 153 K CB 0.468 32.883 32.500 -0.141 0.000 0.983 153 K HN 0.658 nan 8.250 nan 0.000 0.531 154 E N 0.288 120.483 120.200 -0.008 0.000 2.277 154 E HA 0.311 4.661 4.350 -0.000 0.000 0.266 154 E C -1.052 175.587 176.600 0.066 0.000 0.901 154 E CA -0.720 55.697 56.400 0.028 0.000 0.782 154 E CB 2.220 31.959 29.700 0.065 0.000 1.228 154 E HN -0.192 nan 8.360 nan 0.000 0.424 155 K N 3.303 123.731 120.400 0.046 0.000 2.701 155 K HA 0.274 4.593 4.320 -0.000 0.000 0.212 155 K C -2.617 174.053 176.600 0.118 0.000 1.035 155 K CA -1.667 54.661 56.287 0.067 0.000 1.048 155 K CB 0.943 33.353 32.500 -0.149 0.000 1.234 155 K HN 0.284 nan 8.250 nan 0.000 0.540 156 P HA 0.159 nan 4.420 nan 0.000 0.276 156 P C -0.825 176.604 177.300 0.215 0.000 1.261 156 P CA -0.095 63.101 63.100 0.160 0.000 0.800 156 P CB 0.460 32.239 31.700 0.133 0.000 1.066 157 N N -2.732 116.055 118.700 0.145 0.000 2.721 157 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 157 N C 0.038 175.660 175.510 0.186 0.000 1.072 157 N CA 1.118 54.255 53.050 0.145 0.000 0.710 157 N CB -1.963 36.608 38.487 0.140 0.000 0.993 157 N HN 0.684 nan 8.380 nan 0.000 0.547 158 A N -0.079 122.820 122.820 0.132 0.000 2.327 158 A HA 0.606 4.926 4.320 -0.000 0.000 0.283 158 A C 1.291 178.919 177.584 0.073 0.000 1.127 158 A CA -0.407 51.679 52.037 0.081 0.000 0.810 158 A CB 0.631 19.630 19.000 -0.003 0.000 1.066 158 A HN 0.270 nan 8.150 nan 0.000 0.492 159 L N 0.380 121.662 121.223 0.098 0.000 2.609 159 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 159 L C 0.929 177.815 176.870 0.026 0.000 1.064 159 L CA 0.523 55.448 54.840 0.142 0.000 0.873 159 L CB 0.234 42.487 42.059 0.324 0.000 1.139 159 L HN 0.733 nan 8.230 nan 0.000 0.490 160 K N 1.252 121.617 120.400 -0.058 0.000 2.413 160 K HA 0.393 4.713 4.320 -0.000 0.000 0.257 160 K C -2.526 173.974 176.600 -0.166 0.000 0.946 160 K CA -1.919 54.235 56.287 -0.222 0.000 0.823 160 K CB 2.042 34.292 32.500 -0.418 0.000 1.109 160 K HN -0.292 nan 8.250 nan 0.000 0.427 161 P HA -0.148 nan 4.420 nan 0.000 0.267 161 P C 0.361 177.577 177.300 -0.141 0.000 1.195 161 P CA -0.180 62.848 63.100 -0.119 0.000 0.773 161 P CB 0.440 32.080 31.700 -0.101 0.000 0.837 162 L N 2.392 123.538 121.223 -0.130 0.000 2.456 162 L HA -0.109 4.231 4.340 -0.000 0.000 0.224 162 L C 1.752 178.554 176.870 -0.113 0.000 1.148 162 L CA 1.634 56.389 54.840 -0.142 0.000 0.825 162 L CB -1.181 40.805 42.059 -0.121 0.000 0.937 162 L HN 0.223 nan 8.230 nan 0.000 0.450 163 S N 0.018 115.660 115.700 -0.098 0.000 2.363 163 S HA -0.220 4.250 4.470 -0.000 0.000 0.218 163 S C 1.654 176.205 174.600 -0.082 0.000 1.035 163 S CA 1.758 59.910 58.200 -0.081 0.000 1.043 163 S CB -0.399 62.756 63.200 -0.074 0.000 0.986 163 S HN 0.580 nan 8.310 nan 0.000 0.423 164 E N 1.042 121.182 120.200 -0.099 0.000 2.396 164 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 164 E C 2.017 178.563 176.600 -0.089 0.000 1.023 164 E CA 0.794 57.133 56.400 -0.100 0.000 0.857 164 E CB -0.116 29.504 29.700 -0.133 0.000 0.775 164 E HN 0.340 nan 8.360 nan 0.000 0.525 165 S N 0.986 116.629 115.700 -0.096 0.000 2.325 165 S HA -0.072 4.397 4.470 -0.000 0.000 0.214 165 S C 0.883 175.472 174.600 -0.018 0.000 1.031 165 S CA 0.129 58.281 58.200 -0.081 0.000 0.972 165 S CB -0.097 63.020 63.200 -0.139 0.000 0.908 165 S HN 0.152 nan 8.310 nan 0.000 0.453 166 L N 4.142 125.351 121.223 -0.024 0.000 2.505 166 L HA 0.211 4.551 4.340 -0.000 0.000 0.279 166 L C 0.534 177.467 176.870 0.106 0.000 1.211 166 L CA 0.040 54.903 54.840 0.039 0.000 1.059 166 L CB -0.695 41.334 42.059 -0.050 0.000 1.340 166 L HN 0.291 nan 8.230 nan 0.000 0.447 167 R N 3.371 123.968 120.500 0.161 0.000 2.727 167 R HA 0.785 5.125 4.340 -0.000 0.000 0.105 167 R C -1.127 175.084 176.300 -0.149 0.000 1.231 167 R CA -0.728 55.389 56.100 0.027 0.000 1.026 167 R CB 0.351 30.624 30.300 -0.045 0.000 0.891 167 R HN 0.257 nan 8.270 nan 0.000 0.392 168 L N -0.170 120.894 121.223 -0.265 0.000 3.580 168 L HA 0.255 4.595 4.340 -0.000 0.000 0.225 168 L C -2.058 174.594 176.870 -0.363 0.000 1.011 168 L CA -0.359 54.190 54.840 -0.486 0.000 1.046 168 L CB 2.169 43.928 42.059 -0.500 0.000 1.522 168 L HN 0.319 nan 8.230 nan 0.000 0.413 169 V N 3.969 123.596 119.914 -0.478 0.000 2.266 169 V HA 0.356 4.476 4.120 -0.000 0.000 0.266 169 V C -0.247 175.676 176.094 -0.285 0.000 1.036 169 V CA -0.880 61.181 62.300 -0.399 0.000 0.828 169 V CB 0.701 32.160 31.823 -0.606 0.000 1.081 169 V HN 0.720 nan 8.190 nan 0.000 0.449 170 D N 2.521 122.809 120.400 -0.187 0.000 2.505 170 D HA -0.085 4.555 4.640 -0.000 0.000 0.229 170 D C 0.444 176.712 176.300 -0.054 0.000 1.215 170 D CA 0.752 54.684 54.000 -0.113 0.000 0.880 170 D CB 0.740 41.490 40.800 -0.083 0.000 1.228 170 D HN 0.457 nan 8.370 nan 0.000 0.497 171 D N 0.613 121.001 120.400 -0.019 0.000 2.560 171 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 171 D C 0.193 176.505 176.300 0.021 0.000 1.222 171 D CA 1.163 55.174 54.000 0.019 0.000 0.880 171 D CB 0.470 41.283 40.800 0.021 0.000 1.234 171 D HN 0.423 nan 8.370 nan 0.000 0.515 172 D N -1.515 118.906 120.400 0.036 0.000 2.783 172 D HA 0.024 4.664 4.640 -0.000 0.000 0.253 172 D C 0.283 176.602 176.300 0.032 0.000 1.206 172 D CA -0.498 53.520 54.000 0.031 0.000 0.740 172 D CB 0.752 41.575 40.800 0.038 0.000 1.313 172 D HN 0.195 nan 8.370 nan 0.000 0.427 173 E N 0.311 120.525 120.200 0.023 0.000 2.049 173 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 173 E C 1.355 177.965 176.600 0.018 0.000 1.007 173 E CA 0.944 57.355 56.400 0.017 0.000 0.809 173 E CB -0.113 29.594 29.700 0.013 0.000 0.749 173 E HN 0.414 nan 8.360 nan 0.000 0.450 174 N N 1.117 119.830 118.700 0.021 0.000 2.043 174 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 174 N C 0.361 175.881 175.510 0.016 0.000 1.037 174 N CA 1.019 54.079 53.050 0.017 0.000 0.851 174 N CB 0.102 38.602 38.487 0.021 0.000 1.027 174 N HN 0.062 nan 8.380 nan 0.000 0.422 175 N N -0.255 118.468 118.700 0.038 0.000 2.336 175 N HA 0.285 5.025 4.740 -0.000 0.000 0.290 175 N C -3.040 172.536 175.510 0.110 0.000 1.058 175 N CA -1.350 51.727 53.050 0.045 0.000 0.865 175 N CB 2.642 41.122 38.487 -0.011 0.000 1.581 175 N HN -0.019 nan 8.380 nan 0.000 0.480 176 P HA 0.022 nan 4.420 nan 0.000 0.272 176 P C 0.014 177.431 177.300 0.194 0.000 1.240 176 P CA -0.166 63.021 63.100 0.145 0.000 0.791 176 P CB 0.537 32.340 31.700 0.172 0.000 0.978 177 S N 1.344 117.095 115.700 0.086 0.000 2.715 177 S HA -0.031 4.439 4.470 -0.000 0.000 0.318 177 S C 0.150 174.734 174.600 -0.025 0.000 1.242 177 S CA 0.476 58.653 58.200 -0.039 0.000 1.044 177 S CB -0.942 62.194 63.200 -0.106 0.000 0.760 177 S HN 0.800 nan 8.310 nan 0.000 0.501 178 H N 1.928 120.882 119.070 -0.195 0.000 2.967 178 H HA 0.294 4.850 4.556 -0.000 0.000 0.318 178 H C -1.926 173.263 175.328 -0.233 0.000 1.375 178 H CA -0.831 55.109 56.048 -0.180 0.000 1.132 178 H CB -0.072 29.671 29.762 -0.033 0.000 1.848 178 H HN 0.543 nan 8.280 nan 0.000 0.524 179 Y N 1.303 121.639 120.300 0.060 0.000 2.320 179 Y HA 0.364 4.914 4.550 -0.001 0.000 0.324 179 Y C -1.879 174.120 175.900 0.164 0.000 1.190 179 Y CA -1.375 56.734 58.100 0.014 0.000 1.215 179 Y CB 1.231 39.696 38.460 0.009 0.000 1.221 179 Y HN 0.395 nan 8.280 nan 0.000 0.486 180 P HA 0.107 nan 4.420 nan 0.000 0.284 180 P C -1.191 176.273 177.300 0.273 0.000 1.287 180 P CA -0.546 62.709 63.100 0.258 0.000 0.824 180 P CB 0.982 32.763 31.700 0.135 0.000 1.180 181 H N 1.167 120.332 119.070 0.159 0.000 2.955 181 H HA 0.116 4.672 4.556 -0.000 0.000 0.290 181 H C -1.335 173.994 175.328 0.003 0.000 1.047 181 H CA -1.465 54.661 56.048 0.130 0.000 1.484 181 H CB 0.407 30.264 29.762 0.158 0.000 1.501 181 H HN 0.193 nan 8.280 nan 0.000 0.521 182 P HA -0.168 nan 4.420 nan 0.000 0.222 182 P C -0.424 176.719 177.300 -0.261 0.000 1.142 182 P CA 1.390 64.394 63.100 -0.159 0.000 0.788 182 P CB 0.132 31.586 31.700 -0.409 0.000 0.767 183 Y N -2.098 118.226 120.300 0.040 0.000 2.707 183 Y HA 0.180 4.730 4.550 -0.001 0.000 0.249 183 Y C 1.899 177.671 175.900 -0.213 0.000 1.166 183 Y CA -0.444 57.617 58.100 -0.066 0.000 1.184 183 Y CB -0.011 38.454 38.460 0.009 0.000 1.240 183 Y HN -0.066 nan 8.280 nan 0.000 0.547 184 E N -0.111 119.993 120.200 -0.161 0.000 2.085 184 E HA -0.292 4.057 4.350 -0.000 0.000 0.194 184 E C 1.608 178.203 176.600 -0.007 0.000 0.994 184 E CA 1.671 57.966 56.400 -0.175 0.000 0.801 184 E CB -0.079 29.589 29.700 -0.053 0.000 0.743 184 E HN 0.576 nan 8.360 nan 0.000 0.453 185 Y N 2.354 122.603 120.300 -0.085 0.000 2.070 185 Y HA -0.243 4.307 4.550 -0.000 0.000 0.279 185 Y C 2.285 178.164 175.900 -0.034 0.000 1.134 185 Y CA 2.373 60.410 58.100 -0.104 0.000 1.113 185 Y CB -0.329 38.012 38.460 -0.198 0.000 0.981 185 Y HN 0.112 nan 8.280 nan 0.000 0.487 186 E N 0.417 120.611 120.200 -0.010 0.000 2.118 186 E HA -0.245 4.104 4.350 -0.000 0.000 0.195 186 E C 2.341 178.899 176.600 -0.070 0.000 0.992 186 E CA 1.862 58.235 56.400 -0.045 0.000 0.804 186 E CB -1.075 28.715 29.700 0.151 0.000 0.741 186 E HN 0.650 nan 8.360 nan 0.000 0.458 187 I N 1.588 122.131 120.570 -0.044 0.000 2.454 187 I HA -0.221 3.948 4.170 -0.000 0.000 0.254 187 I C 1.672 177.731 176.117 -0.097 0.000 1.156 187 I CA 1.332 62.581 61.300 -0.084 0.000 1.433 187 I CB -0.192 37.753 38.000 -0.092 0.000 1.082 187 I HN -0.039 nan 8.210 nan 0.000 0.432 188 D N -0.662 119.701 120.400 -0.062 0.000 2.240 188 D HA -0.078 4.561 4.640 -0.000 0.000 0.206 188 D C 1.953 178.178 176.300 -0.125 0.000 0.963 188 D CA 1.197 55.175 54.000 -0.036 0.000 0.863 188 D CB 0.041 40.882 40.800 0.068 0.000 0.973 188 D HN 0.389 nan 8.370 nan 0.000 0.501 189 H N 0.144 118.989 119.070 -0.374 0.000 2.439 189 H HA 0.178 4.734 4.556 -0.000 0.000 0.299 189 H C 0.512 175.692 175.328 -0.247 0.000 1.033 189 H CA 0.196 56.027 56.048 -0.361 0.000 1.348 189 H CB -0.071 29.309 29.762 -0.637 0.000 1.449 189 H HN -0.087 nan 8.280 nan 0.000 0.544 190 Q N 2.331 122.065 119.800 -0.111 0.000 2.320 190 Q HA -0.060 4.279 4.340 -0.000 0.000 0.311 190 Q C -0.109 175.776 176.000 -0.192 0.000 1.083 190 Q CA 0.682 56.413 55.803 -0.119 0.000 1.001 190 Q CB 0.183 28.850 28.738 -0.119 0.000 1.074 190 Q HN 0.566 nan 8.270 nan 0.000 0.379 191 E N 1.849 121.977 120.200 -0.119 0.000 2.373 191 E HA 0.078 4.427 4.350 -0.000 0.000 0.263 191 E C -0.717 175.818 176.600 -0.108 0.000 1.073 191 E CA -0.210 56.134 56.400 -0.094 0.000 0.894 191 E CB 0.519 30.211 29.700 -0.013 0.000 1.008 191 E HN 0.342 nan 8.360 nan 0.000 0.420 192 Y N 0.716 121.029 120.300 0.022 0.000 2.301 192 Y HA 0.012 4.562 4.550 -0.000 0.000 0.328 192 Y C 0.708 176.629 175.900 0.035 0.000 1.242 192 Y CA -0.591 57.530 58.100 0.036 0.000 1.323 192 Y CB 1.014 39.503 38.460 0.049 0.000 1.266 192 Y HN 0.372 nan 8.280 nan 0.000 0.527 193 S N 3.268 119.121 115.700 0.255 0.000 2.498 193 S HA 0.083 4.553 4.470 -0.000 0.000 0.281 193 S C -2.061 172.614 174.600 0.125 0.000 1.265 193 S CA -1.079 57.208 58.200 0.146 0.000 1.071 193 S CB 0.902 64.175 63.200 0.122 0.000 0.894 193 S HN 0.479 nan 8.310 nan 0.000 0.491 194 P HA -0.213 nan 4.420 nan 0.000 0.218 194 P C 1.173 178.500 177.300 0.045 0.000 1.146 194 P CA 1.347 64.484 63.100 0.062 0.000 0.820 194 P CB -0.067 31.660 31.700 0.045 0.000 0.778 195 E N -0.914 119.313 120.200 0.045 0.000 2.438 195 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 195 E C 1.470 178.085 176.600 0.025 0.000 1.110 195 E CA 0.197 56.613 56.400 0.027 0.000 0.893 195 E CB -0.736 28.981 29.700 0.028 0.000 0.990 195 E HN 0.348 nan 8.360 nan 0.000 0.490 196 I N 0.031 120.625 120.570 0.039 0.000 3.939 196 I HA 0.024 4.194 4.170 -0.000 0.000 0.313 196 I C 1.480 177.591 176.117 -0.010 0.000 1.274 196 I CA 0.026 61.343 61.300 0.030 0.000 1.301 196 I CB 0.459 38.491 38.000 0.054 0.000 1.105 196 I HN 0.091 nan 8.210 nan 0.000 0.427 197 L N 0.796 122.020 121.223 0.001 0.000 2.592 197 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 197 L C 0.136 176.996 176.870 -0.015 0.000 1.127 197 L CA 0.112 54.949 54.840 -0.005 0.000 0.884 197 L CB -0.159 41.907 42.059 0.013 0.000 1.065 197 L HN 0.222 nan 8.230 nan 0.000 0.457 198 Q N 0.585 120.371 119.800 -0.024 0.000 2.282 198 Q HA 0.458 4.797 4.340 -0.000 0.000 0.260 198 Q C -0.509 175.458 176.000 -0.055 0.000 0.964 198 Q CA -0.532 55.252 55.803 -0.030 0.000 0.880 198 Q CB 2.798 31.524 28.738 -0.020 0.000 1.286 198 Q HN 0.160 nan 8.270 nan 0.000 0.445 199 I N 3.176 123.716 120.570 -0.051 0.000 2.436 199 I HA 0.124 4.294 4.170 -0.000 0.000 0.289 199 I C 0.270 176.349 176.117 -0.063 0.000 1.083 199 I CA 0.376 61.636 61.300 -0.066 0.000 1.372 199 I CB 0.131 38.102 38.000 -0.049 0.000 1.408 199 I HN 0.382 nan 8.210 nan 0.000 0.516 200 R N 4.309 124.757 120.500 -0.086 0.000 2.832 200 R HA 0.418 4.758 4.340 -0.000 0.000 0.271 200 R C -0.714 175.542 176.300 -0.072 0.000 0.996 200 R CA -1.118 54.940 56.100 -0.070 0.000 0.977 200 R CB 1.560 31.817 30.300 -0.071 0.000 1.168 200 R HN 0.417 nan 8.270 nan 0.000 0.482 201 E N 2.272 122.442 120.200 -0.050 0.000 2.415 201 E HA -0.047 4.303 4.350 -0.000 0.000 0.263 201 E C -0.315 176.253 176.600 -0.054 0.000 0.995 201 E CA 0.251 56.626 56.400 -0.042 0.000 0.915 201 E CB 0.307 29.991 29.700 -0.026 0.000 0.951 201 E HN 0.345 nan 8.360 nan 0.000 0.449 202 E N 2.893 123.060 120.200 -0.056 0.000 2.373 202 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 202 E C -0.388 176.192 176.600 -0.035 0.000 1.073 202 E CA -0.358 56.004 56.400 -0.063 0.000 0.894 202 E CB 0.776 30.439 29.700 -0.063 0.000 1.008 202 E HN 0.391 nan 8.360 nan 0.000 0.420 203 I N 3.035 123.586 120.570 -0.032 0.000 2.339 203 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 203 I C -2.169 173.943 176.117 -0.008 0.000 0.994 203 I CA -2.641 58.649 61.300 -0.017 0.000 1.191 203 I CB 1.403 39.391 38.000 -0.019 0.000 1.343 203 I HN 0.368 nan 8.210 nan 0.000 0.458 204 P HA 0.092 nan 4.420 nan 0.000 0.269 204 P C -0.380 176.922 177.300 0.003 0.000 1.215 204 P CA -0.130 62.986 63.100 0.026 0.000 0.780 204 P CB 0.523 32.247 31.700 0.040 0.000 0.898 205 S N 1.750 117.460 115.700 0.017 0.000 2.579 205 S HA 0.104 4.574 4.470 -0.000 0.000 0.275 205 S C 0.399 174.960 174.600 -0.065 0.000 1.345 205 S CA -0.344 57.797 58.200 -0.098 0.000 1.031 205 S CB 0.062 63.210 63.200 -0.088 0.000 0.892 205 S HN 0.252 nan 8.310 nan 0.000 0.529 206 K N 1.763 122.068 120.400 -0.158 0.000 2.295 206 K HA 0.126 4.446 4.320 -0.000 0.000 0.270 206 K C 0.499 177.178 176.600 0.132 0.000 1.011 206 K CA -0.103 56.169 56.287 -0.026 0.000 0.953 206 K CB 0.796 33.258 32.500 -0.062 0.000 0.956 206 K HN 0.613 nan 8.250 nan 0.000 0.477 207 S N 3.325 119.104 115.700 0.133 0.000 2.596 207 S HA -0.090 4.379 4.470 -0.000 0.000 0.298 207 S C 1.354 176.091 174.600 0.228 0.000 1.255 207 S CA -0.371 57.942 58.200 0.189 0.000 1.083 207 S CB -0.035 63.239 63.200 0.123 0.000 0.837 207 S HN 0.645 nan 8.310 nan 0.000 0.499 208 W N 5.132 126.460 121.300 0.047 0.000 2.318 208 W HA -0.179 4.481 4.660 -0.001 0.000 0.313 208 W C 0.990 177.466 176.519 -0.073 0.000 1.221 208 W CA 2.025 59.287 57.345 -0.139 0.000 1.266 208 W CB -0.464 28.879 29.460 -0.194 0.000 1.150 208 W HN 0.790 nan 8.180 nan 0.000 0.496 209 D N 0.048 120.615 120.400 0.278 0.000 2.312 209 D HA -0.130 4.509 4.640 -0.000 0.000 0.211 209 D C 1.180 177.514 176.300 0.056 0.000 0.964 209 D CA 1.111 55.213 54.000 0.170 0.000 0.877 209 D CB -0.425 40.476 40.800 0.168 0.000 0.924 209 D HN 0.148 nan 8.370 nan 0.000 0.515 210 D N 0.097 120.522 120.400 0.041 0.000 2.378 210 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 210 D C 0.608 176.885 176.300 -0.039 0.000 0.980 210 D CA 0.482 54.486 54.000 0.007 0.000 0.907 210 D CB 0.229 41.039 40.800 0.016 0.000 0.899 210 D HN 0.153 nan 8.370 nan 0.000 0.527 211 S N -1.537 114.110 115.700 -0.087 0.000 2.588 211 S HA 0.537 5.007 4.470 -0.000 0.000 0.269 211 S C -0.745 173.736 174.600 -0.198 0.000 1.157 211 S CA -0.964 57.157 58.200 -0.130 0.000 0.824 211 S CB 1.504 64.615 63.200 -0.148 0.000 1.126 211 S HN -0.058 nan 8.310 nan 0.000 0.464 212 V N -1.160 118.650 119.914 -0.174 0.000 2.732 212 V HA 0.854 4.973 4.120 -0.000 0.000 0.310 212 V C -2.628 173.337 176.094 -0.216 0.000 1.053 212 V CA -2.433 59.757 62.300 -0.184 0.000 0.957 212 V CB 0.923 32.688 31.823 -0.098 0.000 1.018 212 V HN 0.911 nan 8.190 nan 0.000 0.452 213 P HA 0.364 nan 4.420 nan 0.000 0.271 213 P C -0.542 176.707 177.300 -0.085 0.000 1.216 213 P CA -0.079 62.906 63.100 -0.192 0.000 0.776 213 P CB 0.874 32.489 31.700 -0.141 0.000 0.881 214 I N 3.197 123.690 120.570 -0.128 0.000 2.301 214 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 214 I C 0.856 177.060 176.117 0.145 0.000 1.046 214 I CA -0.561 60.731 61.300 -0.014 0.000 1.282 214 I CB 0.459 38.385 38.000 -0.123 0.000 1.409 214 I HN 0.360 nan 8.210 nan 0.000 0.484 215 W N 7.942 129.249 121.300 0.012 0.000 2.266 215 W HA 0.413 5.073 4.660 -0.001 0.000 0.317 215 W C -1.410 175.141 176.519 0.053 0.000 1.310 215 W CA -0.367 56.997 57.345 0.032 0.000 1.207 215 W CB 1.236 30.704 29.460 0.014 0.000 1.199 215 W HN 0.139 nan 8.180 nan 0.000 0.544 216 V N 7.403 126.967 119.914 -0.583 0.000 2.380 216 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 216 V C -0.115 175.672 176.094 -0.512 0.000 1.015 216 V CA -0.354 61.719 62.300 -0.379 0.000 0.834 216 V CB 1.448 33.127 31.823 -0.241 0.000 1.009 216 V HN 0.595 nan 8.190 nan 0.000 0.428 217 D N 1.220 121.469 120.400 -0.253 0.000 2.651 217 D HA 0.162 4.802 4.640 -0.000 0.000 0.280 217 D C 0.089 176.378 176.300 -0.017 0.000 1.496 217 D CA -0.108 53.821 54.000 -0.118 0.000 0.792 217 D CB 0.806 41.659 40.800 0.089 0.000 1.144 217 D HN 0.383 nan 8.370 nan 0.000 0.470 218 T N -0.529 114.004 114.554 -0.035 0.000 2.906 218 T HA 0.386 4.736 4.350 -0.000 0.000 0.295 218 T C 1.177 175.850 174.700 -0.044 0.000 1.061 218 T CA -0.195 61.896 62.100 -0.014 0.000 1.000 218 T CB 1.965 70.840 68.868 0.011 0.000 1.103 218 T HN 0.000 nan 8.240 nan 0.000 0.486 219 S N 0.548 116.226 115.700 -0.036 0.000 2.423 219 S HA -0.150 4.319 4.470 -0.000 0.000 0.231 219 S C 2.143 176.710 174.600 -0.054 0.000 1.014 219 S CA 1.589 59.757 58.200 -0.054 0.000 0.965 219 S CB -0.918 62.260 63.200 -0.038 0.000 0.785 219 S HN 0.897 nan 8.310 nan 0.000 0.495 220 T N 0.846 115.379 114.554 -0.034 0.000 2.809 220 T HA 0.025 4.375 4.350 -0.000 0.000 0.260 220 T C 1.665 176.344 174.700 -0.035 0.000 1.039 220 T CA 1.037 63.120 62.100 -0.029 0.000 1.141 220 T CB -0.605 68.256 68.868 -0.011 0.000 0.869 220 T HN 0.521 nan 8.240 nan 0.000 0.437 221 E N 1.117 121.299 120.200 -0.030 0.000 2.077 221 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 221 E C 2.120 178.672 176.600 -0.079 0.000 0.989 221 E CA 1.035 57.417 56.400 -0.030 0.000 0.800 221 E CB -0.340 29.352 29.700 -0.013 0.000 0.746 221 E HN 0.328 nan 8.360 nan 0.000 0.452 222 L N 1.452 122.611 121.223 -0.106 0.000 2.083 222 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 222 L C 2.235 179.014 176.870 -0.152 0.000 1.083 222 L CA 1.764 56.511 54.840 -0.156 0.000 0.752 222 L CB -0.154 41.810 42.059 -0.159 0.000 0.899 222 L HN -0.037 nan 8.230 nan 0.000 0.433 223 E N -0.518 119.616 120.200 -0.111 0.000 2.106 223 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 223 E C 2.255 178.802 176.600 -0.089 0.000 0.984 223 E CA 1.432 57.774 56.400 -0.097 0.000 0.806 223 E CB -0.252 29.407 29.700 -0.068 0.000 0.750 223 E HN 0.695 nan 8.360 nan 0.000 0.458 224 S N -0.024 115.632 115.700 -0.074 0.000 2.387 224 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 224 S C 2.185 176.730 174.600 -0.092 0.000 1.026 224 S CA 1.180 59.347 58.200 -0.055 0.000 0.972 224 S CB -0.481 62.708 63.200 -0.018 0.000 0.814 224 S HN 0.401 nan 8.310 nan 0.000 0.477 225 M N 0.866 120.359 119.600 -0.178 0.000 2.117 225 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 225 M C 2.156 178.277 176.300 -0.298 0.000 1.065 225 M CA 1.529 56.595 55.300 -0.391 0.000 1.114 225 M CB -0.336 31.860 32.600 -0.673 0.000 1.361 225 M HN 0.420 nan 8.290 nan 0.000 0.408 226 L N 0.939 122.032 121.223 -0.216 0.000 2.042 226 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 226 L C 2.025 178.837 176.870 -0.097 0.000 1.076 226 L CA 2.050 56.799 54.840 -0.152 0.000 0.749 226 L CB -0.885 41.092 42.059 -0.136 0.000 0.893 226 L HN 0.290 nan 8.230 nan 0.000 0.432 227 E N -0.200 119.952 120.200 -0.080 0.000 2.085 227 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 227 E C 1.919 178.500 176.600 -0.032 0.000 0.994 227 E CA 1.416 57.789 56.400 -0.045 0.000 0.801 227 E CB -0.351 29.328 29.700 -0.034 0.000 0.743 227 E HN 0.688 nan 8.360 nan 0.000 0.453 228 D N -0.691 119.685 120.400 -0.040 0.000 2.117 228 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 228 D C 1.823 178.118 176.300 -0.008 0.000 0.982 228 D CA 0.796 54.793 54.000 -0.005 0.000 0.828 228 D CB -0.055 40.768 40.800 0.038 0.000 0.967 228 D HN 0.186 nan 8.370 nan 0.000 0.464 229 L N -0.026 121.168 121.223 -0.048 0.000 2.201 229 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 229 L C 2.355 179.222 176.870 -0.004 0.000 1.105 229 L CA 0.793 55.618 54.840 -0.025 0.000 0.775 229 L CB -0.328 41.706 42.059 -0.042 0.000 0.913 229 L HN 0.011 nan 8.230 nan 0.000 0.440 230 K N 0.144 120.539 120.400 -0.009 0.000 2.283 230 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 230 K C 0.562 177.166 176.600 0.006 0.000 1.048 230 K CA 0.613 56.901 56.287 0.002 0.000 0.948 230 K CB -0.084 32.415 32.500 -0.003 0.000 0.742 230 K HN 0.329 nan 8.250 nan 0.000 0.458 231 N N 1.839 120.542 118.700 0.005 0.000 2.558 231 N HA 0.007 4.747 4.740 -0.000 0.000 0.281 231 N C -0.412 175.103 175.510 0.008 0.000 1.219 231 N CA 0.259 53.314 53.050 0.008 0.000 0.942 231 N CB 0.828 39.320 38.487 0.008 0.000 1.241 231 N HN 0.218 nan 8.380 nan 0.000 0.511 232 T N -3.250 111.308 114.554 0.007 0.000 2.887 232 T HA 0.436 4.786 4.350 -0.000 0.000 0.292 232 T C 0.764 175.465 174.700 0.002 0.000 1.087 232 T CA -0.643 61.458 62.100 0.002 0.000 1.009 232 T CB 2.510 71.374 68.868 -0.005 0.000 1.203 232 T HN -0.275 nan 8.240 nan 0.000 0.518 233 K N 0.334 120.734 120.400 0.000 0.000 2.348 233 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 233 K C 0.488 177.081 176.600 -0.010 0.000 1.052 233 K CA 0.549 56.842 56.287 0.008 0.000 1.004 233 K CB 0.285 32.798 32.500 0.021 0.000 0.873 233 K HN 0.893 nan 8.250 nan 0.000 0.523 234 E N 0.736 120.912 120.200 -0.041 0.000 2.388 234 E HA 0.314 4.664 4.350 -0.000 0.000 0.280 234 E C -0.745 175.780 176.600 -0.125 0.000 1.019 234 E CA -0.817 55.515 56.400 -0.112 0.000 0.806 234 E CB 1.167 30.759 29.700 -0.180 0.000 1.246 234 E HN 0.018 nan 8.360 nan 0.000 0.443 235 I N -2.301 118.160 120.570 -0.181 0.000 2.994 235 I HA 0.906 5.076 4.170 -0.000 0.000 0.306 235 I C -1.075 174.891 176.117 -0.251 0.000 1.195 235 I CA -1.292 59.904 61.300 -0.174 0.000 1.001 235 I CB 2.222 40.137 38.000 -0.143 0.000 1.244 235 I HN 0.662 nan 8.210 nan 0.000 0.437 236 A N 3.960 126.643 122.820 -0.229 0.000 2.317 236 A HA 0.864 5.183 4.320 -0.000 0.000 0.327 236 A C -0.680 176.688 177.584 -0.359 0.000 1.178 236 A CA -0.579 51.295 52.037 -0.271 0.000 0.817 236 A CB 1.399 20.301 19.000 -0.164 0.000 1.189 236 A HN 0.601 nan 8.150 nan 0.000 0.489 237 V N 1.676 121.211 119.914 -0.631 0.000 2.876 237 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 237 V C -0.807 174.886 176.094 -0.670 0.000 1.085 237 V CA -0.562 61.298 62.300 -0.733 0.000 0.945 237 V CB 2.168 33.280 31.823 -1.185 0.000 1.017 237 V HN 1.037 nan 8.190 nan 0.000 0.428 238 D N 1.133 121.353 120.400 -0.300 0.000 2.615 238 D HA 0.758 5.398 4.640 -0.000 0.000 0.267 238 D C -1.643 174.654 176.300 -0.005 0.000 1.236 238 D CA -0.292 53.657 54.000 -0.085 0.000 0.839 238 D CB 1.956 42.733 40.800 -0.038 0.000 1.380 238 D HN 0.506 nan 8.370 nan 0.000 0.433 239 L N 0.668 121.924 121.223 0.056 0.000 2.424 239 L HA 0.574 4.914 4.340 -0.000 0.000 0.258 239 L C -0.788 176.028 176.870 -0.090 0.000 0.995 239 L CA -0.980 53.875 54.840 0.025 0.000 0.821 239 L CB 2.233 44.402 42.059 0.183 0.000 1.383 239 L HN 0.257 nan 8.230 nan 0.000 0.410 240 E N 0.904 120.938 120.200 -0.276 0.000 2.199 240 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 240 E C -1.432 174.967 176.600 -0.335 0.000 0.899 240 E CA -0.467 55.599 56.400 -0.556 0.000 0.772 240 E CB 2.538 31.433 29.700 -1.342 0.000 1.155 240 E HN 0.433 nan 8.360 nan 0.000 0.408 241 H N 1.378 120.183 119.070 -0.441 0.000 2.731 241 H HA 0.449 5.005 4.556 -0.000 0.000 0.368 241 H C -1.251 174.016 175.328 -0.101 0.000 1.168 241 H CA -0.577 55.175 56.048 -0.493 0.000 1.181 241 H CB 2.076 31.075 29.762 -1.272 0.000 1.743 241 H HN 0.586 nan 8.280 nan 0.000 0.547 242 H N 1.573 120.263 119.070 -0.632 0.000 2.759 242 H HA 0.182 4.738 4.556 -0.001 0.000 0.354 242 H C -0.543 174.559 175.328 -0.377 0.000 1.074 242 H CA -0.521 55.362 56.048 -0.275 0.000 1.226 242 H CB 1.260 30.951 29.762 -0.118 0.000 1.648 242 H HN 0.742 nan 8.280 nan 0.000 0.529 243 D N 3.112 123.063 120.400 -0.749 0.000 2.516 243 D HA -0.110 4.530 4.640 -0.000 0.000 0.241 243 D C 0.482 176.580 176.300 -0.337 0.000 1.246 243 D CA -0.102 53.651 54.000 -0.412 0.000 0.808 243 D CB -0.515 40.246 40.800 -0.063 0.000 1.147 243 D HN 0.474 nan 8.370 nan 0.000 0.527 244 Y N 2.103 121.945 120.300 -0.763 0.000 2.206 244 Y HA 0.196 4.746 4.550 -0.001 0.000 0.292 244 Y C 0.936 176.740 175.900 -0.160 0.000 1.123 244 Y CA 1.066 58.997 58.100 -0.282 0.000 1.142 244 Y CB 0.322 38.727 38.460 -0.090 0.000 1.006 244 Y HN -0.232 nan 8.280 nan 0.000 0.518 245 R N 0.819 121.295 120.500 -0.039 0.000 3.311 245 R HA 0.300 4.640 4.340 -0.000 0.000 0.332 245 R C -0.658 175.607 176.300 -0.058 0.000 1.317 245 R CA -0.008 55.989 56.100 -0.171 0.000 1.192 245 R CB -0.204 30.024 30.300 -0.118 0.000 1.454 245 R HN 0.173 nan 8.270 nan 0.000 0.605 246 S N -1.066 114.589 115.700 -0.074 0.000 2.543 246 S HA 0.189 4.659 4.470 -0.000 0.000 0.274 246 S C -0.313 174.285 174.600 -0.004 0.000 1.149 246 S CA -0.643 57.557 58.200 -0.000 0.000 0.866 246 S CB 0.967 64.191 63.200 0.040 0.000 1.111 246 S HN 0.244 nan 8.310 nan 0.000 0.457 247 Y N 3.314 123.567 120.300 -0.078 0.000 2.153 247 Y HA 0.111 4.660 4.550 -0.001 0.000 0.289 247 Y C 1.363 177.220 175.900 -0.072 0.000 1.119 247 Y CA 1.913 59.922 58.100 -0.152 0.000 1.116 247 Y CB -0.372 37.893 38.460 -0.325 0.000 1.004 247 Y HN 0.828 nan 8.280 nan 0.000 0.501 248 Y N -0.112 120.241 120.300 0.088 0.000 2.397 248 Y HA 0.379 4.929 4.550 -0.000 0.000 0.292 248 Y C 1.285 177.235 175.900 0.082 0.000 1.115 248 Y CA 0.534 58.689 58.100 0.091 0.000 1.208 248 Y CB -0.210 38.414 38.460 0.273 0.000 1.046 248 Y HN 0.187 nan 8.280 nan 0.000 0.552 249 G N 0.431 109.339 108.800 0.180 0.000 2.459 249 G HA2 0.136 4.096 3.960 -0.000 0.000 0.685 249 G HA3 0.136 4.096 3.960 -0.000 0.000 0.685 249 G C -1.313 173.537 174.900 -0.083 0.000 1.303 249 G CA -0.611 44.474 45.100 -0.024 0.000 0.907 249 G HN 0.368 nan 8.290 nan 0.000 0.632 250 I N -2.499 117.827 120.570 -0.405 0.000 2.722 250 I HA 0.748 4.918 4.170 -0.000 0.000 0.295 250 I C -0.142 175.749 176.117 -0.377 0.000 1.161 250 I CA -1.558 59.616 61.300 -0.210 0.000 1.032 250 I CB 2.209 40.243 38.000 0.057 0.000 1.244 250 I HN 0.455 nan 8.210 nan 0.000 0.421 251 V N 4.300 124.114 119.914 -0.167 0.000 2.470 251 V HA 0.066 4.185 4.120 -0.000 0.000 0.276 251 V C 0.696 176.749 176.094 -0.068 0.000 1.040 251 V CA -0.031 62.191 62.300 -0.130 0.000 1.008 251 V CB 0.761 32.549 31.823 -0.059 0.000 0.990 251 V HN 1.072 nan 8.190 nan 0.000 0.477 252 C N 4.767 124.033 119.300 -0.057 0.000 2.674 252 C HA 0.511 4.971 4.460 -0.000 0.000 0.276 252 C C 0.287 175.302 174.990 0.042 0.000 1.300 252 C CA -0.029 59.013 59.018 0.041 0.000 1.732 252 C CB -0.599 27.226 27.740 0.142 0.000 2.076 252 C HN 0.705 nan 8.230 nan 0.000 0.548 253 L N -0.237 120.958 121.223 -0.048 0.000 2.582 253 L HA 0.634 4.973 4.340 -0.000 0.000 0.257 253 L C -1.307 175.498 176.870 -0.109 0.000 0.974 253 L CA -0.385 54.411 54.840 -0.073 0.000 0.851 253 L CB 1.678 43.701 42.059 -0.060 0.000 1.424 253 L HN 0.147 nan 8.230 nan 0.000 0.412 254 M N 2.876 122.414 119.600 -0.103 0.000 2.263 254 M HA 0.583 5.063 4.480 -0.000 0.000 0.295 254 M C -1.816 174.440 176.300 -0.073 0.000 1.028 254 M CA -0.365 54.895 55.300 -0.067 0.000 0.921 254 M CB 1.914 34.489 32.600 -0.042 0.000 1.601 254 M HN 0.712 nan 8.290 nan 0.000 0.440 255 Q N 4.964 124.727 119.800 -0.063 0.000 2.322 255 Q HA 0.696 5.035 4.340 -0.000 0.000 0.265 255 Q C -1.346 174.620 176.000 -0.056 0.000 0.985 255 Q CA -0.101 55.670 55.803 -0.052 0.000 0.849 255 Q CB 2.489 31.193 28.738 -0.056 0.000 1.274 255 Q HN 0.692 nan 8.270 nan 0.000 0.449 256 I N 1.261 121.829 120.570 -0.003 0.000 2.478 256 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 256 I C -0.710 175.442 176.117 0.058 0.000 1.042 256 I CA -0.630 60.672 61.300 0.003 0.000 1.067 256 I CB 2.096 40.123 38.000 0.045 0.000 1.233 256 I HN 0.444 nan 8.210 nan 0.000 0.431 257 S N 3.430 119.109 115.700 -0.035 0.000 2.472 257 S HA 0.644 5.113 4.470 -0.000 0.000 0.303 257 S C 0.100 174.670 174.600 -0.050 0.000 1.099 257 S CA -0.647 57.521 58.200 -0.053 0.000 1.077 257 S CB 1.946 65.071 63.200 -0.124 0.000 1.031 257 S HN 0.751 nan 8.310 nan 0.000 0.487 258 T N 0.382 114.917 114.554 -0.031 0.000 2.922 258 T HA 0.466 4.816 4.350 -0.000 0.000 0.281 258 T C 1.115 175.766 174.700 -0.082 0.000 1.005 258 T CA -0.932 61.151 62.100 -0.028 0.000 0.982 258 T CB 0.654 69.540 68.868 0.030 0.000 1.158 258 T HN 0.328 nan 8.240 nan 0.000 0.566 259 R N 0.456 120.916 120.500 -0.066 0.000 2.120 259 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 259 R C 1.957 178.199 176.300 -0.097 0.000 1.123 259 R CA 1.137 57.189 56.100 -0.080 0.000 0.975 259 R CB -0.505 29.766 30.300 -0.047 0.000 0.866 259 R HN 0.690 nan 8.270 nan 0.000 0.446 260 E N 0.032 120.184 120.200 -0.080 0.000 2.127 260 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 260 E C 0.446 176.965 176.600 -0.135 0.000 0.964 260 E CA 0.626 56.973 56.400 -0.088 0.000 0.832 260 E CB 0.382 30.047 29.700 -0.057 0.000 0.790 260 E HN 0.068 nan 8.360 nan 0.000 0.465 261 R N 0.639 121.035 120.500 -0.173 0.000 2.855 261 R HA 0.385 4.724 4.340 -0.000 0.000 0.266 261 R C -0.976 175.120 176.300 -0.341 0.000 1.034 261 R CA -0.651 55.275 56.100 -0.291 0.000 0.944 261 R CB 0.903 30.951 30.300 -0.421 0.000 1.219 261 R HN -0.081 nan 8.270 nan 0.000 0.474 262 D N 1.224 121.387 120.400 -0.397 0.000 2.308 262 D HA 0.340 4.980 4.640 -0.000 0.000 0.242 262 D C -0.672 175.394 176.300 -0.391 0.000 1.059 262 D CA -0.117 53.696 54.000 -0.311 0.000 0.830 262 D CB 1.140 41.785 40.800 -0.258 0.000 1.161 262 D HN 0.216 nan 8.370 nan 0.000 0.494 263 Y N 0.737 120.978 120.300 -0.099 0.000 2.387 263 Y HA 0.471 5.020 4.550 -0.000 0.000 0.336 263 Y C 0.181 176.019 175.900 -0.103 0.000 1.067 263 Y CA -0.789 57.255 58.100 -0.094 0.000 1.114 263 Y CB 1.637 40.038 38.460 -0.098 0.000 1.208 263 Y HN 0.109 nan 8.280 nan 0.000 0.458 264 L N 4.282 125.530 121.223 0.043 0.000 2.342 264 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 264 L C -1.193 175.462 176.870 -0.358 0.000 0.997 264 L CA -0.938 53.861 54.840 -0.069 0.000 0.838 264 L CB 1.329 43.457 42.059 0.116 0.000 1.224 264 L HN 0.328 nan 8.230 nan 0.000 0.416 265 V N 1.489 121.204 119.914 -0.332 0.000 2.398 265 V HA 0.194 4.313 4.120 -0.000 0.000 0.286 265 V C -0.023 175.802 176.094 -0.447 0.000 1.026 265 V CA -0.636 61.413 62.300 -0.418 0.000 0.868 265 V CB 1.840 33.517 31.823 -0.244 0.000 0.982 265 V HN 0.592 nan 8.190 nan 0.000 0.443 266 D N 3.869 123.927 120.400 -0.570 0.000 2.359 266 D HA 0.049 4.689 4.640 -0.000 0.000 0.250 266 D C 1.422 177.636 176.300 -0.142 0.000 1.264 266 D CA 0.170 53.993 54.000 -0.295 0.000 0.911 266 D CB 1.438 42.136 40.800 -0.170 0.000 1.056 266 D HN 0.774 nan 8.370 nan 0.000 0.499 267 T N 0.912 115.412 114.554 -0.089 0.000 3.118 267 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 267 T C 2.052 176.744 174.700 -0.013 0.000 1.139 267 T CA 0.177 62.236 62.100 -0.069 0.000 1.085 267 T CB 0.078 68.906 68.868 -0.067 0.000 0.934 267 T HN 0.317 nan 8.240 nan 0.000 0.518 268 L N 0.322 121.582 121.223 0.062 0.000 2.034 268 L HA 0.188 4.528 4.340 -0.000 0.000 0.203 268 L C 2.915 179.894 176.870 0.180 0.000 1.074 268 L CA 1.191 56.143 54.840 0.187 0.000 0.748 268 L CB -0.419 41.758 42.059 0.197 0.000 0.905 268 L HN 0.163 nan 8.230 nan 0.000 0.439 269 K N 0.516 120.985 120.400 0.115 0.000 2.283 269 K HA -0.061 4.258 4.320 -0.000 0.000 0.202 269 K C 1.294 177.917 176.600 0.038 0.000 1.048 269 K CA 0.879 57.222 56.287 0.094 0.000 0.948 269 K CB 0.205 32.757 32.500 0.088 0.000 0.742 269 K HN 0.267 nan 8.250 nan 0.000 0.458 270 L N 0.542 121.757 121.223 -0.014 0.000 3.110 270 L HA 0.240 4.579 4.340 -0.000 0.000 0.266 270 L C 1.581 178.405 176.870 -0.075 0.000 1.257 270 L CA -0.329 54.479 54.840 -0.053 0.000 1.038 270 L CB 0.254 42.254 42.059 -0.098 0.000 1.395 270 L HN 0.083 nan 8.230 nan 0.000 0.566 271 R N 1.002 121.452 120.500 -0.082 0.000 2.096 271 R HA -0.221 4.118 4.340 -0.000 0.000 0.240 271 R C 1.417 177.648 176.300 -0.115 0.000 1.139 271 R CA 1.940 57.945 56.100 -0.159 0.000 0.952 271 R CB 0.267 30.354 30.300 -0.355 0.000 0.854 271 R HN 0.302 nan 8.270 nan 0.000 0.436 272 E N -0.522 119.638 120.200 -0.067 0.000 2.435 272 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 272 E C 1.056 177.718 176.600 0.104 0.000 1.029 272 E CA 0.864 57.266 56.400 0.004 0.000 0.865 272 E CB 0.150 29.854 29.700 0.007 0.000 0.833 272 E HN 0.560 nan 8.360 nan 0.000 0.510 273 N N -0.214 118.492 118.700 0.011 0.000 2.432 273 N HA 0.061 4.800 4.740 -0.000 0.000 0.174 273 N C 1.333 176.685 175.510 -0.263 0.000 1.037 273 N CA 0.074 53.076 53.050 -0.081 0.000 0.892 273 N CB 0.141 38.567 38.487 -0.102 0.000 1.049 273 N HN 0.067 nan 8.380 nan 0.000 0.442 274 L N 2.454 123.569 121.223 -0.180 0.000 2.450 274 L HA -0.197 4.143 4.340 -0.000 0.000 0.225 274 L C 2.519 179.229 176.870 -0.268 0.000 1.145 274 L CA 0.882 55.579 54.840 -0.238 0.000 0.801 274 L CB -0.931 41.011 42.059 -0.195 0.000 0.924 274 L HN 0.492 nan 8.230 nan 0.000 0.447 275 H N 0.688 119.681 119.070 -0.128 0.000 2.489 275 H HA -0.181 4.374 4.556 -0.000 0.000 0.295 275 H C 2.019 177.288 175.328 -0.097 0.000 1.082 275 H CA 1.589 57.579 56.048 -0.097 0.000 1.295 275 H CB -0.688 29.050 29.762 -0.039 0.000 1.380 275 H HN 0.635 nan 8.280 nan 0.000 0.548 276 I N -0.886 119.344 120.570 -0.566 0.000 2.916 276 I HA -0.118 4.052 4.170 -0.000 0.000 0.267 276 I C 1.852 177.837 176.117 -0.220 0.000 1.263 276 I CA 0.701 61.806 61.300 -0.326 0.000 1.471 276 I CB -0.436 37.354 38.000 -0.351 0.000 1.089 276 I HN 0.069 nan 8.210 nan 0.000 0.468 277 L N 1.152 122.190 121.223 -0.307 0.000 2.465 277 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 277 L C 2.046 178.745 176.870 -0.285 0.000 1.145 277 L CA 0.478 55.088 54.840 -0.383 0.000 0.834 277 L CB -0.962 40.647 42.059 -0.750 0.000 0.944 277 L HN 0.361 nan 8.230 nan 0.000 0.451 278 N N 0.579 119.186 118.700 -0.156 0.000 2.272 278 N HA -0.238 4.502 4.740 -0.000 0.000 0.185 278 N C 1.699 177.239 175.510 0.051 0.000 1.014 278 N CA 1.067 54.117 53.050 -0.001 0.000 0.870 278 N CB 0.014 38.571 38.487 0.117 0.000 0.975 278 N HN 0.449 nan 8.380 nan 0.000 0.433 279 E N 0.381 120.600 120.200 0.031 0.000 2.160 279 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 279 E C 1.368 178.008 176.600 0.066 0.000 0.991 279 E CA 0.911 57.340 56.400 0.048 0.000 0.810 279 E CB 0.357 30.068 29.700 0.019 0.000 0.742 279 E HN 0.118 nan 8.360 nan 0.000 0.466 280 V N -0.440 119.534 119.914 0.099 0.000 2.788 280 V HA -0.069 4.051 4.120 -0.000 0.000 0.241 280 V C 1.632 177.875 176.094 0.248 0.000 1.083 280 V CA 0.458 62.850 62.300 0.153 0.000 1.103 280 V CB -0.358 31.566 31.823 0.168 0.000 0.800 280 V HN 0.184 nan 8.190 nan 0.000 0.476 281 F N 2.052 121.987 119.950 -0.025 0.000 2.333 281 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 281 F C 2.342 178.107 175.800 -0.058 0.000 1.083 281 F CA 1.685 59.676 58.000 -0.014 0.000 1.395 281 F CB -0.930 38.070 39.000 -0.001 0.000 1.056 281 F HN 0.362 nan 8.300 nan 0.000 0.529 282 T N -3.975 110.623 114.554 0.073 0.000 3.085 282 T HA 0.118 4.468 4.350 -0.000 0.000 0.264 282 T C 0.517 175.210 174.700 -0.011 0.000 1.019 282 T CA -0.367 61.675 62.100 -0.097 0.000 0.910 282 T CB -0.492 68.126 68.868 -0.417 0.000 1.059 282 T HN -0.042 nan 8.240 nan 0.000 0.542 283 N N 3.602 122.323 118.700 0.036 0.000 2.402 283 N HA 0.187 4.926 4.740 -0.000 0.000 0.252 283 N C -1.449 174.076 175.510 0.025 0.000 1.118 283 N CA -2.249 50.825 53.050 0.039 0.000 0.945 283 N CB 1.743 40.259 38.487 0.048 0.000 1.147 283 N HN 0.098 nan 8.380 nan 0.000 0.495 284 P HA -0.050 nan 4.420 nan 0.000 0.228 284 P C 0.477 177.800 177.300 0.039 0.000 1.151 284 P CA 0.739 63.834 63.100 -0.008 0.000 0.770 284 P CB 0.382 32.045 31.700 -0.061 0.000 0.786 285 S N -0.512 115.212 115.700 0.040 0.000 2.562 285 S HA 0.126 4.595 4.470 -0.000 0.000 0.221 285 S C 1.078 175.709 174.600 0.051 0.000 0.975 285 S CA 0.276 58.507 58.200 0.051 0.000 0.918 285 S CB -0.297 62.926 63.200 0.039 0.000 0.772 285 S HN 0.182 nan 8.310 nan 0.000 0.531 286 I N 1.851 122.446 120.570 0.042 0.000 2.418 286 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 286 I C -0.622 175.503 176.117 0.013 0.000 1.008 286 I CA -0.777 60.535 61.300 0.020 0.000 1.104 286 I CB 1.910 39.914 38.000 0.008 0.000 1.264 286 I HN -0.179 nan 8.210 nan 0.000 0.438 287 V N 6.149 126.053 119.914 -0.016 0.000 2.614 287 V HA 0.178 4.297 4.120 -0.000 0.000 0.291 287 V C 0.083 176.096 176.094 -0.135 0.000 1.049 287 V CA -0.319 61.950 62.300 -0.051 0.000 1.038 287 V CB 0.990 32.714 31.823 -0.164 0.000 0.980 287 V HN 0.567 nan 8.190 nan 0.000 0.481 288 K N 3.402 123.755 120.400 -0.078 0.000 2.367 288 K HA 0.547 4.867 4.320 -0.000 0.000 0.263 288 K C -1.003 175.602 176.600 0.009 0.000 1.000 288 K CA -0.264 55.956 56.287 -0.112 0.000 0.891 288 K CB 1.732 34.191 32.500 -0.069 0.000 1.117 288 K HN 0.471 nan 8.250 nan 0.000 0.443 289 V N 5.186 125.013 119.914 -0.145 0.000 2.383 289 V HA 0.502 4.622 4.120 -0.000 0.000 0.275 289 V C -0.521 175.579 176.094 0.010 0.000 1.036 289 V CA -0.542 61.747 62.300 -0.018 0.000 0.889 289 V CB 0.115 31.819 31.823 -0.198 0.000 0.985 289 V HN 0.542 nan 8.190 nan 0.000 0.459 290 F N 2.185 122.164 119.950 0.048 0.000 2.588 290 F HA 0.510 5.037 4.527 -0.000 0.000 0.314 290 F C -0.120 175.763 175.800 0.137 0.000 1.069 290 F CA -0.906 57.131 58.000 0.062 0.000 0.931 290 F CB 2.050 41.056 39.000 0.010 0.000 1.260 290 F HN 0.518 nan 8.300 nan 0.000 0.465 291 H N 0.585 119.832 119.070 0.295 0.000 2.595 291 H HA 0.481 5.037 4.556 -0.000 0.000 0.313 291 H C 0.248 175.700 175.328 0.207 0.000 1.023 291 H CA -0.086 56.110 56.048 0.246 0.000 1.218 291 H CB 0.901 30.795 29.762 0.220 0.000 1.403 291 H HN 0.831 nan 8.280 nan 0.000 0.477 292 G N 3.697 112.376 108.800 -0.201 0.000 2.374 292 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.289 292 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.289 292 G C 0.699 175.656 174.900 0.096 0.000 1.004 292 G CA 0.352 45.371 45.100 -0.136 0.000 1.292 292 G HN 0.944 nan 8.290 nan 0.000 0.502 293 A N 0.980 123.818 122.820 0.031 0.000 2.278 293 A HA 0.471 4.790 4.320 -0.000 0.000 0.212 293 A C 1.787 179.245 177.584 -0.210 0.000 1.213 293 A CA 1.071 53.026 52.037 -0.136 0.000 0.840 293 A CB -0.556 18.191 19.000 -0.421 0.000 0.866 293 A HN 1.616 nan 8.150 nan 0.000 0.489 294 F N -2.022 117.730 119.950 -0.330 0.000 2.115 294 F HA -0.258 4.269 4.527 -0.000 0.000 0.300 294 F C 1.896 177.393 175.800 -0.504 0.000 1.092 294 F CA 1.406 59.204 58.000 -0.337 0.000 1.245 294 F CB -0.586 38.253 39.000 -0.268 0.000 0.995 294 F HN 0.139 nan 8.300 nan 0.000 0.481 295 M N 0.634 119.407 119.600 -1.379 0.000 2.435 295 M HA -0.042 4.437 4.480 -0.000 0.000 0.265 295 M C 1.575 176.916 176.300 -1.599 0.000 1.104 295 M CA 0.823 55.098 55.300 -1.708 0.000 1.140 295 M CB -0.953 30.301 32.600 -2.244 0.000 1.372 295 M HN 0.196 nan 8.290 nan 0.000 0.456 296 D N 1.065 120.857 120.400 -1.014 0.000 2.123 296 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 296 D C 2.030 178.116 176.300 -0.357 0.000 0.992 296 D CA 1.159 54.885 54.000 -0.457 0.000 0.833 296 D CB 0.054 40.778 40.800 -0.126 0.000 0.954 296 D HN 0.212 nan 8.370 nan 0.000 0.455 297 I N 1.401 121.712 120.570 -0.432 0.000 2.208 297 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 297 I C 2.418 178.352 176.117 -0.305 0.000 1.097 297 I CA 0.746 61.855 61.300 -0.318 0.000 1.363 297 I CB -0.814 37.033 38.000 -0.254 0.000 1.051 297 I HN 0.023 nan 8.210 nan 0.000 0.413 298 I N -0.307 120.009 120.570 -0.423 0.000 2.142 298 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 298 I C 2.577 178.484 176.117 -0.349 0.000 1.078 298 I CA 1.381 62.446 61.300 -0.393 0.000 1.343 298 I CB -1.378 36.289 38.000 -0.554 0.000 1.046 298 I HN 0.286 nan 8.210 nan 0.000 0.405 299 W N 1.300 122.352 121.300 -0.414 0.000 2.338 299 W HA -0.152 4.508 4.660 -0.000 0.000 0.304 299 W C 2.643 178.992 176.519 -0.284 0.000 1.212 299 W CA 0.530 57.661 57.345 -0.356 0.000 1.264 299 W CB -1.569 27.717 29.460 -0.290 0.000 1.142 299 W HN 0.157 nan 8.180 nan 0.000 0.512 300 L N 0.270 121.478 121.223 -0.025 0.000 2.042 300 L HA -0.287 4.052 4.340 -0.000 0.000 0.210 300 L C 2.800 179.528 176.870 -0.235 0.000 1.076 300 L CA 2.200 56.986 54.840 -0.091 0.000 0.749 300 L CB -0.974 41.046 42.059 -0.064 0.000 0.893 300 L HN 0.133 nan 8.230 nan 0.000 0.432 301 Q N 0.136 119.725 119.800 -0.352 0.000 2.062 301 Q HA -0.235 4.105 4.340 -0.000 0.000 0.196 301 Q C 2.246 178.143 176.000 -0.172 0.000 0.967 301 Q CA 1.101 56.665 55.803 -0.398 0.000 0.832 301 Q CB -0.499 27.980 28.738 -0.432 0.000 0.899 301 Q HN 0.373 nan 8.270 nan 0.000 0.442 302 R N 0.863 121.133 120.500 -0.383 0.000 2.117 302 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 302 R C 0.627 176.838 176.300 -0.149 0.000 1.143 302 R CA 2.230 58.032 56.100 -0.496 0.000 0.968 302 R CB 0.051 29.721 30.300 -1.050 0.000 0.863 302 R HN 0.327 nan 8.270 nan 0.000 0.444 303 D N -1.132 119.190 120.400 -0.130 0.000 2.422 303 D HA 0.108 4.747 4.640 -0.000 0.000 0.218 303 D C 1.068 177.314 176.300 -0.090 0.000 1.047 303 D CA 0.618 54.564 54.000 -0.091 0.000 0.885 303 D CB 0.566 41.307 40.800 -0.098 0.000 1.035 303 D HN 0.269 nan 8.370 nan 0.000 0.502 304 L N -1.065 120.107 121.223 -0.085 0.000 3.086 304 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 304 L C 0.974 177.815 176.870 -0.047 0.000 1.184 304 L CA -0.052 54.741 54.840 -0.078 0.000 1.002 304 L CB 0.712 42.709 42.059 -0.103 0.000 1.383 304 L HN -0.008 nan 8.230 nan 0.000 0.582 305 G N 1.874 110.644 108.800 -0.049 0.000 2.305 305 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 305 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 305 G C -0.116 174.753 174.900 -0.053 0.000 1.036 305 G CA 0.322 45.430 45.100 0.014 0.000 0.887 305 G HN 0.249 nan 8.290 nan 0.000 0.505 306 L N -0.997 120.046 121.223 -0.301 0.000 2.334 306 L HA 0.776 5.116 4.340 -0.000 0.000 0.276 306 L C 0.084 176.641 176.870 -0.522 0.000 1.014 306 L CA -1.297 53.401 54.840 -0.236 0.000 0.815 306 L CB 1.483 43.426 42.059 -0.193 0.000 1.268 306 L HN 0.174 nan 8.230 nan 0.000 0.428 307 Y N 0.839 121.183 120.300 0.074 0.000 2.605 307 Y HA 0.641 5.191 4.550 -0.000 0.000 0.343 307 Y C -0.387 175.537 175.900 0.040 0.000 1.036 307 Y CA -0.939 57.196 58.100 0.059 0.000 1.065 307 Y CB 2.226 40.735 38.460 0.082 0.000 1.288 307 Y HN 0.051 nan 8.280 nan 0.000 0.481 308 V N 2.374 122.387 119.914 0.166 0.000 2.531 308 V HA 0.570 4.689 4.120 -0.000 0.000 0.301 308 V C -1.158 174.942 176.094 0.010 0.000 1.034 308 V CA -0.817 61.522 62.300 0.066 0.000 0.865 308 V CB 1.646 33.455 31.823 -0.022 0.000 0.995 308 V HN 0.504 nan 8.190 nan 0.000 0.424 309 V N 3.195 123.092 119.914 -0.029 0.000 2.443 309 V HA 0.839 4.959 4.120 -0.000 0.000 0.293 309 V C 0.652 176.737 176.094 -0.015 0.000 1.021 309 V CA 0.289 62.562 62.300 -0.046 0.000 0.848 309 V CB 1.246 33.023 31.823 -0.078 0.000 0.998 309 V HN 1.214 nan 8.190 nan 0.000 0.424 310 G N 4.108 112.924 108.800 0.026 0.000 2.237 310 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.153 310 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.153 310 G C -0.712 174.332 174.900 0.240 0.000 1.039 310 G CA -0.088 45.118 45.100 0.177 0.000 0.719 310 G HN 0.777 nan 8.290 nan 0.000 0.491 311 L N 0.345 121.692 121.223 0.206 0.000 2.395 311 L HA 0.884 5.223 4.340 -0.000 0.000 0.269 311 L C -0.349 176.644 176.870 0.205 0.000 1.133 311 L CA -0.941 53.993 54.840 0.158 0.000 0.812 311 L CB 0.851 42.927 42.059 0.028 0.000 1.125 311 L HN 0.252 nan 8.230 nan 0.000 0.452 312 F N 4.499 124.481 119.950 0.054 0.000 2.553 312 F HA 0.346 4.872 4.527 -0.000 0.000 0.335 312 F C -0.727 175.128 175.800 0.092 0.000 1.148 312 F CA -0.723 57.303 58.000 0.044 0.000 0.963 312 F CB 0.876 39.878 39.000 0.002 0.000 1.217 312 F HN 0.492 nan 8.300 nan 0.000 0.441 313 D N 4.073 124.359 120.400 -0.190 0.000 2.317 313 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 313 D C 1.194 177.450 176.300 -0.074 0.000 1.112 313 D CA 0.127 54.120 54.000 -0.012 0.000 0.840 313 D CB 1.906 42.745 40.800 0.064 0.000 1.078 313 D HN 0.733 nan 8.370 nan 0.000 0.486 314 T N 1.468 116.128 114.554 0.176 0.000 2.962 314 T HA -0.208 4.142 4.350 -0.000 0.000 0.270 314 T C 1.827 176.590 174.700 0.104 0.000 1.088 314 T CA 0.604 62.872 62.100 0.280 0.000 1.127 314 T CB -0.377 68.787 68.868 0.494 0.000 0.883 314 T HN 0.504 nan 8.240 nan 0.000 0.493 315 Y N 1.968 122.057 120.300 -0.351 0.000 2.163 315 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 315 Y C 2.544 178.238 175.900 -0.343 0.000 1.136 315 Y CA 1.464 59.276 58.100 -0.481 0.000 1.147 315 Y CB -0.631 37.364 38.460 -0.776 0.000 0.987 315 Y HN 0.279 nan 8.280 nan 0.000 0.509 316 H N -0.212 118.628 119.070 -0.383 0.000 2.457 316 H HA 0.020 4.576 4.556 -0.000 0.000 0.294 316 H C 2.264 177.359 175.328 -0.387 0.000 1.064 316 H CA 1.016 56.786 56.048 -0.463 0.000 1.330 316 H CB -0.428 29.160 29.762 -0.290 0.000 1.395 316 H HN 0.541 nan 8.280 nan 0.000 0.541 317 A N 0.425 123.131 122.820 -0.190 0.000 1.897 317 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 317 A C 2.650 180.185 177.584 -0.081 0.000 1.181 317 A CA 1.463 53.435 52.037 -0.109 0.000 0.620 317 A CB -0.388 18.641 19.000 0.049 0.000 0.821 317 A HN 0.301 nan 8.150 nan 0.000 0.443 318 S N -0.075 115.570 115.700 -0.092 0.000 2.382 318 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 318 S C 1.936 176.365 174.600 -0.284 0.000 1.027 318 S CA 1.534 59.710 58.200 -0.040 0.000 0.991 318 S CB -0.201 63.079 63.200 0.133 0.000 0.823 318 S HN 0.592 nan 8.310 nan 0.000 0.469 319 K N 1.341 121.341 120.400 -0.666 0.000 2.025 319 K HA 0.029 4.348 4.320 -0.000 0.000 0.207 319 K C 2.493 178.907 176.600 -0.309 0.000 1.049 319 K CA 1.113 56.931 56.287 -0.781 0.000 0.933 319 K CB -0.356 31.652 32.500 -0.820 0.000 0.714 319 K HN 0.325 nan 8.250 nan 0.000 0.438 320 A N 1.451 124.141 122.820 -0.217 0.000 1.908 320 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 320 A C 2.063 179.613 177.584 -0.057 0.000 1.181 320 A CA 1.428 53.399 52.037 -0.111 0.000 0.627 320 A CB -0.602 18.343 19.000 -0.091 0.000 0.818 320 A HN 0.210 nan 8.150 nan 0.000 0.445 321 I N -1.193 119.355 120.570 -0.036 0.000 2.546 321 I HA 0.018 4.188 4.170 -0.000 0.000 0.255 321 I C 1.638 177.779 176.117 0.039 0.000 1.163 321 I CA 0.890 62.201 61.300 0.018 0.000 1.457 321 I CB -0.289 37.745 38.000 0.056 0.000 1.092 321 I HN 0.513 nan 8.210 nan 0.000 0.434 322 G N 1.696 110.517 108.800 0.035 0.000 2.165 322 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.226 322 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.226 322 G C 0.136 175.120 174.900 0.140 0.000 1.035 322 G CA -0.451 44.702 45.100 0.089 0.000 0.744 322 G HN 0.223 nan 8.290 nan 0.000 0.501 323 L N 0.154 121.495 121.223 0.197 0.000 2.483 323 L HA 0.186 4.526 4.340 -0.000 0.000 0.275 323 L C 0.370 177.243 176.870 0.004 0.000 1.220 323 L CA -1.189 53.756 54.840 0.175 0.000 0.833 323 L CB 0.360 42.605 42.059 0.309 0.000 1.102 323 L HN 0.047 nan 8.230 nan 0.000 0.490 324 P HA -0.131 nan 4.420 nan 0.000 0.216 324 P C 0.129 177.099 177.300 -0.550 0.000 1.150 324 P CA 1.506 64.441 63.100 -0.276 0.000 0.837 324 P CB 0.278 31.863 31.700 -0.192 0.000 0.786 325 R N -1.456 118.495 120.500 -0.914 0.000 2.854 325 R HA 0.371 4.711 4.340 -0.000 0.000 0.271 325 R C 0.300 176.279 176.300 -0.535 0.000 0.994 325 R CA -0.589 54.988 56.100 -0.871 0.000 0.945 325 R CB 0.940 30.699 30.300 -0.901 0.000 1.194 325 R HN 0.237 nan 8.270 nan 0.000 0.476 326 H N -1.207 117.848 119.070 -0.025 0.000 2.785 326 H HA 0.127 4.683 4.556 -0.000 0.000 0.268 326 H C 0.412 176.004 175.328 0.440 0.000 1.153 326 H CA -0.324 55.838 56.048 0.190 0.000 1.111 326 H CB 0.939 30.775 29.762 0.124 0.000 1.633 326 H HN 0.558 nan 8.280 nan 0.000 0.576 327 S N 0.312 116.257 115.700 0.409 0.000 2.632 327 S HA 0.036 4.506 4.470 -0.000 0.000 0.267 327 S C 1.305 175.963 174.600 0.097 0.000 1.276 327 S CA -0.725 57.684 58.200 0.348 0.000 0.998 327 S CB 1.597 64.936 63.200 0.231 0.000 0.953 327 S HN 0.216 nan 8.310 nan 0.000 0.547 328 L N 1.542 122.617 121.223 -0.247 0.000 2.056 328 L HA 0.123 4.462 4.340 -0.000 0.000 0.207 328 L C 2.567 179.430 176.870 -0.011 0.000 1.078 328 L CA 2.292 56.891 54.840 -0.401 0.000 0.749 328 L CB -1.597 40.302 42.059 -0.267 0.000 0.901 328 L HN 0.933 nan 8.230 nan 0.000 0.433 329 A N -1.266 121.605 122.820 0.086 0.000 1.940 329 A HA -0.302 4.017 4.320 -0.000 0.000 0.219 329 A C 2.306 179.960 177.584 0.117 0.000 1.176 329 A CA 1.905 54.017 52.037 0.126 0.000 0.631 329 A CB -1.215 17.866 19.000 0.135 0.000 0.814 329 A HN 0.663 nan 8.150 nan 0.000 0.446 330 Y N 0.434 120.772 120.300 0.063 0.000 2.200 330 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 330 Y C 1.928 177.886 175.900 0.096 0.000 1.137 330 Y CA 1.785 59.924 58.100 0.066 0.000 1.163 330 Y CB -0.288 38.223 38.460 0.085 0.000 0.988 330 Y HN 0.216 nan 8.280 nan 0.000 0.518 331 L N -0.546 120.756 121.223 0.132 0.000 2.017 331 L HA -0.245 4.094 4.340 -0.000 0.000 0.208 331 L C 2.468 179.414 176.870 0.126 0.000 1.073 331 L CA 1.277 56.249 54.840 0.220 0.000 0.745 331 L CB -0.681 41.544 42.059 0.277 0.000 0.894 331 L HN 0.284 nan 8.230 nan 0.000 0.432 332 L N -0.405 120.849 121.223 0.052 0.000 2.083 332 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 332 L C 2.607 179.430 176.870 -0.079 0.000 1.083 332 L CA 1.368 56.200 54.840 -0.013 0.000 0.752 332 L CB -0.505 41.597 42.059 0.071 0.000 0.899 332 L HN 0.376 nan 8.230 nan 0.000 0.433 333 E N 0.720 120.855 120.200 -0.109 0.000 2.072 333 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 333 E C 1.703 178.148 176.600 -0.259 0.000 0.985 333 E CA 1.608 57.906 56.400 -0.170 0.000 0.801 333 E CB 0.129 29.725 29.700 -0.173 0.000 0.750 333 E HN 0.512 nan 8.360 nan 0.000 0.452 334 N N -1.317 117.131 118.700 -0.420 0.000 2.395 334 N HA 0.016 4.756 4.740 -0.000 0.000 0.175 334 N C 0.741 175.874 175.510 -0.629 0.000 1.029 334 N CA 0.645 53.339 53.050 -0.593 0.000 0.897 334 N CB 0.199 38.130 38.487 -0.927 0.000 0.991 334 N HN 0.119 nan 8.380 nan 0.000 0.441 335 F N -0.893 118.976 119.950 -0.134 0.000 2.717 335 F HA 0.470 4.997 4.527 -0.000 0.000 0.297 335 F C 1.478 177.242 175.800 -0.059 0.000 1.113 335 F CA -0.196 57.765 58.000 -0.066 0.000 1.319 335 F CB 0.519 39.505 39.000 -0.023 0.000 1.097 335 F HN -0.044 nan 8.300 nan 0.000 0.595 336 A N -0.783 122.042 122.820 0.009 0.000 2.585 336 A HA 0.279 4.599 4.320 -0.000 0.000 0.266 336 A C 0.361 177.857 177.584 -0.148 0.000 1.178 336 A CA -0.263 51.713 52.037 -0.101 0.000 0.966 336 A CB -0.614 18.134 19.000 -0.420 0.000 1.170 336 A HN 0.214 nan 8.150 nan 0.000 0.558 337 N N -0.900 117.733 118.700 -0.112 0.000 2.686 337 N HA -0.208 4.531 4.740 -0.000 0.000 0.261 337 N C -0.818 174.652 175.510 -0.068 0.000 1.001 337 N CA 1.166 54.161 53.050 -0.092 0.000 0.764 337 N CB -1.334 37.121 38.487 -0.054 0.000 0.898 337 N HN 0.590 nan 8.380 nan 0.000 0.544 338 F N 0.511 120.285 119.950 -0.293 0.000 2.553 338 F HA 0.471 4.998 4.527 -0.000 0.000 0.335 338 F C -0.380 175.310 175.800 -0.182 0.000 1.148 338 F CA -1.091 56.735 58.000 -0.289 0.000 0.963 338 F CB 0.990 39.672 39.000 -0.529 0.000 1.217 338 F HN -0.224 nan 8.300 nan 0.000 0.441 339 K N 3.920 123.962 120.400 -0.597 0.000 2.297 339 K HA 0.425 4.745 4.320 -0.000 0.000 0.286 339 K C -0.085 176.152 176.600 -0.605 0.000 1.053 339 K CA -0.170 55.861 56.287 -0.426 0.000 0.940 339 K CB 1.118 33.435 32.500 -0.305 0.000 1.019 339 K HN 0.585 nan 8.250 nan 0.000 0.475 340 T N 0.366 114.791 114.554 -0.215 0.000 2.912 340 T HA 0.375 4.725 4.350 -0.000 0.000 0.280 340 T C -0.357 174.347 174.700 0.007 0.000 0.989 340 T CA -0.820 61.269 62.100 -0.020 0.000 0.995 340 T CB 1.342 70.332 68.868 0.203 0.000 1.077 340 T HN 0.375 nan 8.240 nan 0.000 0.531 341 S N 0.423 116.194 115.700 0.117 0.000 2.659 341 S HA 0.293 4.763 4.470 -0.000 0.000 0.312 341 S C 0.440 175.113 174.600 0.122 0.000 1.114 341 S CA -0.764 57.489 58.200 0.088 0.000 1.063 341 S CB 0.547 63.799 63.200 0.086 0.000 0.996 341 S HN 0.480 nan 8.310 nan 0.000 0.478 342 K N 3.219 123.655 120.400 0.061 0.000 2.668 342 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 342 K C 0.832 177.422 176.600 -0.017 0.000 1.016 342 K CA 0.163 56.491 56.287 0.069 0.000 1.131 342 K CB -0.160 32.374 32.500 0.057 0.000 0.891 342 K HN 0.550 nan 8.250 nan 0.000 0.499 343 K N -0.053 120.246 120.400 -0.168 0.000 2.520 343 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 343 K C -0.228 175.903 176.600 -0.781 0.000 1.035 343 K CA 0.198 56.215 56.287 -0.450 0.000 1.188 343 K CB 0.305 32.460 32.500 -0.575 0.000 0.894 343 K HN 0.009 nan 8.250 nan 0.000 0.497 344 Y N -1.842 118.530 120.300 0.120 0.000 2.729 344 Y HA 0.146 4.695 4.550 -0.000 0.000 0.266 344 Y C 0.537 176.619 175.900 0.304 0.000 1.064 344 Y CA -0.529 57.661 58.100 0.150 0.000 1.251 344 Y CB 0.770 39.375 38.460 0.242 0.000 1.379 344 Y HN 0.024 nan 8.280 nan 0.000 0.569 345 Q N 0.440 120.442 119.800 0.336 0.000 2.322 345 Q HA 0.171 4.511 4.340 -0.000 0.000 0.203 345 Q C 1.124 177.270 176.000 0.243 0.000 0.923 345 Q CA 0.438 56.439 55.803 0.329 0.000 0.949 345 Q CB 0.382 29.265 28.738 0.242 0.000 1.039 345 Q HN 0.450 nan 8.270 nan 0.000 0.496 346 L N -2.103 119.228 121.223 0.180 0.000 3.360 346 L HA 0.543 4.882 4.340 -0.000 0.000 0.303 346 L C -0.060 176.846 176.870 0.059 0.000 1.218 346 L CA -0.157 54.741 54.840 0.096 0.000 1.059 346 L CB 0.212 42.288 42.059 0.028 0.000 1.468 346 L HN -0.054 nan 8.230 nan 0.000 0.614 347 A N -0.346 122.511 122.820 0.062 0.000 2.313 347 A HA 0.364 4.683 4.320 -0.000 0.000 0.261 347 A C -0.404 177.105 177.584 -0.126 0.000 1.090 347 A CA -0.122 51.856 52.037 -0.099 0.000 0.807 347 A CB 0.058 18.919 19.000 -0.231 0.000 1.055 347 A HN 0.261 nan 8.150 nan 0.000 0.492 348 D N 0.499 120.793 120.400 -0.177 0.000 2.456 348 D HA 0.206 4.846 4.640 -0.000 0.000 0.219 348 D C -0.196 176.001 176.300 -0.171 0.000 1.126 348 D CA -0.331 53.624 54.000 -0.075 0.000 0.890 348 D CB 0.104 40.866 40.800 -0.063 0.000 1.025 348 D HN 0.497 nan 8.370 nan 0.000 0.511 349 W N 2.825 124.155 121.300 0.050 0.000 3.077 349 W HA 0.099 4.758 4.660 -0.000 0.000 0.245 349 W C 1.906 178.421 176.519 -0.006 0.000 1.316 349 W CA -0.312 57.057 57.345 0.039 0.000 1.537 349 W CB 0.191 29.687 29.460 0.060 0.000 1.131 349 W HN 0.300 nan 8.180 nan 0.000 0.695 350 R N 0.231 120.758 120.500 0.045 0.000 2.200 350 R HA 0.077 4.417 4.340 -0.000 0.000 0.208 350 R C 0.675 176.975 176.300 -0.000 0.000 1.033 350 R CA 0.254 56.339 56.100 -0.025 0.000 1.000 350 R CB -0.254 29.915 30.300 -0.218 0.000 0.906 350 R HN 0.140 nan 8.270 nan 0.000 0.462 351 I N 2.820 123.378 120.570 -0.021 0.000 2.668 351 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 351 I C 0.253 176.375 176.117 0.007 0.000 1.168 351 I CA 0.511 61.795 61.300 -0.027 0.000 1.424 351 I CB 0.223 38.185 38.000 -0.064 0.000 1.377 351 I HN -0.066 nan 8.210 nan 0.000 0.560 352 R N 6.323 126.821 120.500 -0.003 0.000 2.494 352 R HA 0.577 4.917 4.340 -0.000 0.000 0.305 352 R C -2.246 174.020 176.300 -0.056 0.000 0.959 352 R CA -1.791 54.302 56.100 -0.012 0.000 0.864 352 R CB 1.081 31.401 30.300 0.034 0.000 1.159 352 R HN 0.381 nan 8.270 nan 0.000 0.446 353 P HA 0.359 nan 4.420 nan 0.000 0.278 353 P C -0.204 176.999 177.300 -0.161 0.000 1.266 353 P CA -0.752 62.232 63.100 -0.194 0.000 0.807 353 P CB 0.652 32.207 31.700 -0.241 0.000 1.094 354 L N 0.383 121.476 121.223 -0.218 0.000 2.426 354 L HA 0.184 4.524 4.340 -0.000 0.000 0.271 354 L C 0.948 177.748 176.870 -0.117 0.000 1.169 354 L CA -0.376 54.399 54.840 -0.108 0.000 0.836 354 L CB 0.476 42.526 42.059 -0.016 0.000 1.112 354 L HN 0.545 nan 8.230 nan 0.000 0.465 355 S N 1.828 117.468 115.700 -0.100 0.000 2.585 355 S HA 0.154 4.623 4.470 -0.000 0.000 0.273 355 S C 0.822 175.385 174.600 -0.062 0.000 1.339 355 S CA -0.722 57.430 58.200 -0.080 0.000 1.028 355 S CB 1.257 64.415 63.200 -0.070 0.000 0.906 355 S HN 0.600 nan 8.310 nan 0.000 0.528 356 K N 1.778 122.157 120.400 -0.035 0.000 2.001 356 K HA -0.094 4.226 4.320 -0.000 0.000 0.214 356 K C -0.667 175.939 176.600 0.011 0.000 1.050 356 K CA 1.710 57.996 56.287 -0.002 0.000 0.934 356 K CB -1.464 31.045 32.500 0.014 0.000 0.718 356 K HN 0.603 nan 8.250 nan 0.000 0.443 357 P HA -0.162 nan 4.420 nan 0.000 0.218 357 P C 1.274 178.426 177.300 -0.246 0.000 1.148 357 P CA 1.605 64.694 63.100 -0.019 0.000 0.822 357 P CB -0.007 31.749 31.700 0.093 0.000 0.784 358 M N -1.207 118.204 119.600 -0.314 0.000 2.236 358 M HA -0.051 4.428 4.480 -0.000 0.000 0.266 358 M C 2.094 178.396 176.300 0.003 0.000 1.070 358 M CA 1.586 56.626 55.300 -0.433 0.000 1.137 358 M CB -0.877 31.442 32.600 -0.468 0.000 1.378 358 M HN -0.090 nan 8.290 nan 0.000 0.426 359 T N 0.779 115.364 114.554 0.051 0.000 2.777 359 T HA -0.070 4.279 4.350 -0.000 0.000 0.266 359 T C 1.843 176.648 174.700 0.176 0.000 1.040 359 T CA 1.512 63.700 62.100 0.148 0.000 1.141 359 T CB -0.206 68.711 68.868 0.082 0.000 0.868 359 T HN 0.470 nan 8.240 nan 0.000 0.444 360 A N 1.307 124.240 122.820 0.189 0.000 1.898 360 A HA 0.235 4.555 4.320 -0.000 0.000 0.216 360 A C 2.611 180.432 177.584 0.395 0.000 1.181 360 A CA 1.669 53.929 52.037 0.372 0.000 0.620 360 A CB -0.998 18.220 19.000 0.363 0.000 0.819 360 A HN 0.489 nan 8.150 nan 0.000 0.442 361 A N -0.229 122.737 122.820 0.242 0.000 1.930 361 A HA 0.210 4.530 4.320 -0.000 0.000 0.217 361 A C 2.438 180.201 177.584 0.299 0.000 1.175 361 A CA 1.913 54.124 52.037 0.290 0.000 0.627 361 A CB -0.816 18.256 19.000 0.121 0.000 0.815 361 A HN 0.961 nan 8.150 nan 0.000 0.443 362 A N -0.372 122.614 122.820 0.276 0.000 1.897 362 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 362 A C 2.234 179.881 177.584 0.105 0.000 1.181 362 A CA 1.462 53.590 52.037 0.151 0.000 0.620 362 A CB -0.463 18.622 19.000 0.142 0.000 0.821 362 A HN 0.526 nan 8.150 nan 0.000 0.443 363 R N -0.176 120.394 120.500 0.116 0.000 2.096 363 R HA -0.099 4.240 4.340 -0.000 0.000 0.235 363 R C 2.128 178.455 176.300 0.043 0.000 1.127 363 R CA 1.363 57.458 56.100 -0.007 0.000 0.968 363 R CB -0.364 29.820 30.300 -0.193 0.000 0.861 363 R HN 0.420 nan 8.270 nan 0.000 0.440 364 A N 0.866 123.820 122.820 0.224 0.000 2.070 364 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 364 A C 1.335 179.032 177.584 0.189 0.000 1.159 364 A CA 1.546 53.706 52.037 0.206 0.000 0.656 364 A CB -0.231 18.781 19.000 0.020 0.000 0.800 364 A HN 0.374 nan 8.150 nan 0.000 0.453 365 D N -0.626 119.865 120.400 0.152 0.000 2.269 365 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 365 D C 1.883 178.243 176.300 0.098 0.000 0.963 365 D CA 1.902 55.983 54.000 0.135 0.000 0.864 365 D CB -0.081 40.777 40.800 0.098 0.000 0.936 365 D HN 0.664 nan 8.370 nan 0.000 0.505 366 T N -3.536 111.048 114.554 0.050 0.000 2.958 366 T HA -0.041 4.309 4.350 -0.000 0.000 0.256 366 T C 1.669 176.343 174.700 -0.042 0.000 0.983 366 T CA -0.198 61.897 62.100 -0.009 0.000 0.924 366 T CB -0.063 68.761 68.868 -0.073 0.000 1.136 366 T HN 0.115 nan 8.240 nan 0.000 0.506 367 H N 0.757 119.710 119.070 -0.196 0.000 2.422 367 H HA -0.032 4.524 4.556 -0.000 0.000 0.298 367 H C 0.781 175.860 175.328 -0.415 0.000 1.098 367 H CA 1.526 57.328 56.048 -0.408 0.000 1.315 367 H CB -0.206 29.157 29.762 -0.665 0.000 1.382 367 H HN 0.515 nan 8.280 nan 0.000 0.523 368 F N -0.805 119.152 119.950 0.011 0.000 2.721 368 F HA 0.064 4.590 4.527 -0.001 0.000 0.301 368 F C 2.056 177.851 175.800 -0.008 0.000 1.096 368 F CA -0.286 57.710 58.000 -0.006 0.000 1.308 368 F CB -0.053 38.993 39.000 0.077 0.000 1.086 368 F HN 0.052 nan 8.300 nan 0.000 0.587 369 L N 0.451 121.762 121.223 0.147 0.000 2.083 369 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 369 L C 2.035 178.952 176.870 0.079 0.000 1.083 369 L CA 1.778 56.685 54.840 0.112 0.000 0.752 369 L CB -0.640 41.463 42.059 0.073 0.000 0.899 369 L HN 0.157 nan 8.230 nan 0.000 0.433 370 L N -0.690 120.545 121.223 0.021 0.000 2.131 370 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 370 L C 2.367 179.295 176.870 0.096 0.000 1.092 370 L CA 1.519 56.393 54.840 0.056 0.000 0.759 370 L CB -0.771 41.281 42.059 -0.011 0.000 0.903 370 L HN 0.497 nan 8.230 nan 0.000 0.435 371 N N 0.980 119.708 118.700 0.046 0.000 2.270 371 N HA -0.135 4.605 4.740 -0.000 0.000 0.181 371 N C 1.925 177.424 175.510 -0.019 0.000 1.016 371 N CA 0.959 54.021 53.050 0.020 0.000 0.870 371 N CB 0.160 38.678 38.487 0.053 0.000 0.979 371 N HN 0.316 nan 8.380 nan 0.000 0.431 372 I N 0.450 121.027 120.570 0.011 0.000 2.315 372 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 372 I C 2.312 178.377 176.117 -0.087 0.000 1.117 372 I CA 0.745 61.989 61.300 -0.093 0.000 1.404 372 I CB -0.431 37.572 38.000 0.005 0.000 1.071 372 I HN 0.175 nan 8.210 nan 0.000 0.419 373 Y N 2.212 122.427 120.300 -0.142 0.000 2.128 373 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 373 Y C 2.134 177.844 175.900 -0.317 0.000 1.154 373 Y CA 1.670 59.608 58.100 -0.270 0.000 1.149 373 Y CB -0.585 37.690 38.460 -0.308 0.000 0.976 373 Y HN 0.197 nan 8.280 nan 0.000 0.505 374 D N 0.145 120.245 120.400 -0.500 0.000 2.104 374 D HA -0.212 4.427 4.640 -0.000 0.000 0.194 374 D C 2.121 178.198 176.300 -0.373 0.000 0.994 374 D CA 1.887 55.565 54.000 -0.536 0.000 0.830 374 D CB -0.420 40.216 40.800 -0.273 0.000 0.959 374 D HN 0.587 nan 8.370 nan 0.000 0.452 375 Q N -0.069 119.570 119.800 -0.269 0.000 2.119 375 Q HA -0.046 4.294 4.340 -0.000 0.000 0.201 375 Q C 2.534 178.411 176.000 -0.205 0.000 0.972 375 Q CA 0.664 56.336 55.803 -0.218 0.000 0.847 375 Q CB 0.013 28.600 28.738 -0.251 0.000 0.903 375 Q HN 0.329 nan 8.270 nan 0.000 0.433 376 L N -0.030 121.063 121.223 -0.217 0.000 2.095 376 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 376 L C 2.656 179.510 176.870 -0.027 0.000 1.080 376 L CA 0.790 55.586 54.840 -0.072 0.000 0.759 376 L CB -0.444 41.652 42.059 0.062 0.000 0.914 376 L HN 0.171 nan 8.230 nan 0.000 0.439 377 R N 0.715 121.097 120.500 -0.198 0.000 2.080 377 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 377 R C 2.115 178.333 176.300 -0.136 0.000 1.137 377 R CA 1.955 57.928 56.100 -0.211 0.000 0.943 377 R CB -0.185 29.720 30.300 -0.659 0.000 0.846 377 R HN 0.369 nan 8.270 nan 0.000 0.431 378 N N 0.996 119.588 118.700 -0.180 0.000 2.104 378 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 378 N C 1.632 177.108 175.510 -0.056 0.000 1.024 378 N CA 1.372 54.355 53.050 -0.112 0.000 0.853 378 N CB -0.310 38.109 38.487 -0.112 0.000 1.008 378 N HN 0.143 nan 8.380 nan 0.000 0.424 379 K N 1.269 121.644 120.400 -0.042 0.000 2.148 379 K HA 0.075 4.395 4.320 -0.000 0.000 0.204 379 K C 1.923 178.526 176.600 0.004 0.000 1.050 379 K CA 0.704 56.986 56.287 -0.007 0.000 0.942 379 K CB -0.341 32.166 32.500 0.012 0.000 0.724 379 K HN 0.159 nan 8.250 nan 0.000 0.446 380 L N -0.093 121.136 121.223 0.011 0.000 2.044 380 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 380 L C 2.316 179.189 176.870 0.005 0.000 1.075 380 L CA 1.089 55.941 54.840 0.020 0.000 0.747 380 L CB -0.336 41.758 42.059 0.059 0.000 0.903 380 L HN 0.124 nan 8.230 nan 0.000 0.435 381 I N -0.159 120.408 120.570 -0.006 0.000 2.226 381 I HA -0.304 3.865 4.170 -0.000 0.000 0.245 381 I C 2.603 178.712 176.117 -0.012 0.000 1.100 381 I CA 1.397 62.689 61.300 -0.013 0.000 1.374 381 I CB -0.304 37.680 38.000 -0.027 0.000 1.057 381 I HN 0.358 nan 8.210 nan 0.000 0.413 382 E N 0.871 121.064 120.200 -0.013 0.000 2.265 382 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 382 E C 1.603 178.202 176.600 -0.003 0.000 0.996 382 E CA 1.552 57.947 56.400 -0.008 0.000 0.832 382 E CB 0.133 29.829 29.700 -0.007 0.000 0.756 382 E HN 0.531 nan 8.360 nan 0.000 0.491 383 S N -0.881 114.818 115.700 -0.001 0.000 2.650 383 S HA 0.128 4.598 4.470 -0.000 0.000 0.240 383 S C 0.388 174.985 174.600 -0.005 0.000 1.007 383 S CA 0.054 58.254 58.200 -0.000 0.000 0.984 383 S CB -0.065 63.138 63.200 0.004 0.000 0.910 383 S HN 0.432 nan 8.310 nan 0.000 0.509 384 N N 1.214 119.911 118.700 -0.006 0.000 2.747 384 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 384 N C 0.003 175.505 175.510 -0.013 0.000 1.107 384 N CA 0.870 53.914 53.050 -0.010 0.000 0.707 384 N CB -0.617 37.864 38.487 -0.011 0.000 1.054 384 N HN 0.567 nan 8.380 nan 0.000 0.555 385 K N -0.119 120.274 120.400 -0.011 0.000 2.387 385 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 385 K C 1.441 178.030 176.600 -0.018 0.000 1.030 385 K CA -0.357 55.920 56.287 -0.017 0.000 1.099 385 K CB 0.406 32.895 32.500 -0.018 0.000 0.863 385 K HN 0.125 nan 8.250 nan 0.000 0.529 386 L N 1.733 122.952 121.223 -0.008 0.000 2.017 386 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 386 L C 2.235 179.090 176.870 -0.026 0.000 1.073 386 L CA 1.925 56.764 54.840 -0.002 0.000 0.745 386 L CB -0.567 41.501 42.059 0.014 0.000 0.894 386 L HN 0.178 nan 8.230 nan 0.000 0.432 387 A N -0.379 122.429 122.820 -0.019 0.000 1.917 387 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 387 A C 2.353 179.943 177.584 0.011 0.000 1.182 387 A CA 1.943 53.975 52.037 -0.008 0.000 0.633 387 A CB -1.738 17.255 19.000 -0.012 0.000 0.819 387 A HN 0.575 nan 8.150 nan 0.000 0.448 388 G N -0.937 107.860 108.800 -0.005 0.000 2.422 388 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 388 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 388 G C 1.496 176.394 174.900 -0.002 0.000 1.146 388 G CA 1.193 46.307 45.100 0.023 0.000 0.769 388 G HN 0.349 nan 8.290 nan 0.000 0.547 389 V N 0.916 120.781 119.914 -0.082 0.000 2.358 389 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 389 V C 2.882 178.847 176.094 -0.216 0.000 1.047 389 V CA 1.211 63.396 62.300 -0.190 0.000 1.035 389 V CB -0.317 31.352 31.823 -0.258 0.000 0.658 389 V HN 0.341 nan 8.190 nan 0.000 0.452 390 L N -1.171 119.968 121.223 -0.140 0.000 2.093 390 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 390 L C 2.504 179.390 176.870 0.026 0.000 1.085 390 L CA 1.904 56.684 54.840 -0.100 0.000 0.755 390 L CB -0.742 41.227 42.059 -0.149 0.000 0.904 390 L HN 0.440 nan 8.230 nan 0.000 0.435 391 Y N 1.332 121.587 120.300 -0.075 0.000 2.114 391 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 391 Y C 2.615 178.438 175.900 -0.129 0.000 1.143 391 Y CA 1.506 59.566 58.100 -0.067 0.000 1.135 391 Y CB -0.213 38.202 38.460 -0.075 0.000 0.980 391 Y HN 0.107 nan 8.280 nan 0.000 0.499 392 E N 0.030 119.992 120.200 -0.397 0.000 2.097 392 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 392 E C 2.341 178.633 176.600 -0.513 0.000 1.000 392 E CA 1.646 57.662 56.400 -0.640 0.000 0.804 392 E CB -0.458 28.762 29.700 -0.800 0.000 0.740 392 E HN 0.496 nan 8.360 nan 0.000 0.454 393 S N 0.681 116.190 115.700 -0.319 0.000 2.383 393 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 393 S C 1.899 176.430 174.600 -0.114 0.000 1.026 393 S CA 0.759 58.860 58.200 -0.165 0.000 0.981 393 S CB -0.116 63.013 63.200 -0.118 0.000 0.818 393 S HN 0.232 nan 8.310 nan 0.000 0.472 394 R N 1.395 121.835 120.500 -0.099 0.000 2.096 394 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 394 R C 1.796 178.015 176.300 -0.133 0.000 1.127 394 R CA 1.151 57.211 56.100 -0.068 0.000 0.968 394 R CB -0.342 29.945 30.300 -0.022 0.000 0.861 394 R HN 0.354 nan 8.270 nan 0.000 0.440 395 N N 0.254 118.803 118.700 -0.251 0.000 2.270 395 N HA -0.091 4.649 4.740 -0.000 0.000 0.181 395 N C 1.829 177.267 175.510 -0.120 0.000 1.016 395 N CA 0.803 53.721 53.050 -0.219 0.000 0.870 395 N CB -0.072 38.200 38.487 -0.358 0.000 0.979 395 N HN 0.007 nan 8.380 nan 0.000 0.431 396 V N 1.569 121.412 119.914 -0.119 0.000 2.407 396 V HA -0.167 3.952 4.120 -0.000 0.000 0.248 396 V C 2.348 178.414 176.094 -0.046 0.000 1.055 396 V CA 1.764 64.034 62.300 -0.050 0.000 1.049 396 V CB -0.774 31.037 31.823 -0.019 0.000 0.662 396 V HN 0.275 nan 8.190 nan 0.000 0.455 397 A N -0.580 122.211 122.820 -0.049 0.000 1.968 397 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 397 A C 2.202 179.877 177.584 0.152 0.000 1.169 397 A CA 1.442 53.483 52.037 0.008 0.000 0.638 397 A CB -0.335 18.659 19.000 -0.011 0.000 0.812 397 A HN 0.526 nan 8.150 nan 0.000 0.446 398 K N -0.169 120.272 120.400 0.068 0.000 2.432 398 K HA 0.036 4.356 4.320 -0.000 0.000 0.196 398 K C 0.297 177.077 176.600 0.299 0.000 1.038 398 K CA -0.062 56.285 56.287 0.100 0.000 0.986 398 K CB 0.022 32.511 32.500 -0.018 0.000 0.782 398 K HN 0.394 nan 8.250 nan 0.000 0.485 399 R N 1.608 122.213 120.500 0.174 0.000 2.583 399 R HA -0.018 4.321 4.340 -0.000 0.000 0.274 399 R C 0.167 176.568 176.300 0.169 0.000 0.998 399 R CA 0.454 56.634 56.100 0.134 0.000 1.081 399 R CB 0.293 30.626 30.300 0.055 0.000 0.940 399 R HN 0.087 nan 8.270 nan 0.000 0.413 400 R N 2.510 123.093 120.500 0.139 0.000 2.711 400 R HA 0.273 4.613 4.340 -0.000 0.000 0.284 400 R C -1.281 175.066 176.300 0.079 0.000 0.968 400 R CA -0.691 55.476 56.100 0.112 0.000 0.924 400 R CB 0.969 31.359 30.300 0.149 0.000 1.162 400 R HN 0.437 nan 8.270 nan 0.000 0.465 401 F N 2.478 122.339 119.950 -0.148 0.000 2.404 401 F HA 0.438 4.965 4.527 -0.001 0.000 0.339 401 F C -0.720 174.901 175.800 -0.298 0.000 1.105 401 F CA -0.308 57.524 58.000 -0.279 0.000 1.087 401 F CB 1.396 40.047 39.000 -0.582 0.000 1.143 401 F HN 0.561 nan 8.300 nan 0.000 0.491 402 E N 3.915 123.372 120.200 -1.237 0.000 2.366 402 E HA 0.318 4.667 4.350 -0.000 0.000 0.278 402 E C -1.839 174.172 176.600 -0.983 0.000 0.923 402 E CA -0.649 55.192 56.400 -0.933 0.000 0.761 402 E CB 0.896 30.399 29.700 -0.328 0.000 1.231 402 E HN 0.449 nan 8.360 nan 0.000 0.443 403 Y N 1.818 121.862 120.300 -0.425 0.000 2.497 403 Y HA 0.055 4.605 4.550 -0.000 0.000 0.334 403 Y C 1.990 177.821 175.900 -0.114 0.000 1.199 403 Y CA 0.751 58.739 58.100 -0.186 0.000 1.425 403 Y CB 0.906 39.411 38.460 0.076 0.000 1.291 403 Y HN 0.668 nan 8.280 nan 0.000 0.562 404 S N 1.746 117.505 115.700 0.098 0.000 2.402 404 S HA -0.274 4.196 4.470 -0.000 0.000 0.233 404 S C 2.159 176.724 174.600 -0.060 0.000 1.030 404 S CA 1.927 60.125 58.200 -0.004 0.000 1.003 404 S CB -0.239 62.982 63.200 0.035 0.000 0.813 404 S HN 0.772 nan 8.310 nan 0.000 0.477 405 K N -0.992 119.345 120.400 -0.104 0.000 2.209 405 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 405 K C 0.371 176.685 176.600 -0.477 0.000 1.048 405 K CA 1.348 57.425 56.287 -0.350 0.000 0.940 405 K CB -0.120 32.047 32.500 -0.555 0.000 0.729 405 K HN 0.555 nan 8.250 nan 0.000 0.451 406 Y N 0.908 121.234 120.300 0.044 0.000 2.660 406 Y HA 0.190 4.740 4.550 -0.000 0.000 0.254 406 Y C -0.183 175.694 175.900 -0.039 0.000 1.176 406 Y CA -0.823 57.293 58.100 0.026 0.000 1.195 406 Y CB 0.178 38.688 38.460 0.082 0.000 1.190 406 Y HN -0.005 nan 8.280 nan 0.000 0.535 407 R N 1.734 122.241 120.500 0.012 0.000 2.643 407 R HA 0.264 4.604 4.340 -0.000 0.000 0.270 407 R C -2.683 173.589 176.300 -0.048 0.000 1.061 407 R CA -1.492 54.572 56.100 -0.059 0.000 1.107 407 R CB -0.299 29.939 30.300 -0.103 0.000 0.999 407 R HN -0.060 nan 8.270 nan 0.000 0.460 408 P HA -0.048 nan 4.420 nan 0.000 0.269 408 P C 0.689 177.962 177.300 -0.045 0.000 1.215 408 P CA -0.172 62.897 63.100 -0.053 0.000 0.780 408 P CB 0.755 32.412 31.700 -0.071 0.000 0.898 409 L N 1.000 122.205 121.223 -0.029 0.000 1.971 409 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 409 L C 1.210 178.059 176.870 -0.035 0.000 1.072 409 L CA 1.779 56.599 54.840 -0.033 0.000 0.758 409 L CB -1.212 40.835 42.059 -0.021 0.000 0.889 409 L HN 0.410 nan 8.230 nan 0.000 0.433 410 T N 2.331 116.870 114.554 -0.024 0.000 2.727 410 T HA 0.201 4.551 4.350 -0.000 0.000 0.295 410 T C -2.113 172.573 174.700 -0.023 0.000 0.915 410 T CA -1.017 61.072 62.100 -0.020 0.000 1.066 410 T CB 0.739 69.602 68.868 -0.009 0.000 0.891 410 T HN 0.131 nan 8.240 nan 0.000 0.516 411 P HA 0.192 nan 4.420 nan 0.000 0.271 411 P C -0.502 176.793 177.300 -0.008 0.000 1.226 411 P CA -0.227 62.858 63.100 -0.024 0.000 0.765 411 P CB 0.711 32.397 31.700 -0.022 0.000 0.835 412 S N 0.919 116.616 115.700 -0.005 0.000 2.732 412 S HA 0.432 4.902 4.470 -0.000 0.000 0.293 412 S C 0.823 175.439 174.600 0.026 0.000 1.159 412 S CA -0.255 57.950 58.200 0.009 0.000 0.847 412 S CB 1.059 64.262 63.200 0.005 0.000 1.169 412 S HN 0.379 nan 8.310 nan 0.000 0.501 413 S N -0.896 114.822 115.700 0.030 0.000 2.575 413 S HA 0.205 4.675 4.470 -0.000 0.000 0.215 413 S C 0.544 175.172 174.600 0.046 0.000 0.966 413 S CA 0.021 58.249 58.200 0.047 0.000 0.911 413 S CB -0.432 62.785 63.200 0.028 0.000 0.780 413 S HN 0.674 nan 8.310 nan 0.000 0.514 414 E N 0.831 121.050 120.200 0.033 0.000 2.385 414 E HA 0.251 4.601 4.350 -0.000 0.000 0.194 414 E C -0.250 176.379 176.600 0.047 0.000 1.013 414 E CA 0.197 56.619 56.400 0.036 0.000 0.866 414 E CB 0.560 30.276 29.700 0.026 0.000 0.832 414 E HN 0.379 nan 8.360 nan 0.000 0.500 415 V N 0.688 120.623 119.914 0.035 0.000 2.709 415 V HA 0.307 4.427 4.120 -0.000 0.000 0.308 415 V C -1.468 174.656 176.094 0.050 0.000 1.062 415 V CA -1.138 61.172 62.300 0.017 0.000 0.901 415 V CB 1.610 33.397 31.823 -0.061 0.000 1.003 415 V HN 0.023 nan 8.190 nan 0.000 0.425 416 Y N 2.658 122.931 120.300 -0.045 0.000 2.335 416 Y HA 0.723 5.273 4.550 -0.000 0.000 0.338 416 Y C 0.089 175.951 175.900 -0.063 0.000 0.977 416 Y CA -0.159 57.930 58.100 -0.018 0.000 1.114 416 Y CB 1.975 40.444 38.460 0.015 0.000 1.182 416 Y HN 0.643 nan 8.280 nan 0.000 0.463 417 S N 7.314 122.486 115.700 -0.879 0.000 2.526 417 S HA 0.466 4.936 4.470 -0.000 0.000 0.293 417 S C -2.875 171.289 174.600 -0.726 0.000 1.092 417 S CA -1.499 56.338 58.200 -0.605 0.000 0.980 417 S CB 1.877 64.878 63.200 -0.332 0.000 1.048 417 S HN 0.511 nan 8.310 nan 0.000 0.483 418 P HA 0.089 nan 4.420 nan 0.000 0.261 418 P C -0.979 176.308 177.300 -0.022 0.000 1.173 418 P CA 0.532 63.657 63.100 0.041 0.000 0.760 418 P CB 0.122 31.990 31.700 0.280 0.000 0.783 419 I N 2.513 123.123 120.570 0.067 0.000 2.412 419 I HA 0.196 4.366 4.170 -0.000 0.000 0.296 419 I C 0.828 177.022 176.117 0.128 0.000 0.987 419 I CA -0.781 60.570 61.300 0.086 0.000 1.180 419 I CB 1.409 39.490 38.000 0.134 0.000 1.340 419 I HN 0.209 nan 8.210 nan 0.000 0.455 420 E N 5.514 125.794 120.200 0.132 0.000 2.265 420 E HA 0.055 4.404 4.350 -0.000 0.000 0.272 420 E C -0.069 176.630 176.600 0.165 0.000 1.067 420 E CA -0.079 56.414 56.400 0.155 0.000 0.900 420 E CB 0.688 30.510 29.700 0.203 0.000 1.017 420 E HN 0.407 nan 8.360 nan 0.000 0.431 421 K N 2.671 123.160 120.400 0.148 0.000 2.591 421 K HA 0.025 4.345 4.320 -0.000 0.000 0.197 421 K C 0.033 176.728 176.600 0.158 0.000 1.026 421 K CA 0.522 56.899 56.287 0.150 0.000 1.127 421 K CB 0.197 32.777 32.500 0.132 0.000 0.871 421 K HN 0.439 nan 8.250 nan 0.000 0.507 422 E N -0.666 119.646 120.200 0.187 0.000 2.442 422 E HA 0.235 4.584 4.350 -0.000 0.000 0.271 422 E C -0.905 175.886 176.600 0.318 0.000 1.002 422 E CA -0.957 55.569 56.400 0.210 0.000 0.864 422 E CB 1.308 31.092 29.700 0.139 0.000 1.573 422 E HN -0.100 nan 8.360 nan 0.000 0.456 423 S N 2.211 118.144 115.700 0.387 0.000 3.082 423 S HA -0.099 4.371 4.470 -0.000 0.000 0.371 423 S C -2.391 172.483 174.600 0.456 0.000 1.191 423 S CA -0.302 58.221 58.200 0.538 0.000 0.962 423 S CB -0.578 62.953 63.200 0.551 0.000 0.652 423 S HN 0.229 nan 8.310 nan 0.000 0.476 424 P HA -0.015 nan 4.420 nan 0.000 0.261 424 P C -0.125 177.268 177.300 0.154 0.000 1.183 424 P CA -0.248 62.978 63.100 0.211 0.000 0.761 424 P CB 0.150 31.896 31.700 0.077 0.000 0.785 425 W N 7.126 128.454 121.300 0.047 0.000 2.598 425 W HA -0.171 4.489 4.660 -0.000 0.000 0.334 425 W C 0.419 176.741 176.519 -0.328 0.000 1.006 425 W CA 0.420 57.715 57.345 -0.084 0.000 1.121 425 W CB -0.553 28.894 29.460 -0.021 0.000 1.094 425 W HN 0.574 nan 8.180 nan 0.000 0.558 426 K N 2.659 122.349 120.400 -1.182 0.000 1.443 426 K HA -0.287 4.033 4.320 -0.000 0.000 0.676 426 K C 0.074 176.170 176.600 -0.839 0.000 1.943 426 K CA 0.345 55.902 56.287 -1.216 0.000 1.018 426 K CB -1.216 30.578 32.500 -1.176 0.000 1.829 426 K HN 0.505 nan 8.250 nan 0.000 0.539 427 I N 3.203 123.459 120.570 -0.522 0.000 3.247 427 I HA -0.162 4.008 4.170 -0.000 0.000 0.309 427 I C 0.683 176.692 176.117 -0.179 0.000 1.246 427 I CA 0.752 61.903 61.300 -0.249 0.000 1.384 427 I CB -1.777 36.101 38.000 -0.203 0.000 1.401 427 I HN 0.333 nan 8.210 nan 0.000 0.520 428 L N 6.384 127.613 121.223 0.011 0.000 2.472 428 L HA 0.221 4.560 4.340 -0.000 0.000 0.260 428 L C 0.985 177.876 176.870 0.034 0.000 1.209 428 L CA 0.014 54.920 54.840 0.110 0.000 0.817 428 L CB 0.003 42.288 42.059 0.378 0.000 1.106 428 L HN 0.367 nan 8.230 nan 0.000 0.479 429 M N -0.390 119.173 119.600 -0.061 0.000 2.514 429 M HA 0.137 4.617 4.480 -0.000 0.000 0.258 429 M C 1.088 177.285 176.300 -0.172 0.000 1.119 429 M CA 0.919 56.127 55.300 -0.152 0.000 1.111 429 M CB -0.599 31.858 32.600 -0.238 0.000 1.390 429 M HN 0.589 nan 8.290 nan 0.000 0.475 430 Y N 0.907 121.202 120.300 -0.008 0.000 2.621 430 Y HA 0.030 4.579 4.550 -0.001 0.000 0.330 430 Y C 0.238 175.980 175.900 -0.262 0.000 1.219 430 Y CA -0.104 57.904 58.100 -0.152 0.000 1.286 430 Y CB -1.779 36.608 38.460 -0.122 0.000 1.053 430 Y HN 0.267 nan 8.280 nan 0.000 0.498 431 Q N 0.153 119.969 119.800 0.026 0.000 3.970 431 Q HA -0.242 4.098 4.340 -0.000 0.000 0.367 431 Q C -0.479 175.531 176.000 0.018 0.000 1.189 431 Q CA 0.563 56.399 55.803 0.055 0.000 1.212 431 Q CB -0.822 27.920 28.738 0.007 0.000 1.037 431 Q HN 0.597 nan 8.270 nan 0.000 0.474 432 Y N 1.636 121.983 120.300 0.079 0.000 2.550 432 Y HA -0.045 4.505 4.550 -0.000 0.000 0.351 432 Y C 0.990 176.902 175.900 0.021 0.000 1.160 432 Y CA -0.019 58.115 58.100 0.057 0.000 1.337 432 Y CB -0.172 38.323 38.460 0.058 0.000 1.196 432 Y HN 0.689 nan 8.280 nan 0.000 0.498 433 N N 1.177 119.944 118.700 0.111 0.000 2.814 433 N HA -0.208 4.532 4.740 -0.000 0.000 0.247 433 N C -0.617 174.928 175.510 0.058 0.000 1.089 433 N CA 0.309 53.393 53.050 0.058 0.000 0.682 433 N CB -1.253 37.257 38.487 0.037 0.000 0.970 433 N HN 0.621 nan 8.380 nan 0.000 0.554 434 I N -0.174 120.445 120.570 0.081 0.000 2.691 434 I HA 0.188 4.357 4.170 -0.000 0.000 0.288 434 I C -1.482 174.648 176.117 0.022 0.000 1.143 434 I CA -1.157 60.181 61.300 0.063 0.000 1.364 434 I CB -0.464 37.587 38.000 0.084 0.000 1.435 434 I HN -0.020 nan 8.210 nan 0.000 0.551 435 P HA 0.014 nan 4.420 nan 0.000 0.271 435 P C -1.868 175.427 177.300 -0.009 0.000 1.212 435 P CA -0.548 62.549 63.100 -0.005 0.000 0.788 435 P CB -0.026 31.666 31.700 -0.012 0.000 0.865 436 P HA -0.158 nan 4.420 nan 0.000 0.210 436 P C 1.318 178.607 177.300 -0.018 0.000 1.191 436 P CA 1.235 64.325 63.100 -0.017 0.000 0.917 436 P CB -0.352 31.339 31.700 -0.015 0.000 0.778 437 E N 0.844 121.036 120.200 -0.014 0.000 2.396 437 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 437 E C 0.824 177.417 176.600 -0.012 0.000 1.023 437 E CA 1.062 57.455 56.400 -0.012 0.000 0.857 437 E CB -0.666 29.028 29.700 -0.010 0.000 0.775 437 E HN 0.326 nan 8.360 nan 0.000 0.525 438 R N 1.130 121.624 120.500 -0.011 0.000 2.721 438 R HA 0.090 4.429 4.340 -0.000 0.000 0.296 438 R C 1.339 177.635 176.300 -0.008 0.000 1.174 438 R CA 0.390 56.487 56.100 -0.006 0.000 1.129 438 R CB 0.050 30.349 30.300 -0.002 0.000 1.316 438 R HN 0.434 nan 8.270 nan 0.000 0.571 439 E N -0.458 119.728 120.200 -0.023 0.000 2.276 439 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 439 E C 1.343 177.919 176.600 -0.039 0.000 0.983 439 E CA 0.292 56.664 56.400 -0.047 0.000 0.861 439 E CB 0.096 29.748 29.700 -0.080 0.000 0.817 439 E HN -0.009 nan 8.360 nan 0.000 0.485 440 V N 1.403 121.307 119.914 -0.017 0.000 2.358 440 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 440 V C 2.313 178.420 176.094 0.021 0.000 1.047 440 V CA 1.404 63.705 62.300 0.000 0.000 1.035 440 V CB -0.422 31.404 31.823 0.005 0.000 0.658 440 V HN 0.255 nan 8.190 nan 0.000 0.452 441 L N 0.271 121.506 121.223 0.020 0.000 1.994 441 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 441 L C 2.416 179.329 176.870 0.072 0.000 1.071 441 L CA 1.936 56.796 54.840 0.034 0.000 0.745 441 L CB -0.747 41.324 42.059 0.019 0.000 0.892 441 L HN 0.130 nan 8.230 nan 0.000 0.431 442 V N 0.560 120.517 119.914 0.073 0.000 2.282 442 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 442 V C 2.892 179.120 176.094 0.224 0.000 1.057 442 V CA 2.243 64.632 62.300 0.150 0.000 1.032 442 V CB -0.965 30.904 31.823 0.077 0.000 0.645 442 V HN 0.551 nan 8.190 nan 0.000 0.447 443 R N 0.214 120.754 120.500 0.066 0.000 2.081 443 R HA -0.171 4.168 4.340 -0.000 0.000 0.235 443 R C 2.230 178.647 176.300 0.196 0.000 1.131 443 R CA 2.025 58.164 56.100 0.065 0.000 0.960 443 R CB -0.400 29.894 30.300 -0.009 0.000 0.856 443 R HN 0.684 nan 8.270 nan 0.000 0.436 444 E N 0.489 120.782 120.200 0.155 0.000 2.085 444 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 444 E C 2.205 178.953 176.600 0.246 0.000 0.994 444 E CA 1.249 57.752 56.400 0.171 0.000 0.801 444 E CB -0.167 29.595 29.700 0.104 0.000 0.743 444 E HN 0.318 nan 8.360 nan 0.000 0.453 445 L N -0.074 121.291 121.223 0.238 0.000 2.046 445 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 445 L C 2.360 179.425 176.870 0.324 0.000 1.077 445 L CA 1.346 56.343 54.840 0.261 0.000 0.747 445 L CB -0.509 41.653 42.059 0.171 0.000 0.896 445 L HN 0.180 nan 8.230 nan 0.000 0.432 446 Y N 0.263 120.665 120.300 0.169 0.000 2.114 446 Y HA -0.315 4.235 4.550 -0.001 0.000 0.284 446 Y C 2.902 178.900 175.900 0.162 0.000 1.143 446 Y CA 1.563 59.760 58.100 0.162 0.000 1.135 446 Y CB -0.234 38.316 38.460 0.151 0.000 0.980 446 Y HN 0.197 nan 8.280 nan 0.000 0.499 447 Q N -1.532 118.473 119.800 0.341 0.000 2.124 447 Q HA -0.270 4.069 4.340 -0.000 0.000 0.202 447 Q C 2.011 178.118 176.000 0.178 0.000 0.977 447 Q CA 1.759 57.698 55.803 0.227 0.000 0.850 447 Q CB -0.586 28.271 28.738 0.198 0.000 0.901 447 Q HN 0.649 nan 8.270 nan 0.000 0.429 448 W N 1.990 123.336 121.300 0.077 0.000 2.355 448 W HA -0.187 4.473 4.660 0.001 0.000 0.309 448 W C 2.339 178.871 176.519 0.021 0.000 1.206 448 W CA 1.635 59.004 57.345 0.041 0.000 1.284 448 W CB -0.151 29.330 29.460 0.035 0.000 1.145 448 W HN -0.042 nan 8.180 nan 0.000 0.502 449 R N 0.315 120.814 120.500 -0.002 0.000 2.091 449 R HA -0.233 4.106 4.340 -0.000 0.000 0.238 449 R C 1.965 178.107 176.300 -0.264 0.000 1.136 449 R CA 2.379 58.334 56.100 -0.242 0.000 0.959 449 R CB -0.940 29.340 30.300 -0.033 0.000 0.856 449 R HN 0.227 nan 8.270 nan 0.000 0.437 450 D N -0.166 120.179 120.400 -0.091 0.000 2.117 450 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 450 D C 1.993 178.177 176.300 -0.193 0.000 0.987 450 D CA 1.205 55.182 54.000 -0.039 0.000 0.829 450 D CB 0.029 40.872 40.800 0.072 0.000 0.961 450 D HN 0.279 nan 8.370 nan 0.000 0.460 451 L N 0.141 121.223 121.223 -0.235 0.000 2.056 451 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 451 L C 2.362 179.021 176.870 -0.352 0.000 1.078 451 L CA 0.435 55.112 54.840 -0.271 0.000 0.749 451 L CB -0.349 41.592 42.059 -0.197 0.000 0.901 451 L HN 0.204 nan 8.230 nan 0.000 0.433 452 I N 0.229 120.490 120.570 -0.514 0.000 2.226 452 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 452 I C 2.871 178.779 176.117 -0.348 0.000 1.100 452 I CA 1.543 62.549 61.300 -0.491 0.000 1.374 452 I CB -1.401 36.098 38.000 -0.835 0.000 1.057 452 I HN 0.194 nan 8.210 nan 0.000 0.413 453 A N 1.109 123.729 122.820 -0.334 0.000 1.883 453 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 453 A C 2.487 179.942 177.584 -0.215 0.000 1.186 453 A CA 1.755 53.691 52.037 -0.168 0.000 0.624 453 A CB -0.669 18.361 19.000 0.049 0.000 0.822 453 A HN 0.340 nan 8.150 nan 0.000 0.444 454 R N -1.163 119.030 120.500 -0.512 0.000 2.081 454 R HA -0.110 4.229 4.340 -0.000 0.000 0.235 454 R C 2.556 178.646 176.300 -0.350 0.000 1.131 454 R CA 1.524 57.185 56.100 -0.732 0.000 0.960 454 R CB -0.309 29.513 30.300 -0.796 0.000 0.856 454 R HN 0.632 nan 8.270 nan 0.000 0.436 455 R N 0.958 121.308 120.500 -0.249 0.000 2.070 455 R HA -0.136 4.203 4.340 -0.000 0.000 0.233 455 R C 0.710 176.965 176.300 -0.076 0.000 1.137 455 R CA 2.060 58.076 56.100 -0.140 0.000 0.945 455 R CB -0.026 30.205 30.300 -0.115 0.000 0.845 455 R HN 0.109 nan 8.270 nan 0.000 0.430 456 D N 0.392 120.763 120.400 -0.047 0.000 2.328 456 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 456 D C -0.378 175.924 176.300 0.003 0.000 1.066 456 D CA 0.441 54.454 54.000 0.023 0.000 0.861 456 D CB -0.223 40.671 40.800 0.157 0.000 0.912 456 D HN 0.293 nan 8.370 nan 0.000 0.521 457 D N 1.338 121.717 120.400 -0.034 0.000 2.927 457 D HA -0.173 4.466 4.640 -0.000 0.000 0.236 457 D C -0.559 175.750 176.300 0.016 0.000 1.163 457 D CA 0.749 54.751 54.000 0.004 0.000 0.801 457 D CB -0.329 40.484 40.800 0.022 0.000 0.975 457 D HN 0.106 nan 8.370 nan 0.000 0.413 458 E N -0.462 119.755 120.200 0.029 0.000 2.423 458 E HA 0.572 4.921 4.350 -0.000 0.000 0.269 458 E C 0.060 176.682 176.600 0.036 0.000 0.948 458 E CA -0.665 55.725 56.400 -0.016 0.000 0.802 458 E CB 1.299 31.017 29.700 0.031 0.000 1.339 458 E HN 0.246 nan 8.360 nan 0.000 0.445 459 S N -0.421 115.260 115.700 -0.031 0.000 2.616 459 S HA 0.342 4.812 4.470 -0.000 0.000 0.277 459 S C -2.064 172.545 174.600 0.014 0.000 1.234 459 S CA -1.128 57.059 58.200 -0.022 0.000 1.028 459 S CB 1.730 64.919 63.200 -0.018 0.000 0.988 459 S HN 0.095 nan 8.310 nan 0.000 0.522 460 P HA -0.175 nan 4.420 nan 0.000 0.216 460 P C 1.603 178.898 177.300 -0.009 0.000 1.153 460 P CA 1.385 64.481 63.100 -0.005 0.000 0.858 460 P CB -0.036 31.676 31.700 0.020 0.000 0.789 461 R N -1.536 118.999 120.500 0.060 0.000 2.115 461 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 461 R C 2.162 178.538 176.300 0.128 0.000 1.111 461 R CA 1.207 57.372 56.100 0.108 0.000 0.976 461 R CB -1.721 28.694 30.300 0.192 0.000 0.870 461 R HN 0.136 nan 8.270 nan 0.000 0.445 462 F N 2.110 122.011 119.950 -0.082 0.000 2.146 462 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 462 F C 1.987 177.703 175.800 -0.140 0.000 1.096 462 F CA 1.150 58.996 58.000 -0.256 0.000 1.275 462 F CB -0.226 38.386 39.000 -0.646 0.000 1.008 462 F HN -0.196 nan 8.300 nan 0.000 0.480 463 V N 0.340 120.068 119.914 -0.310 0.000 2.295 463 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 463 V C 0.955 176.922 176.094 -0.213 0.000 1.049 463 V CA 1.965 63.989 62.300 -0.461 0.000 1.024 463 V CB -0.483 31.048 31.823 -0.487 0.000 0.648 463 V HN 0.502 nan 8.190 nan 0.000 0.447 464 M N 0.556 120.083 119.600 -0.121 0.000 2.396 464 M HA 0.343 4.823 4.480 -0.000 0.000 0.222 464 M C -3.226 173.049 176.300 -0.042 0.000 0.972 464 M CA -1.238 54.035 55.300 -0.045 0.000 0.887 464 M CB 2.299 34.924 32.600 0.041 0.000 2.378 464 M HN -0.110 nan 8.290 nan 0.000 0.446 465 P HA 0.205 nan 4.420 nan 0.000 0.279 465 P C -0.251 177.017 177.300 -0.053 0.000 1.239 465 P CA 0.037 63.127 63.100 -0.015 0.000 0.789 465 P CB 0.687 32.396 31.700 0.016 0.000 0.933 466 N N 1.998 120.663 118.700 -0.059 0.000 2.133 466 N HA -0.251 4.488 4.740 -0.000 0.000 0.193 466 N C 1.637 177.073 175.510 -0.124 0.000 1.012 466 N CA 1.468 54.472 53.050 -0.076 0.000 0.871 466 N CB -0.395 38.096 38.487 0.006 0.000 1.011 466 N HN 0.623 nan 8.380 nan 0.000 0.435 467 Q N 0.364 120.103 119.800 -0.100 0.000 2.096 467 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 467 Q C 2.128 178.015 176.000 -0.188 0.000 0.982 467 Q CA 1.019 56.717 55.803 -0.175 0.000 0.850 467 Q CB -0.031 28.681 28.738 -0.043 0.000 0.901 467 Q HN 0.253 nan 8.270 nan 0.000 0.422 468 L N 0.559 121.718 121.223 -0.106 0.000 2.044 468 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 468 L C 2.155 178.973 176.870 -0.086 0.000 1.075 468 L CA 1.420 56.211 54.840 -0.080 0.000 0.747 468 L CB -0.718 41.311 42.059 -0.050 0.000 0.903 468 L HN 0.365 nan 8.230 nan 0.000 0.435 469 L N -0.597 120.570 121.223 -0.093 0.000 2.012 469 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 469 L C 2.480 179.297 176.870 -0.088 0.000 1.073 469 L CA 1.728 56.523 54.840 -0.076 0.000 0.748 469 L CB -0.485 41.504 42.059 -0.117 0.000 0.891 469 L HN 0.375 nan 8.230 nan 0.000 0.431 470 A N -0.219 122.485 122.820 -0.192 0.000 1.877 470 A HA -0.195 4.124 4.320 -0.000 0.000 0.216 470 A C 2.461 179.932 177.584 -0.189 0.000 1.186 470 A CA 1.773 53.630 52.037 -0.299 0.000 0.620 470 A CB -1.038 17.388 19.000 -0.957 0.000 0.822 470 A HN 0.603 nan 8.150 nan 0.000 0.443 471 A N -0.247 122.484 122.820 -0.148 0.000 1.917 471 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 471 A C 2.189 179.846 177.584 0.122 0.000 1.182 471 A CA 1.681 53.744 52.037 0.043 0.000 0.633 471 A CB -0.675 18.331 19.000 0.009 0.000 0.819 471 A HN 0.490 nan 8.150 nan 0.000 0.448 472 L N -0.643 120.597 121.223 0.028 0.000 2.017 472 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 472 L C 2.520 179.414 176.870 0.040 0.000 1.073 472 L CA 1.253 56.112 54.840 0.032 0.000 0.745 472 L CB -0.587 41.463 42.059 -0.014 0.000 0.894 472 L HN 0.252 nan 8.230 nan 0.000 0.432 473 V N -0.069 119.854 119.914 0.015 0.000 2.407 473 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 473 V C 2.681 178.769 176.094 -0.009 0.000 1.055 473 V CA 1.763 64.069 62.300 0.010 0.000 1.049 473 V CB -0.960 30.873 31.823 0.018 0.000 0.662 473 V HN 0.483 nan 8.190 nan 0.000 0.455 474 A N -1.221 121.584 122.820 -0.025 0.000 1.897 474 A HA -0.139 4.180 4.320 -0.000 0.000 0.215 474 A C 1.983 179.416 177.584 -0.252 0.000 1.181 474 A CA 1.571 53.520 52.037 -0.146 0.000 0.620 474 A CB -0.521 18.355 19.000 -0.206 0.000 0.821 474 A HN 0.588 nan 8.150 nan 0.000 0.443 475 Y N 0.372 120.659 120.300 -0.023 0.000 2.497 475 Y HA 0.100 4.649 4.550 -0.001 0.000 0.265 475 Y C 1.441 177.327 175.900 -0.023 0.000 1.111 475 Y CA 0.829 58.917 58.100 -0.020 0.000 1.288 475 Y CB -0.088 38.358 38.460 -0.024 0.000 1.082 475 Y HN 0.452 nan 8.280 nan 0.000 0.536 476 T N -0.453 114.160 114.554 0.098 0.000 3.549 476 T HA -0.163 4.187 4.350 -0.000 0.000 0.398 476 T C -2.454 172.269 174.700 0.038 0.000 0.766 476 T CA -0.351 61.775 62.100 0.043 0.000 2.007 476 T CB -1.904 66.973 68.868 0.014 0.000 1.727 476 T HN 0.177 nan 8.240 nan 0.000 0.693 477 P HA 0.223 nan 4.420 nan 0.000 0.268 477 P C 0.936 178.229 177.300 -0.012 0.000 1.205 477 P CA 0.200 63.307 63.100 0.011 0.000 0.771 477 P CB 0.968 32.663 31.700 -0.008 0.000 0.858 478 T N -2.164 112.382 114.554 -0.013 0.000 3.132 478 T HA 0.274 4.624 4.350 -0.000 0.000 0.274 478 T C -0.164 174.520 174.700 -0.027 0.000 1.011 478 T CA -0.386 61.701 62.100 -0.022 0.000 0.899 478 T CB -0.353 68.506 68.868 -0.015 0.000 1.089 478 T HN 0.472 nan 8.240 nan 0.000 0.543 479 D N -0.812 119.571 120.400 -0.029 0.000 2.596 479 D HA 0.438 5.077 4.640 -0.000 0.000 0.262 479 D C 0.932 177.211 176.300 -0.036 0.000 1.210 479 D CA -0.996 52.986 54.000 -0.030 0.000 0.873 479 D CB 1.071 41.858 40.800 -0.023 0.000 1.408 479 D HN -0.174 nan 8.370 nan 0.000 0.441 480 V N 0.296 120.189 119.914 -0.035 0.000 2.287 480 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 480 V C 2.300 178.372 176.094 -0.036 0.000 1.053 480 V CA 1.586 63.863 62.300 -0.037 0.000 1.027 480 V CB -0.773 31.031 31.823 -0.032 0.000 0.646 480 V HN 0.579 nan 8.190 nan 0.000 0.447 481 I N 0.612 121.163 120.570 -0.031 0.000 2.163 481 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 481 I C 2.569 178.663 176.117 -0.039 0.000 1.085 481 I CA 1.873 63.154 61.300 -0.032 0.000 1.347 481 I CB -0.881 37.103 38.000 -0.026 0.000 1.044 481 I HN 0.430 nan 8.210 nan 0.000 0.408 482 G N 0.036 108.814 108.800 -0.036 0.000 2.422 482 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 482 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 482 G C 1.672 176.541 174.900 -0.053 0.000 1.146 482 G CA 0.821 45.897 45.100 -0.041 0.000 0.769 482 G HN 0.267 nan 8.290 nan 0.000 0.547 483 V N 0.918 120.802 119.914 -0.051 0.000 2.453 483 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 483 V C 3.051 179.109 176.094 -0.060 0.000 1.048 483 V CA 1.704 63.969 62.300 -0.058 0.000 1.049 483 V CB 0.113 31.898 31.823 -0.064 0.000 0.672 483 V HN 0.406 nan 8.190 nan 0.000 0.457 484 V N -1.095 118.787 119.914 -0.053 0.000 3.052 484 V HA 0.042 4.161 4.120 -0.000 0.000 0.254 484 V C 1.958 178.018 176.094 -0.056 0.000 1.100 484 V CA 1.439 63.709 62.300 -0.049 0.000 1.112 484 V CB -0.237 31.563 31.823 -0.039 0.000 0.738 484 V HN 0.581 nan 8.190 nan 0.000 0.469 485 S N -0.217 115.445 115.700 -0.064 0.000 2.660 485 S HA 0.341 4.810 4.470 -0.000 0.000 0.227 485 S C 0.517 175.052 174.600 -0.108 0.000 0.948 485 S CA -0.373 57.784 58.200 -0.072 0.000 0.948 485 S CB -0.936 62.227 63.200 -0.062 0.000 0.779 485 S HN 0.530 nan 8.310 nan 0.000 0.487 486 L N 3.436 124.584 121.223 -0.124 0.000 2.660 486 L HA 0.001 4.340 4.340 -0.000 0.000 0.272 486 L C 2.149 178.903 176.870 -0.194 0.000 1.194 486 L CA 0.284 55.008 54.840 -0.194 0.000 0.945 486 L CB 0.268 42.230 42.059 -0.161 0.000 1.212 486 L HN 0.570 nan 8.230 nan 0.000 0.490 487 T N -0.273 114.122 114.554 -0.264 0.000 2.774 487 T HA -0.304 4.046 4.350 -0.000 0.000 0.264 487 T C 1.280 175.906 174.700 -0.123 0.000 1.037 487 T CA 2.227 64.213 62.100 -0.189 0.000 1.152 487 T CB -0.394 68.340 68.868 -0.223 0.000 0.842 487 T HN 0.690 nan 8.240 nan 0.000 0.483 488 N N 1.654 120.277 118.700 -0.128 0.000 2.331 488 N HA 0.386 5.126 4.740 -0.000 0.000 0.180 488 N C 1.100 176.577 175.510 -0.054 0.000 1.019 488 N CA 1.006 54.013 53.050 -0.070 0.000 0.881 488 N CB -0.260 38.190 38.487 -0.061 0.000 0.972 488 N HN 0.952 nan 8.380 nan 0.000 0.435 489 G N -1.381 107.381 108.800 -0.065 0.000 2.541 489 G HA2 0.040 3.999 3.960 -0.000 0.000 0.686 489 G HA3 0.040 3.999 3.960 -0.000 0.000 0.686 489 G C -1.353 173.520 174.900 -0.046 0.000 1.286 489 G CA -0.633 44.439 45.100 -0.047 0.000 0.894 489 G HN 0.094 nan 8.290 nan 0.000 0.575 490 V N -0.036 119.855 119.914 -0.038 0.000 3.114 490 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 490 V C 0.826 176.898 176.094 -0.038 0.000 1.168 490 V CA 0.040 62.318 62.300 -0.038 0.000 1.015 490 V CB 2.201 34.001 31.823 -0.039 0.000 1.050 490 V HN 1.814 nan 8.190 nan 0.000 0.433 491 T N -1.699 112.827 114.554 -0.047 0.000 2.881 491 T HA 0.365 4.714 4.350 -0.000 0.000 0.278 491 T C 0.907 175.565 174.700 -0.070 0.000 0.982 491 T CA 0.133 62.182 62.100 -0.085 0.000 0.989 491 T CB 1.569 70.349 68.868 -0.147 0.000 1.058 491 T HN 0.822 nan 8.240 nan 0.000 0.529 492 E N -0.289 119.844 120.200 -0.111 0.000 2.077 492 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 492 E C 1.715 178.259 176.600 -0.092 0.000 0.989 492 E CA 1.294 57.639 56.400 -0.090 0.000 0.800 492 E CB -0.232 29.416 29.700 -0.087 0.000 0.746 492 E HN 0.828 nan 8.360 nan 0.000 0.452 493 H N -0.654 118.351 119.070 -0.109 0.000 2.353 493 H HA -0.094 4.461 4.556 -0.001 0.000 0.300 493 H C 2.062 177.451 175.328 0.101 0.000 1.090 493 H CA 1.644 57.694 56.048 0.004 0.000 1.327 493 H CB -0.013 29.732 29.762 -0.030 0.000 1.383 493 H HN 0.032 nan 8.280 nan 0.000 0.508 494 V N 0.354 120.368 119.914 0.167 0.000 2.515 494 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 494 V C 2.456 178.567 176.094 0.028 0.000 1.058 494 V CA 1.839 64.201 62.300 0.103 0.000 1.064 494 V CB -0.376 31.473 31.823 0.043 0.000 0.675 494 V HN 0.348 nan 8.190 nan 0.000 0.461 495 R N -0.017 120.487 120.500 0.008 0.000 2.075 495 R HA -0.148 4.191 4.340 -0.000 0.000 0.232 495 R C 2.237 178.530 176.300 -0.011 0.000 1.126 495 R CA 1.513 57.604 56.100 -0.014 0.000 0.963 495 R CB -0.133 30.152 30.300 -0.025 0.000 0.858 495 R HN 0.568 nan 8.270 nan 0.000 0.435 496 Q N -0.541 119.255 119.800 -0.007 0.000 2.435 496 Q HA 0.006 4.345 4.340 -0.000 0.000 0.207 496 Q C 0.350 176.370 176.000 0.032 0.000 0.956 496 Q CA 0.579 56.379 55.803 -0.005 0.000 0.917 496 Q CB 0.358 29.068 28.738 -0.046 0.000 0.997 496 Q HN 0.387 nan 8.270 nan 0.000 0.497 497 N N -0.743 117.990 118.700 0.056 0.000 2.241 497 N HA 0.195 4.934 4.740 -0.000 0.000 0.238 497 N C 0.610 176.084 175.510 -0.061 0.000 1.244 497 N CA 0.233 53.312 53.050 0.048 0.000 0.880 497 N CB 0.959 39.563 38.487 0.195 0.000 1.179 497 N HN 0.085 nan 8.380 nan 0.000 0.513 498 A N 1.438 124.229 122.820 -0.048 0.000 1.927 498 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 498 A C 2.272 179.804 177.584 -0.087 0.000 1.185 498 A CA 1.739 53.733 52.037 -0.073 0.000 0.639 498 A CB -0.200 18.771 19.000 -0.049 0.000 0.820 498 A HN 0.119 nan 8.150 nan 0.000 0.451 499 K N -0.178 120.182 120.400 -0.066 0.000 2.057 499 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 499 K C 1.875 178.422 176.600 -0.090 0.000 1.050 499 K CA 1.496 57.746 56.287 -0.063 0.000 0.935 499 K CB -0.583 31.894 32.500 -0.039 0.000 0.715 499 K HN 0.448 nan 8.250 nan 0.000 0.439 500 L N 0.257 121.416 121.223 -0.107 0.000 2.042 500 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 500 L C 1.983 178.702 176.870 -0.251 0.000 1.076 500 L CA 1.385 56.134 54.840 -0.152 0.000 0.749 500 L CB -0.183 41.793 42.059 -0.139 0.000 0.893 500 L HN 0.224 nan 8.230 nan 0.000 0.432 501 L N -0.354 120.678 121.223 -0.318 0.000 2.093 501 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 501 L C 2.810 179.562 176.870 -0.197 0.000 1.085 501 L CA 1.030 55.661 54.840 -0.348 0.000 0.755 501 L CB -0.784 41.059 42.059 -0.359 0.000 0.904 501 L HN 0.343 nan 8.230 nan 0.000 0.435 502 A N -0.116 122.620 122.820 -0.140 0.000 1.969 502 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 502 A C 2.050 179.586 177.584 -0.080 0.000 1.169 502 A CA 1.557 53.540 52.037 -0.091 0.000 0.635 502 A CB -0.417 18.542 19.000 -0.069 0.000 0.810 502 A HN 0.400 nan 8.150 nan 0.000 0.445 503 N N -0.141 118.505 118.700 -0.090 0.000 2.173 503 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 503 N C 1.747 177.213 175.510 -0.074 0.000 1.025 503 N CA 1.237 54.245 53.050 -0.070 0.000 0.852 503 N CB -0.500 37.949 38.487 -0.064 0.000 0.998 503 N HN 0.537 nan 8.380 nan 0.000 0.427 504 L N 0.866 122.023 121.223 -0.111 0.000 2.042 504 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 504 L C 1.970 178.797 176.870 -0.072 0.000 1.076 504 L CA 1.195 55.973 54.840 -0.104 0.000 0.749 504 L CB -0.189 41.763 42.059 -0.179 0.000 0.893 504 L HN 0.096 nan 8.230 nan 0.000 0.432 505 I N -0.637 119.886 120.570 -0.079 0.000 2.202 505 I HA -0.291 3.878 4.170 -0.000 0.000 0.242 505 I C 2.773 178.870 176.117 -0.034 0.000 1.091 505 I CA 1.186 62.456 61.300 -0.050 0.000 1.368 505 I CB -0.352 37.617 38.000 -0.051 0.000 1.058 505 I HN 0.291 nan 8.210 nan 0.000 0.410 506 R N 0.946 121.424 120.500 -0.036 0.000 2.091 506 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 506 R C 1.850 178.138 176.300 -0.020 0.000 1.136 506 R CA 1.990 58.075 56.100 -0.025 0.000 0.959 506 R CB -0.172 30.112 30.300 -0.027 0.000 0.856 506 R HN 0.292 nan 8.270 nan 0.000 0.437 507 D N 0.244 120.630 120.400 -0.023 0.000 2.104 507 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 507 D C 1.751 178.045 176.300 -0.011 0.000 0.994 507 D CA 1.648 55.639 54.000 -0.015 0.000 0.830 507 D CB -0.361 40.430 40.800 -0.016 0.000 0.959 507 D HN 0.375 nan 8.370 nan 0.000 0.452 508 A N 0.629 123.441 122.820 -0.012 0.000 1.908 508 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 508 A C 2.424 180.004 177.584 -0.006 0.000 1.181 508 A CA 1.120 53.153 52.037 -0.007 0.000 0.627 508 A CB -0.807 18.189 19.000 -0.007 0.000 0.818 508 A HN 0.226 nan 8.150 nan 0.000 0.445 509 L N -1.471 119.746 121.223 -0.009 0.000 2.005 509 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 509 L C 2.830 179.697 176.870 -0.006 0.000 1.072 509 L CA 1.732 56.567 54.840 -0.007 0.000 0.744 509 L CB -0.549 41.505 42.059 -0.008 0.000 0.895 509 L HN 0.432 nan 8.230 nan 0.000 0.433 510 R N 0.386 120.882 120.500 -0.007 0.000 2.103 510 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 510 R C 1.988 178.286 176.300 -0.003 0.000 1.142 510 R CA 1.693 57.790 56.100 -0.005 0.000 0.960 510 R CB -0.158 30.139 30.300 -0.005 0.000 0.858 510 R HN 0.431 nan 8.270 nan 0.000 0.439 511 N N 0.392 119.091 118.700 -0.003 0.000 2.381 511 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 511 N C 1.544 177.053 175.510 -0.001 0.000 1.025 511 N CA 0.824 53.873 53.050 -0.001 0.000 0.888 511 N CB 0.009 38.497 38.487 0.001 0.000 0.965 511 N HN 0.253 nan 8.380 nan 0.000 0.438 512 I N 1.229 121.797 120.570 -0.003 0.000 2.188 512 I HA -0.143 4.027 4.170 -0.000 0.000 0.237 512 I C 2.285 178.400 176.117 -0.003 0.000 1.073 512 I CA 0.821 62.119 61.300 -0.004 0.000 1.359 512 I CB -1.092 36.905 38.000 -0.005 0.000 1.083 512 I HN 0.096 nan 8.210 nan 0.000 0.412 513 K N 0.849 121.247 120.400 -0.004 0.000 2.218 513 K HA -0.227 4.093 4.320 -0.000 0.000 0.205 513 K C 1.551 178.150 176.600 -0.002 0.000 1.046 513 K CA 1.484 57.769 56.287 -0.003 0.000 0.933 513 K CB 0.128 32.626 32.500 -0.003 0.000 0.728 513 K HN 0.257 nan 8.250 nan 0.000 0.454 514 N N -0.207 118.492 118.700 -0.002 0.000 2.191 514 N HA -0.092 4.647 4.740 -0.000 0.000 0.193 514 N C 1.387 176.896 175.510 -0.000 0.000 1.053 514 N CA 2.085 55.135 53.050 -0.001 0.000 0.943 514 N CB -0.924 37.563 38.487 -0.000 0.000 1.119 514 N HN 0.277 nan 8.380 nan 0.000 0.487 515 T N -1.079 113.475 114.554 0.000 0.000 2.142 515 T HA -0.325 4.025 4.350 -0.000 0.000 0.179 515 T C 0.524 175.224 174.700 0.000 0.000 1.682 515 T CA 1.947 64.048 62.100 0.001 0.000 0.955 515 T CB -1.197 67.671 68.868 0.001 0.000 0.784 515 T HN 0.365 nan 8.240 nan 0.000 0.441 516 N N 0.000 118.699 118.700 -0.001 0.000 1.763 516 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 516 N CA 0.000 53.049 53.050 -0.001 0.000 0.885 516 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 516 N HN 0.000 nan 8.380 nan 0.000 0.667