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 2np7_1_A DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTAYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.146 176.094 0.087 0.000 1.182 21 V CA 0.000 62.316 62.300 0.026 0.000 1.235 21 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 22 E N 0.169 120.455 120.200 0.144 0.000 2.312 22 E HA 0.745 5.100 4.350 0.009 0.000 0.267 22 E C -0.999 175.767 176.600 0.275 0.000 0.894 22 E CA -0.288 56.213 56.400 0.168 0.000 0.773 22 E CB 2.485 32.261 29.700 0.128 0.000 1.241 22 E HN 0.238 nan 8.360 nan 0.000 0.432 23 T N 3.391 118.048 114.554 0.172 0.000 2.841 23 T HA 0.403 4.759 4.350 0.009 0.000 0.285 23 T C -2.578 172.073 174.700 -0.082 0.000 0.991 23 T CA -1.376 60.794 62.100 0.115 0.000 0.966 23 T CB 1.515 70.475 68.868 0.153 0.000 0.962 23 T HN 0.269 nan 8.240 nan 0.000 0.438 24 P HA 0.166 nan 4.420 nan 0.000 0.266 24 P C -1.909 175.322 177.300 -0.115 0.000 1.195 24 P CA -1.207 61.785 63.100 -0.180 0.000 0.768 24 P CB 0.187 31.733 31.700 -0.256 0.000 0.838 25 P HA -0.219 nan 4.420 nan 0.000 0.216 25 P C 1.197 178.477 177.300 -0.034 0.000 1.150 25 P CA 1.560 64.615 63.100 -0.074 0.000 0.843 25 P CB -0.101 31.560 31.700 -0.065 0.000 0.787 26 E N -0.698 119.495 120.200 -0.012 0.000 2.358 26 E HA -0.039 4.317 4.350 0.009 0.000 0.195 26 E C 1.868 178.636 176.600 0.280 0.000 1.010 26 E CA 0.731 57.165 56.400 0.057 0.000 0.856 26 E CB -1.366 28.279 29.700 -0.091 0.000 0.795 26 E HN 0.130 nan 8.360 nan 0.000 0.504 27 V N 1.445 121.500 119.914 0.235 0.000 2.323 27 V HA -0.192 3.934 4.120 0.009 0.000 0.244 27 V C 2.625 178.835 176.094 0.194 0.000 1.041 27 V CA 1.280 63.706 62.300 0.211 0.000 1.025 27 V CB -0.446 31.369 31.823 -0.014 0.000 0.656 27 V HN 0.079 nan 8.190 nan 0.000 0.451 28 V N 0.511 120.456 119.914 0.051 0.000 2.252 28 V HA -0.321 3.805 4.120 0.009 0.000 0.249 28 V C 2.326 178.456 176.094 0.061 0.000 1.056 28 V CA 2.433 64.697 62.300 -0.061 0.000 1.022 28 V CB -0.778 30.835 31.823 -0.350 0.000 0.641 28 V HN 0.549 nan 8.190 nan 0.000 0.445 29 D N -0.685 119.755 120.400 0.068 0.000 2.117 29 D HA -0.172 4.474 4.640 0.009 0.000 0.197 29 D C 1.868 178.260 176.300 0.153 0.000 0.987 29 D CA 1.265 55.315 54.000 0.082 0.000 0.829 29 D CB -0.378 40.457 40.800 0.059 0.000 0.961 29 D HN 0.446 nan 8.370 nan 0.000 0.460 30 F N 1.133 121.124 119.950 0.069 0.000 2.095 30 F HA -0.149 4.383 4.527 0.009 0.000 0.298 30 F C 2.294 178.085 175.800 -0.015 0.000 1.104 30 F CA 1.324 59.347 58.000 0.038 0.000 1.232 30 F CB -0.430 38.621 39.000 0.086 0.000 0.987 30 F HN -0.138 nan 8.300 nan 0.000 0.475 31 M N -0.722 118.808 119.600 -0.116 0.000 2.117 31 M HA -0.182 4.304 4.480 0.009 0.000 0.262 31 M C 2.033 178.302 176.300 -0.052 0.000 1.065 31 M CA 1.431 56.621 55.300 -0.183 0.000 1.114 31 M CB -0.551 32.129 32.600 0.133 0.000 1.361 31 M HN 0.018 nan 8.290 nan 0.000 0.408 32 V N 0.111 120.086 119.914 0.100 0.000 2.515 32 V HA -0.225 3.900 4.120 0.009 0.000 0.250 32 V C 2.524 178.705 176.094 0.145 0.000 1.058 32 V CA 2.040 64.463 62.300 0.206 0.000 1.064 32 V CB -0.901 31.044 31.823 0.203 0.000 0.675 32 V HN 0.635 nan 8.190 nan 0.000 0.461 33 S N -0.178 115.530 115.700 0.013 0.000 2.442 33 S HA -0.083 4.393 4.470 0.009 0.000 0.236 33 S C 1.783 176.333 174.600 -0.083 0.000 1.007 33 S CA 1.326 59.520 58.200 -0.011 0.000 0.965 33 S CB -0.437 62.756 63.200 -0.010 0.000 0.773 33 S HN 0.568 nan 8.310 nan 0.000 0.504 34 L N 0.803 121.894 121.223 -0.220 0.000 2.477 34 L HA 0.381 4.727 4.340 0.009 0.000 0.220 34 L C 1.399 178.214 176.870 -0.092 0.000 1.106 34 L CA 0.131 54.817 54.840 -0.257 0.000 0.851 34 L CB -0.437 41.311 42.059 -0.519 0.000 0.994 34 L HN 0.361 nan 8.230 nan 0.000 0.462 35 A N 1.363 124.193 122.820 0.017 0.000 2.340 35 A HA 0.459 4.784 4.320 0.009 0.000 0.268 35 A C -0.061 177.584 177.584 0.102 0.000 1.100 35 A CA -0.175 51.908 52.037 0.077 0.000 0.803 35 A CB 0.267 19.373 19.000 0.177 0.000 1.043 35 A HN 0.370 nan 8.150 nan 0.000 0.488 36 E N 0.113 120.329 120.200 0.027 0.000 2.366 36 E HA 0.737 5.093 4.350 0.009 0.000 0.278 36 E C -1.019 175.578 176.600 -0.005 0.000 0.923 36 E CA -0.928 55.477 56.400 0.009 0.000 0.761 36 E CB 2.013 31.710 29.700 -0.006 0.000 1.231 36 E HN 1.106 nan 8.360 nan 0.000 0.443 37 A N 2.306 125.163 122.820 0.062 0.000 2.574 37 A HA 0.665 4.990 4.320 0.009 0.000 0.297 37 A C -2.761 174.952 177.584 0.216 0.000 1.062 37 A CA -1.292 50.801 52.037 0.093 0.000 0.686 37 A CB 1.219 20.221 19.000 0.002 0.000 1.285 37 A HN 0.583 nan 8.150 nan 0.000 0.403 38 P HA 0.291 nan 4.420 nan 0.000 0.272 38 P C -0.492 176.897 177.300 0.148 0.000 1.230 38 P CA -0.297 62.878 63.100 0.125 0.000 0.788 38 P CB 0.544 32.279 31.700 0.058 0.000 0.949 39 R N 0.138 120.646 120.500 0.013 0.000 2.590 39 R HA 0.316 4.661 4.340 0.009 0.000 0.274 39 R C 1.315 177.526 176.300 -0.147 0.000 1.061 39 R CA 1.074 57.054 56.100 -0.199 0.000 1.081 39 R CB -0.268 29.899 30.300 -0.222 0.000 0.984 39 R HN 0.898 nan 8.270 nan 0.000 0.448 40 G N 1.632 110.293 108.800 -0.232 0.000 2.179 40 G HA2 -0.254 3.711 3.960 0.009 0.000 0.260 40 G HA3 -0.254 3.711 3.960 0.009 0.000 0.260 40 G C 0.495 175.384 174.900 -0.018 0.000 0.977 40 G CA -0.031 45.006 45.100 -0.105 0.000 0.641 40 G HN 0.895 nan 8.290 nan 0.000 0.533 41 G N -0.466 108.380 108.800 0.077 0.000 2.594 41 G HA2 0.494 4.460 3.960 0.009 0.000 0.243 41 G HA3 0.494 4.460 3.960 0.009 0.000 0.243 41 G C 0.142 175.092 174.900 0.084 0.000 1.229 41 G CA -0.471 44.700 45.100 0.118 0.000 0.843 41 G HN 0.519 nan 8.290 nan 0.000 0.578 42 R N -0.018 120.508 120.500 0.043 0.000 2.202 42 R HA 0.397 4.743 4.340 0.009 0.000 0.334 42 R C -0.700 175.733 176.300 0.221 0.000 1.036 42 R CA -0.390 55.759 56.100 0.082 0.000 0.878 42 R CB 1.559 31.797 30.300 -0.105 0.000 1.067 42 R HN 0.245 nan 8.270 nan 0.000 0.457 43 V N 5.318 125.312 119.914 0.132 0.000 2.417 43 V HA 0.393 4.519 4.120 0.009 0.000 0.291 43 V C -0.760 175.415 176.094 0.134 0.000 1.024 43 V CA -0.872 61.426 62.300 -0.003 0.000 0.861 43 V CB 1.590 33.219 31.823 -0.324 0.000 0.985 43 V HN 0.485 nan 8.190 nan 0.000 0.436 44 L N 4.033 125.240 121.223 -0.028 0.000 2.385 44 L HA 0.647 4.992 4.340 0.009 0.000 0.273 44 L C -0.446 176.348 176.870 -0.128 0.000 0.990 44 L CA -0.116 54.617 54.840 -0.178 0.000 0.821 44 L CB 1.936 43.544 42.059 -0.751 0.000 1.279 44 L HN 0.789 nan 8.230 nan 0.000 0.412 45 E N 6.369 126.519 120.200 -0.083 0.000 2.101 45 E HA 0.484 4.840 4.350 0.009 0.000 0.260 45 E C -2.544 173.932 176.600 -0.207 0.000 0.897 45 E CA -2.187 54.153 56.400 -0.100 0.000 0.744 45 E CB 1.280 30.984 29.700 0.007 0.000 1.140 45 E HN 0.442 nan 8.360 nan 0.000 0.419 46 P HA 0.106 nan 4.420 nan 0.000 0.274 46 P C -0.811 176.312 177.300 -0.294 0.000 1.231 46 P CA 0.122 62.876 63.100 -0.577 0.000 0.790 46 P CB 1.077 32.043 31.700 -1.222 0.000 0.951 47 A N 1.417 124.147 122.820 -0.149 0.000 2.560 47 A HA -0.237 4.088 4.320 0.009 0.000 0.299 47 A C 1.356 178.871 177.584 -0.115 0.000 1.484 47 A CA 0.993 52.982 52.037 -0.080 0.000 0.749 47 A CB -2.351 16.555 19.000 -0.156 0.000 1.072 47 A HN 0.797 nan 8.150 nan 0.000 0.426 48 C N -2.462 116.776 119.300 -0.104 0.000 2.495 48 C HA 0.500 4.966 4.460 0.009 0.000 0.275 48 C C 2.327 177.257 174.990 -0.099 0.000 1.392 48 C CA 0.652 59.613 59.018 -0.095 0.000 1.766 48 C CB -1.227 26.459 27.740 -0.091 0.000 1.933 48 C HN 2.632 nan 8.230 nan 0.000 0.519 49 A N 2.537 125.321 122.820 -0.061 0.000 5.251 49 A HA -0.418 3.908 4.320 0.009 0.000 0.334 49 A C 1.402 178.979 177.584 -0.011 0.000 1.764 49 A CA 2.733 54.762 52.037 -0.012 0.000 0.708 49 A CB -2.457 16.571 19.000 0.047 0.000 1.420 49 A HN 1.381 nan 8.150 nan 0.000 0.394 50 H N 0.230 119.283 119.070 -0.028 0.000 2.547 50 H HA 0.450 5.012 4.556 0.009 0.000 0.266 50 H C 1.257 176.561 175.328 -0.040 0.000 0.988 50 H CA 1.043 57.066 56.048 -0.043 0.000 1.147 50 H CB -0.627 29.112 29.762 -0.038 0.000 1.365 50 H HN 2.350 nan 8.280 nan 0.000 0.589 51 G N 1.541 110.126 108.800 -0.359 0.000 2.326 51 G HA2 -0.228 3.738 3.960 0.009 0.000 0.286 51 G HA3 -0.228 3.738 3.960 0.009 0.000 0.286 51 G C -1.292 173.488 174.900 -0.201 0.000 1.096 51 G CA 0.090 45.069 45.100 -0.203 0.000 1.003 51 G HN 0.490 nan 8.290 nan 0.000 0.503 52 P HA -0.083 nan 4.420 nan 0.000 0.218 52 P C 1.603 178.808 177.300 -0.158 0.000 1.149 52 P CA 0.905 63.850 63.100 -0.258 0.000 0.817 52 P CB -0.036 31.466 31.700 -0.331 0.000 0.785 53 F N -0.239 119.701 119.950 -0.017 0.000 2.163 53 F HA -0.046 4.486 4.527 0.009 0.000 0.297 53 F C 2.621 178.509 175.800 0.147 0.000 1.094 53 F CA 0.947 58.984 58.000 0.062 0.000 1.290 53 F CB -1.306 37.716 39.000 0.037 0.000 1.017 53 F HN -0.272 nan 8.300 nan 0.000 0.483 54 L N -0.294 121.124 121.223 0.325 0.000 2.012 54 L HA -0.258 4.087 4.340 0.009 0.000 0.210 54 L C 2.554 179.598 176.870 0.290 0.000 1.073 54 L CA 1.562 56.619 54.840 0.361 0.000 0.748 54 L CB -0.690 41.578 42.059 0.349 0.000 0.891 54 L HN 0.079 nan 8.230 nan 0.000 0.431 55 R N -0.127 120.540 120.500 0.278 0.000 2.073 55 R HA -0.118 4.228 4.340 0.009 0.000 0.234 55 R C 2.477 178.820 176.300 0.072 0.000 1.134 55 R CA 1.375 57.612 56.100 0.230 0.000 0.952 55 R CB -0.554 29.869 30.300 0.206 0.000 0.850 55 R HN 0.357 nan 8.270 nan 0.000 0.433 56 A N 0.592 123.454 122.820 0.069 0.000 1.933 56 A HA -0.189 4.136 4.320 0.009 0.000 0.218 56 A C 1.983 179.609 177.584 0.070 0.000 1.175 56 A CA 1.127 53.180 52.037 0.028 0.000 0.628 56 A CB -0.608 18.380 19.000 -0.020 0.000 0.814 56 A HN 0.358 nan 8.150 nan 0.000 0.444 57 F N 0.237 120.223 119.950 0.060 0.000 2.146 57 F HA -0.100 4.432 4.527 0.009 0.000 0.298 57 F C 2.386 178.234 175.800 0.081 0.000 1.096 57 F CA 1.908 59.982 58.000 0.124 0.000 1.275 57 F CB -0.188 38.943 39.000 0.218 0.000 1.008 57 F HN 0.168 nan 8.300 nan 0.000 0.480 58 R N 0.206 120.737 120.500 0.053 0.000 2.081 58 R HA -0.153 4.192 4.340 0.009 0.000 0.235 58 R C 2.229 178.403 176.300 -0.210 0.000 1.131 58 R CA 1.506 57.499 56.100 -0.178 0.000 0.960 58 R CB -0.279 29.506 30.300 -0.858 0.000 0.856 58 R HN 0.200 nan 8.270 nan 0.000 0.436 59 E N 0.203 120.289 120.200 -0.190 0.000 2.085 59 E HA -0.186 4.169 4.350 0.009 0.000 0.194 59 E C 1.762 178.237 176.600 -0.208 0.000 0.994 59 E CA 1.562 57.864 56.400 -0.164 0.000 0.801 59 E CB -0.178 29.453 29.700 -0.114 0.000 0.743 59 E HN 0.451 nan 8.360 nan 0.000 0.453 60 A N -0.079 122.552 122.820 -0.314 0.000 1.898 60 A HA -0.107 4.218 4.320 0.009 0.000 0.214 60 A C 1.470 178.677 177.584 -0.628 0.000 1.183 60 A CA 1.370 53.100 52.037 -0.512 0.000 0.622 60 A CB -0.448 18.132 19.000 -0.701 0.000 0.824 60 A HN 0.286 nan 8.150 nan 0.000 0.444 61 H N -1.881 116.983 119.070 -0.343 0.000 2.755 61 H HA 0.438 4.999 4.556 0.009 0.000 0.273 61 H C 1.127 176.470 175.328 0.024 0.000 1.055 61 H CA 0.229 56.130 56.048 -0.245 0.000 1.191 61 H CB 0.600 30.011 29.762 -0.586 0.000 1.536 61 H HN 0.777 nan 8.280 nan 0.000 0.529 62 G N 0.445 109.288 108.800 0.072 0.000 2.660 62 G HA2 -0.323 3.642 3.960 0.009 0.000 0.215 62 G HA3 -0.323 3.642 3.960 0.009 0.000 0.215 62 G C 1.017 176.061 174.900 0.240 0.000 1.345 62 G CA 0.066 45.222 45.100 0.093 0.000 0.877 62 G HN 0.383 nan 8.290 nan 0.000 0.549 63 T N -2.364 112.268 114.554 0.131 0.000 3.044 63 T HA 0.555 4.911 4.350 0.009 0.000 0.250 63 T C 1.652 176.458 174.700 0.177 0.000 1.081 63 T CA 1.418 63.615 62.100 0.162 0.000 1.040 63 T CB 0.384 69.264 68.868 0.021 0.000 0.962 63 T HN 2.121 nan 8.240 nan 0.000 0.506 64 A N 1.144 123.923 122.820 -0.068 0.000 3.029 64 A HA 0.569 4.895 4.320 0.009 0.000 0.251 64 A C -0.808 176.347 177.584 -0.715 0.000 1.749 64 A CA -0.540 51.308 52.037 -0.314 0.000 1.386 64 A CB -1.195 17.598 19.000 -0.344 0.000 1.043 64 A HN 0.641 nan 8.150 nan 0.000 0.638 65 Y N -1.152 119.127 120.300 -0.034 0.000 2.644 65 Y HA 0.604 5.160 4.550 0.009 0.000 0.338 65 Y C 0.064 175.778 175.900 -0.311 0.000 1.119 65 Y CA -1.409 56.533 58.100 -0.263 0.000 1.060 65 Y CB 1.165 39.294 38.460 -0.551 0.000 1.294 65 Y HN 0.151 nan 8.280 nan 0.000 0.472 66 R N 1.568 122.007 120.500 -0.101 0.000 2.215 66 R HA 0.376 4.721 4.340 0.009 0.000 0.336 66 R C -1.790 174.499 176.300 -0.019 0.000 0.996 66 R CA -0.530 55.576 56.100 0.010 0.000 0.847 66 R CB -0.352 29.989 30.300 0.069 0.000 1.127 66 R HN 0.472 nan 8.270 nan 0.000 0.465 67 F N 1.658 121.818 119.950 0.349 0.000 2.410 67 F HA 0.396 4.928 4.527 0.009 0.000 0.349 67 F C 0.530 176.505 175.800 0.291 0.000 1.117 67 F CA -0.785 57.430 58.000 0.358 0.000 1.104 67 F CB 1.454 40.775 39.000 0.535 0.000 1.122 67 F HN 0.003 nan 8.300 nan 0.000 0.483 68 V N 2.174 122.336 119.914 0.412 0.000 2.656 68 V HA 0.834 4.959 4.120 0.009 0.000 0.307 68 V C -0.016 176.153 176.094 0.125 0.000 1.051 68 V CA -0.844 61.626 62.300 0.283 0.000 0.893 68 V CB 1.847 33.923 31.823 0.423 0.000 0.999 68 V HN 0.896 nan 8.190 nan 0.000 0.426 69 G N 2.527 111.343 108.800 0.028 0.000 2.566 69 G HA2 0.659 4.625 3.960 0.009 0.000 0.311 69 G HA3 0.659 4.625 3.960 0.009 0.000 0.311 69 G C -1.442 173.357 174.900 -0.169 0.000 1.322 69 G CA -0.540 44.518 45.100 -0.070 0.000 0.969 69 G HN 0.544 nan 8.290 nan 0.000 0.490 70 V N 1.441 121.207 119.914 -0.247 0.000 2.459 70 V HA 0.690 4.816 4.120 0.009 0.000 0.295 70 V C -0.497 175.504 176.094 -0.156 0.000 1.029 70 V CA -0.667 61.450 62.300 -0.305 0.000 0.874 70 V CB 1.563 33.093 31.823 -0.489 0.000 0.985 70 V HN 0.837 nan 8.190 nan 0.000 0.438 71 E N 2.992 123.128 120.200 -0.107 0.000 2.321 71 E HA 0.436 4.792 4.350 0.009 0.000 0.278 71 E C -0.228 176.370 176.600 -0.004 0.000 0.902 71 E CA -0.528 55.848 56.400 -0.040 0.000 0.758 71 E CB 2.024 31.697 29.700 -0.044 0.000 1.213 71 E HN 0.502 nan 8.360 nan 0.000 0.426 72 I N 1.673 122.266 120.570 0.039 0.000 3.030 72 I HA 0.122 4.298 4.170 0.009 0.000 0.270 72 I C -0.102 176.044 176.117 0.048 0.000 1.211 72 I CA 0.473 61.811 61.300 0.064 0.000 1.479 72 I CB 0.558 38.626 38.000 0.113 0.000 1.105 72 I HN 0.420 nan 8.210 nan 0.000 0.447 73 D N 1.224 121.642 120.400 0.030 0.000 2.427 73 D HA 0.178 4.823 4.640 0.009 0.000 0.226 73 D C -1.638 174.671 176.300 0.014 0.000 1.076 73 D CA -2.704 51.311 54.000 0.025 0.000 0.849 73 D CB 1.339 42.151 40.800 0.019 0.000 1.052 73 D HN 0.014 nan 8.370 nan 0.000 0.515 74 P HA -0.176 nan 4.420 nan 0.000 0.218 74 P C 0.744 178.048 177.300 0.006 0.000 1.146 74 P CA 1.063 64.168 63.100 0.009 0.000 0.813 74 P CB 0.412 32.120 31.700 0.014 0.000 0.778 75 K N -0.702 119.703 120.400 0.009 0.000 2.366 75 K HA 0.102 4.428 4.320 0.009 0.000 0.198 75 K C 2.063 178.666 176.600 0.006 0.000 1.044 75 K CA 0.887 57.178 56.287 0.006 0.000 0.973 75 K CB -0.133 32.372 32.500 0.008 0.000 0.767 75 K HN 0.073 nan 8.250 nan 0.000 0.475 76 A N 0.800 123.625 122.820 0.007 0.000 2.044 76 A HA 0.071 4.396 4.320 0.009 0.000 0.213 76 A C 0.716 178.307 177.584 0.012 0.000 1.169 76 A CA -0.155 51.890 52.037 0.012 0.000 0.724 76 A CB 0.053 19.059 19.000 0.010 0.000 0.840 76 A HN 0.203 nan 8.150 nan 0.000 0.463 77 L N 1.299 122.520 121.223 -0.002 0.000 2.500 77 L HA 0.355 4.701 4.340 0.009 0.000 0.272 77 L C -0.907 175.953 176.870 -0.017 0.000 1.149 77 L CA 0.491 55.321 54.840 -0.016 0.000 0.897 77 L CB 0.278 42.320 42.059 -0.027 0.000 1.178 77 L HN 0.197 nan 8.230 nan 0.000 0.473 78 D N 5.017 125.406 120.400 -0.019 0.000 2.823 78 D HA 0.267 4.913 4.640 0.009 0.000 0.255 78 D C -1.357 174.907 176.300 -0.059 0.000 1.257 78 D CA -0.187 53.799 54.000 -0.023 0.000 0.803 78 D CB 0.038 40.846 40.800 0.014 0.000 1.384 78 D HN 0.440 nan 8.370 nan 0.000 0.541 79 L N 1.662 122.810 121.223 -0.126 0.000 2.331 79 L HA 0.678 5.024 4.340 0.009 0.000 0.275 79 L C -1.764 174.902 176.870 -0.340 0.000 1.022 79 L CA -1.872 52.817 54.840 -0.251 0.000 0.812 79 L CB 1.383 43.283 42.059 -0.264 0.000 1.257 79 L HN 0.101 nan 8.230 nan 0.000 0.435 80 P HA 0.181 nan 4.420 nan 0.000 0.273 80 P C -2.143 174.807 177.300 -0.584 0.000 1.250 80 P CA -1.101 61.632 63.100 -0.612 0.000 0.793 80 P CB -0.015 31.113 31.700 -0.953 0.000 1.011 81 P HA -0.159 nan 4.420 nan 0.000 0.217 81 P C 1.072 178.361 177.300 -0.018 0.000 1.148 81 P CA 1.379 64.417 63.100 -0.102 0.000 0.828 81 P CB -0.419 31.289 31.700 0.014 0.000 0.783 82 W N -1.160 120.180 121.300 0.066 0.000 2.825 82 W HA 0.410 5.075 4.660 0.009 0.000 0.243 82 W C -0.083 176.543 176.519 0.179 0.000 1.293 82 W CA -0.095 57.318 57.345 0.113 0.000 1.403 82 W CB -0.718 28.797 29.460 0.091 0.000 1.134 82 W HN -0.111 nan 8.180 nan 0.000 0.666 83 A N 1.580 124.407 122.820 0.012 0.000 2.330 83 A HA 0.355 4.681 4.320 0.009 0.000 0.327 83 A C -0.546 177.090 177.584 0.087 0.000 1.155 83 A CA -0.675 51.440 52.037 0.129 0.000 0.803 83 A CB 1.180 20.073 19.000 -0.178 0.000 1.208 83 A HN 0.219 nan 8.150 nan 0.000 0.477 84 E N 1.813 122.118 120.200 0.175 0.000 2.223 84 E HA 0.399 4.755 4.350 0.009 0.000 0.282 84 E C 0.228 176.868 176.600 0.067 0.000 1.046 84 E CA -0.176 56.297 56.400 0.122 0.000 0.857 84 E CB 0.763 30.566 29.700 0.171 0.000 1.055 84 E HN 0.737 nan 8.360 nan 0.000 0.409 85 G N 4.793 113.602 108.800 0.016 0.000 2.348 85 G HA2 0.525 4.490 3.960 0.009 0.000 0.312 85 G HA3 0.525 4.490 3.960 0.009 0.000 0.312 85 G C -0.530 174.354 174.900 -0.027 0.000 1.126 85 G CA -0.528 44.557 45.100 -0.025 0.000 0.865 85 G HN 0.535 nan 8.290 nan 0.000 0.474 86 I N 1.604 122.121 120.570 -0.088 0.000 2.465 86 I HA 0.277 4.452 4.170 0.009 0.000 0.291 86 I C -0.466 175.575 176.117 -0.127 0.000 1.014 86 I CA -0.669 60.562 61.300 -0.115 0.000 1.093 86 I CB 2.435 40.283 38.000 -0.253 0.000 1.267 86 I HN 0.140 nan 8.210 nan 0.000 0.431 87 L N 6.573 127.760 121.223 -0.059 0.000 2.270 87 L HA 0.749 5.094 4.340 0.009 0.000 0.286 87 L C -0.007 176.856 176.870 -0.012 0.000 1.059 87 L CA -0.015 54.807 54.840 -0.030 0.000 0.839 87 L CB 0.678 42.738 42.059 0.002 0.000 1.221 87 L HN 0.761 nan 8.230 nan 0.000 0.431 88 A N 2.048 124.854 122.820 -0.023 0.000 2.601 88 A HA 0.371 4.696 4.320 0.009 0.000 0.291 88 A C -1.538 176.099 177.584 0.087 0.000 1.075 88 A CA -0.715 51.344 52.037 0.037 0.000 0.671 88 A CB 1.380 20.397 19.000 0.028 0.000 1.277 88 A HN 0.452 nan 8.150 nan 0.000 0.417 89 D N 0.899 121.393 120.400 0.155 0.000 2.346 89 D HA 0.140 4.786 4.640 0.009 0.000 0.260 89 D C 0.867 177.302 176.300 0.225 0.000 1.252 89 D CA -0.153 53.976 54.000 0.214 0.000 0.895 89 D CB 0.067 41.018 40.800 0.252 0.000 1.097 89 D HN 0.431 nan 8.370 nan 0.000 0.489 90 F N 4.541 124.517 119.950 0.044 0.000 2.154 90 F HA -0.204 4.328 4.527 0.009 0.000 0.301 90 F C 1.644 177.453 175.800 0.016 0.000 1.087 90 F CA 1.364 59.358 58.000 -0.010 0.000 1.274 90 F CB -0.050 38.830 39.000 -0.200 0.000 1.009 90 F HN 0.457 nan 8.300 nan 0.000 0.485 91 L N -0.302 120.811 121.223 -0.183 0.000 2.275 91 L HA -0.169 4.176 4.340 0.009 0.000 0.215 91 L C 1.830 178.731 176.870 0.051 0.000 1.119 91 L CA 0.834 55.594 54.840 -0.133 0.000 0.790 91 L CB -0.480 41.474 42.059 -0.174 0.000 0.919 91 L HN 0.262 nan 8.230 nan 0.000 0.443 92 L N -2.556 118.729 121.223 0.105 0.000 2.766 92 L HA 0.100 4.445 4.340 0.009 0.000 0.242 92 L C 0.338 177.265 176.870 0.094 0.000 1.136 92 L CA -0.536 54.362 54.840 0.096 0.000 0.933 92 L CB 0.120 42.274 42.059 0.160 0.000 1.241 92 L HN 0.243 nan 8.230 nan 0.000 0.522 93 W N 2.956 124.195 121.300 -0.101 0.000 2.266 93 W HA 0.185 4.850 4.660 0.009 0.000 0.317 93 W C 0.021 176.490 176.519 -0.084 0.000 1.310 93 W CA -0.109 57.197 57.345 -0.066 0.000 1.207 93 W CB 0.663 30.102 29.460 -0.034 0.000 1.199 93 W HN -0.104 nan 8.180 nan 0.000 0.544 94 E N 8.209 128.099 120.200 -0.517 0.000 2.255 94 E HA 0.213 4.569 4.350 0.009 0.000 0.245 94 E C -2.031 174.103 176.600 -0.777 0.000 0.909 94 E CA -1.699 54.337 56.400 -0.606 0.000 0.747 94 E CB 0.780 30.308 29.700 -0.287 0.000 1.215 94 E HN 0.366 nan 8.360 nan 0.000 0.424 95 P HA 0.059 nan 4.420 nan 0.000 0.271 95 P C 0.973 178.103 177.300 -0.283 0.000 1.233 95 P CA -0.171 62.564 63.100 -0.608 0.000 0.789 95 P CB 0.941 32.330 31.700 -0.518 0.000 0.951 96 G N 0.003 108.720 108.800 -0.139 0.000 2.421 96 G HA2 -0.102 3.863 3.960 0.009 0.000 0.217 96 G HA3 -0.102 3.863 3.960 0.009 0.000 0.217 96 G C 0.460 175.285 174.900 -0.125 0.000 1.143 96 G CA 0.449 45.486 45.100 -0.105 0.000 0.784 96 G HN 0.664 nan 8.290 nan 0.000 0.541 97 E N -0.510 119.590 120.200 -0.166 0.000 2.293 97 E HA 0.596 4.952 4.350 0.009 0.000 0.270 97 E C -0.279 176.134 176.600 -0.311 0.000 0.879 97 E CA -0.896 55.379 56.400 -0.207 0.000 0.756 97 E CB 2.037 31.609 29.700 -0.213 0.000 1.208 97 E HN 0.131 nan 8.360 nan 0.000 0.428 98 A N 2.593 125.285 122.820 -0.212 0.000 2.292 98 A HA 0.510 4.835 4.320 0.009 0.000 0.265 98 A C -0.873 176.535 177.584 -0.295 0.000 1.133 98 A CA -0.004 51.966 52.037 -0.111 0.000 0.807 98 A CB 0.197 19.199 19.000 0.003 0.000 1.102 98 A HN 0.492 nan 8.150 nan 0.000 0.502 99 F N -1.189 118.784 119.950 0.037 0.000 2.546 99 F HA 0.321 4.853 4.527 0.009 0.000 0.320 99 F C 1.030 176.841 175.800 0.018 0.000 1.076 99 F CA -0.543 57.483 58.000 0.044 0.000 0.928 99 F CB 1.971 41.020 39.000 0.082 0.000 1.189 99 F HN 0.673 nan 8.300 nan 0.000 0.465 100 D N 0.814 121.315 120.400 0.168 0.000 2.162 100 D HA 0.011 4.657 4.640 0.009 0.000 0.205 100 D C -0.128 176.203 176.300 0.051 0.000 0.964 100 D CA 1.370 55.418 54.000 0.080 0.000 0.847 100 D CB 0.551 41.381 40.800 0.049 0.000 0.988 100 D HN 0.156 nan 8.370 nan 0.000 0.480 101 L N 0.735 121.981 121.223 0.039 0.000 2.436 101 L HA 0.428 4.773 4.340 0.009 0.000 0.268 101 L C -1.644 175.180 176.870 -0.077 0.000 0.974 101 L CA -0.465 54.326 54.840 -0.083 0.000 0.826 101 L CB 2.204 44.096 42.059 -0.279 0.000 1.291 101 L HN -0.211 nan 8.230 nan 0.000 0.406 102 I N 6.277 126.783 120.570 -0.108 0.000 2.466 102 I HA 0.544 4.720 4.170 0.009 0.000 0.289 102 I C -1.233 174.784 176.117 -0.167 0.000 1.026 102 I CA -0.766 60.448 61.300 -0.143 0.000 1.078 102 I CB 1.752 39.667 38.000 -0.141 0.000 1.249 102 I HN 0.482 nan 8.210 nan 0.000 0.429 103 L N 4.263 125.416 121.223 -0.115 0.000 2.376 103 L HA 1.143 5.489 4.340 0.009 0.000 0.258 103 L C -0.090 176.627 176.870 -0.254 0.000 1.013 103 L CA -0.684 54.077 54.840 -0.131 0.000 0.822 103 L CB 1.234 43.194 42.059 -0.166 0.000 1.388 103 L HN 0.751 nan 8.230 nan 0.000 0.413 104 G N 0.365 108.798 108.800 -0.612 0.000 2.352 104 G HA2 0.133 4.099 3.960 0.009 0.000 0.283 104 G HA3 0.133 4.099 3.960 0.009 0.000 0.283 104 G C -2.000 172.353 174.900 -0.912 0.000 1.308 104 G CA -0.439 43.948 45.100 -1.188 0.000 0.892 104 G HN 1.011 nan 8.290 nan 0.000 0.504 105 N N 1.547 119.876 118.700 -0.618 0.000 2.682 105 N HA 0.492 5.237 4.740 0.009 0.000 0.252 105 N C -2.513 172.679 175.510 -0.531 0.000 1.081 105 N CA -1.410 51.401 53.050 -0.398 0.000 0.844 105 N CB 1.956 40.461 38.487 0.029 0.000 1.167 105 N HN 0.395 nan 8.380 nan 0.000 0.523 106 P HA 0.255 nan 4.420 nan 0.000 0.274 106 P C -2.742 174.130 177.300 -0.714 0.000 1.237 106 P CA -0.949 61.577 63.100 -0.956 0.000 0.793 106 P CB 0.264 31.320 31.700 -1.073 0.000 0.977 107 P HA 0.109 nan 4.420 nan 0.000 0.272 107 P C -0.992 176.065 177.300 -0.404 0.000 1.230 107 P CA 0.286 63.024 63.100 -0.604 0.000 0.788 107 P CB 0.139 31.497 31.700 -0.570 0.000 0.949 108 Y N -1.927 118.238 120.300 -0.225 0.000 2.570 108 Y HA 0.853 5.409 4.550 0.010 0.000 0.345 108 Y C 0.010 175.882 175.900 -0.048 0.000 1.014 108 Y CA -1.210 56.842 58.100 -0.079 0.000 1.063 108 Y CB 1.440 39.848 38.460 -0.086 0.000 1.272 108 Y HN 0.881 nan 8.280 nan 0.000 0.477 109 G N 1.076 109.979 108.800 0.171 0.000 2.316 109 G HA2 0.199 4.164 3.960 0.009 0.000 0.468 109 G HA3 0.199 4.164 3.960 0.009 0.000 0.468 109 G C -1.847 173.089 174.900 0.060 0.000 1.523 109 G CA -1.110 44.061 45.100 0.118 0.000 0.972 109 G HN 0.862 nan 8.290 nan 0.000 0.667 110 I N 0.856 121.476 120.570 0.083 0.000 2.416 110 I HA 0.247 4.422 4.170 0.009 0.000 0.288 110 I C 0.852 176.997 176.117 0.048 0.000 1.051 110 I CA -0.724 60.576 61.300 0.001 0.000 1.375 110 I CB 1.426 39.378 38.000 -0.080 0.000 1.407 110 I HN 0.253 nan 8.210 nan 0.000 0.516 111 V N 6.699 126.665 119.914 0.087 0.000 2.415 111 V HA 0.565 4.691 4.120 0.009 0.000 0.267 111 V C 0.742 176.897 176.094 0.101 0.000 1.042 111 V CA 0.284 62.685 62.300 0.168 0.000 1.000 111 V CB -0.054 31.972 31.823 0.338 0.000 1.015 111 V HN 1.054 nan 8.190 nan 0.000 0.478 112 G N 3.696 112.606 108.800 0.183 0.000 2.428 112 G HA2 0.318 4.283 3.960 0.009 0.000 0.304 112 G HA3 0.318 4.283 3.960 0.009 0.000 0.304 112 G C -1.005 174.114 174.900 0.366 0.000 1.303 112 G CA -0.757 44.478 45.100 0.225 0.000 0.825 112 G HN 0.520 nan 8.290 nan 0.000 0.484 113 E N 0.116 120.517 120.200 0.334 0.000 2.465 113 E HA 0.302 4.658 4.350 0.009 0.000 0.260 113 E C 1.616 178.310 176.600 0.156 0.000 0.980 113 E CA 0.428 56.940 56.400 0.186 0.000 0.927 113 E CB 1.087 30.873 29.700 0.143 0.000 0.934 113 E HN 0.661 nan 8.360 nan 0.000 0.459 114 A N 3.461 126.240 122.820 -0.068 0.000 2.024 114 A HA -0.205 4.120 4.320 0.009 0.000 0.220 114 A C 2.094 179.661 177.584 -0.029 0.000 1.164 114 A CA 1.806 53.738 52.037 -0.175 0.000 0.643 114 A CB -0.544 18.084 19.000 -0.620 0.000 0.806 114 A HN 0.709 nan 8.150 nan 0.000 0.451 115 S N -1.436 114.239 115.700 -0.041 0.000 2.469 115 S HA -0.091 4.385 4.470 0.009 0.000 0.238 115 S C 1.543 176.090 174.600 -0.088 0.000 0.998 115 S CA 1.715 59.887 58.200 -0.046 0.000 0.957 115 S CB -0.022 63.156 63.200 -0.036 0.000 0.764 115 S HN 0.481 nan 8.310 nan 0.000 0.514 116 K N -0.978 119.328 120.400 -0.156 0.000 2.550 116 K HA 0.395 4.721 4.320 0.009 0.000 0.205 116 K C -0.871 175.351 176.600 -0.629 0.000 1.429 116 K CA 0.005 56.021 56.287 -0.453 0.000 0.997 116 K CB 0.654 32.742 32.500 -0.687 0.000 1.328 116 K HN 0.470 nan 8.250 nan 0.000 0.546 117 Y N 0.101 120.478 120.300 0.129 0.000 2.524 117 Y HA 0.338 4.894 4.550 0.009 0.000 0.344 117 Y C -1.859 174.145 175.900 0.174 0.000 1.012 117 Y CA -2.357 55.823 58.100 0.133 0.000 1.068 117 Y CB 1.899 40.433 38.460 0.123 0.000 1.249 117 Y HN -0.121 nan 8.280 nan 0.000 0.468 118 P HA 0.027 nan 4.420 nan 0.000 0.230 118 P C -0.072 176.925 177.300 -0.506 0.000 1.168 118 P CA 1.091 64.159 63.100 -0.054 0.000 0.793 118 P CB 0.999 32.688 31.700 -0.019 0.000 0.851 119 I N 1.529 121.929 120.570 -0.283 0.000 2.307 119 I HA 0.207 4.382 4.170 0.009 0.000 0.289 119 I C 0.015 176.033 176.117 -0.165 0.000 1.021 119 I CA -1.055 60.076 61.300 -0.282 0.000 1.224 119 I CB -0.215 37.762 38.000 -0.039 0.000 1.376 119 I HN 0.006 nan 8.210 nan 0.000 0.470 120 H N 5.297 124.381 119.070 0.023 0.000 2.638 120 H HA 0.585 5.146 4.556 0.009 0.000 0.303 120 H C -0.016 175.250 175.328 -0.103 0.000 1.034 120 H CA -0.801 55.227 56.048 -0.033 0.000 1.225 120 H CB 1.762 31.489 29.762 -0.058 0.000 1.394 120 H HN 0.471 nan 8.280 nan 0.000 0.477 121 V N 0.265 120.176 119.914 -0.006 0.000 3.074 121 V HA 0.548 4.673 4.120 0.009 0.000 0.314 121 V C -0.363 175.621 176.094 -0.183 0.000 1.117 121 V CA -1.263 60.963 62.300 -0.123 0.000 1.014 121 V CB 1.294 33.096 31.823 -0.035 0.000 1.057 121 V HN 0.451 nan 8.190 nan 0.000 0.438 122 F N 1.416 121.357 119.950 -0.014 0.000 2.563 122 F HA 0.301 4.834 4.527 0.009 0.000 0.363 122 F C 1.859 177.618 175.800 -0.069 0.000 1.123 122 F CA 0.598 58.579 58.000 -0.032 0.000 1.307 122 F CB 0.632 39.610 39.000 -0.037 0.000 1.115 122 F HN 0.801 nan 8.300 nan 0.000 0.592 123 K N 2.326 122.805 120.400 0.131 0.000 2.113 123 K HA -0.241 4.084 4.320 0.009 0.000 0.208 123 K C 2.035 178.621 176.600 -0.023 0.000 1.047 123 K CA 1.440 57.745 56.287 0.030 0.000 0.928 123 K CB -0.233 32.286 32.500 0.032 0.000 0.716 123 K HN 0.796 nan 8.250 nan 0.000 0.446 124 A N 0.569 123.391 122.820 0.003 0.000 1.940 124 A HA -0.123 4.203 4.320 0.009 0.000 0.219 124 A C 2.209 179.722 177.584 -0.118 0.000 1.176 124 A CA 1.759 53.763 52.037 -0.054 0.000 0.631 124 A CB -0.567 18.403 19.000 -0.051 0.000 0.814 124 A HN 0.188 nan 8.150 nan 0.000 0.446 125 V N 0.009 119.848 119.914 -0.125 0.000 2.307 125 V HA -0.238 3.887 4.120 0.009 0.000 0.245 125 V C 2.504 178.213 176.094 -0.642 0.000 1.045 125 V CA 2.278 64.382 62.300 -0.328 0.000 1.024 125 V CB -0.628 31.049 31.823 -0.243 0.000 0.651 125 V HN 0.632 nan 8.190 nan 0.000 0.449 126 K N -0.109 120.027 120.400 -0.440 0.000 2.057 126 K HA -0.219 4.107 4.320 0.009 0.000 0.207 126 K C 1.873 178.259 176.600 -0.355 0.000 1.049 126 K CA 1.761 57.811 56.287 -0.395 0.000 0.931 126 K CB -0.218 32.188 32.500 -0.155 0.000 0.714 126 K HN 0.470 nan 8.250 nan 0.000 0.440 127 D N 0.962 121.212 120.400 -0.251 0.000 2.123 127 D HA -0.181 4.465 4.640 0.009 0.000 0.196 127 D C 1.966 178.133 176.300 -0.222 0.000 0.992 127 D CA 0.980 54.851 54.000 -0.214 0.000 0.833 127 D CB -0.136 40.579 40.800 -0.143 0.000 0.954 127 D HN 0.244 nan 8.370 nan 0.000 0.455 128 L N 0.008 121.103 121.223 -0.214 0.000 2.093 128 L HA -0.191 4.155 4.340 0.009 0.000 0.208 128 L C 2.487 179.296 176.870 -0.102 0.000 1.085 128 L CA 0.769 55.514 54.840 -0.158 0.000 0.755 128 L CB -0.319 41.666 42.059 -0.123 0.000 0.904 128 L HN 0.047 nan 8.230 nan 0.000 0.435 129 Y N 0.662 120.808 120.300 -0.256 0.000 2.145 129 Y HA -0.226 4.330 4.550 0.009 0.000 0.286 129 Y C 2.541 178.182 175.900 -0.433 0.000 1.145 129 Y CA 0.851 58.798 58.100 -0.254 0.000 1.148 129 Y CB -0.736 37.526 38.460 -0.329 0.000 0.981 129 Y HN 0.149 nan 8.280 nan 0.000 0.507 130 K N 0.098 120.200 120.400 -0.497 0.000 2.148 130 K HA -0.162 4.163 4.320 0.009 0.000 0.204 130 K C 2.167 178.605 176.600 -0.270 0.000 1.050 130 K CA 1.109 57.073 56.287 -0.539 0.000 0.942 130 K CB -0.106 32.059 32.500 -0.558 0.000 0.724 130 K HN 0.171 nan 8.250 nan 0.000 0.446 131 K N 0.770 121.021 120.400 -0.248 0.000 2.057 131 K HA -0.097 4.228 4.320 0.009 0.000 0.207 131 K C 2.046 178.480 176.600 -0.277 0.000 1.049 131 K CA 1.218 57.377 56.287 -0.213 0.000 0.931 131 K CB -0.026 32.363 32.500 -0.185 0.000 0.714 131 K HN 0.122 nan 8.250 nan 0.000 0.440 132 A N 0.241 122.795 122.820 -0.444 0.000 2.016 132 A HA 0.028 4.353 4.320 0.009 0.000 0.217 132 A C 0.169 177.269 177.584 -0.808 0.000 1.162 132 A CA 0.661 52.246 52.037 -0.754 0.000 0.662 132 A CB 0.001 18.287 19.000 -1.191 0.000 0.812 132 A HN 0.170 nan 8.150 nan 0.000 0.450 133 F N -0.100 119.807 119.950 -0.072 0.000 2.403 133 F HA 0.318 4.850 4.527 0.009 0.000 0.355 133 F C 1.449 177.191 175.800 -0.098 0.000 1.119 133 F CA -0.616 57.343 58.000 -0.068 0.000 1.007 133 F CB 1.463 40.502 39.000 0.065 0.000 1.194 133 F HN 0.102 nan 8.300 nan 0.000 0.443 134 S N -0.522 115.175 115.700 -0.005 0.000 2.474 134 S HA -0.151 4.325 4.470 0.009 0.000 0.235 134 S C 1.666 176.203 174.600 -0.105 0.000 0.997 134 S CA 1.256 59.422 58.200 -0.057 0.000 0.949 134 S CB -0.738 62.432 63.200 -0.049 0.000 0.766 134 S HN 0.727 nan 8.310 nan 0.000 0.517 135 T N -3.670 110.775 114.554 -0.181 0.000 3.081 135 T HA 0.085 4.441 4.350 0.009 0.000 0.250 135 T C 0.422 174.724 174.700 -0.663 0.000 1.100 135 T CA -0.584 61.342 62.100 -0.291 0.000 1.038 135 T CB -0.526 68.192 68.868 -0.251 0.000 0.962 135 T HN 0.511 nan 8.240 nan 0.000 0.516 136 W N 3.327 124.165 121.300 -0.770 0.000 2.505 136 W HA 0.340 5.006 4.660 0.010 0.000 0.332 136 W C -0.115 175.992 176.519 -0.687 0.000 1.434 136 W CA 0.149 56.870 57.345 -1.039 0.000 1.320 136 W CB 0.002 29.241 29.460 -0.367 0.000 1.363 136 W HN 0.231 nan 8.180 nan 0.000 0.565 137 K N 4.857 124.787 120.400 -0.783 0.000 2.501 137 K HA 0.462 4.788 4.320 0.009 0.000 0.252 137 K C 0.559 177.018 176.600 -0.236 0.000 0.934 137 K CA 0.184 56.281 56.287 -0.316 0.000 0.797 137 K CB 1.174 33.506 32.500 -0.279 0.000 1.270 137 K HN 0.671 nan 8.250 nan 0.000 0.431 138 G N 3.303 112.053 108.800 -0.084 0.000 2.596 138 G HA2 -0.380 3.585 3.960 0.009 0.000 0.295 138 G HA3 -0.380 3.585 3.960 0.009 0.000 0.295 138 G C 0.532 175.412 174.900 -0.033 0.000 1.240 138 G CA 0.573 45.639 45.100 -0.057 0.000 0.985 138 G HN 0.736 nan 8.290 nan 0.000 0.555 139 K N -1.164 119.182 120.400 -0.091 0.000 2.148 139 K HA 0.081 4.407 4.320 0.009 0.000 0.204 139 K C 1.340 177.808 176.600 -0.221 0.000 1.050 139 K CA 1.092 57.308 56.287 -0.119 0.000 0.942 139 K CB -0.080 32.298 32.500 -0.203 0.000 0.724 139 K HN 0.596 nan 8.250 nan 0.000 0.446 140 Y N 0.220 120.157 120.300 -0.605 0.000 2.893 140 Y HA -0.396 4.159 4.550 0.009 0.000 0.458 140 Y C -0.127 175.337 175.900 -0.726 0.000 1.197 140 Y CA 0.668 58.184 58.100 -0.973 0.000 2.417 140 Y CB -0.514 36.923 38.460 -1.706 0.000 1.230 140 Y HN 0.309 nan 8.280 nan 0.000 0.639 141 N N -0.208 117.796 118.700 -1.160 0.000 2.555 141 N HA 0.192 4.937 4.740 0.009 0.000 0.265 141 N C -0.061 175.087 175.510 -0.603 0.000 1.135 141 N CA -0.137 52.515 53.050 -0.662 0.000 0.925 141 N CB 1.171 39.356 38.487 -0.502 0.000 1.662 141 N HN 0.503 nan 8.380 nan 0.000 0.489 142 L N 2.827 123.926 121.223 -0.206 0.000 2.081 142 L HA -0.176 4.169 4.340 0.009 0.000 0.212 142 L C 2.254 179.101 176.870 -0.039 0.000 1.080 142 L CA 1.992 56.809 54.840 -0.039 0.000 0.754 142 L CB -1.297 40.765 42.059 0.005 0.000 0.893 142 L HN 0.758 nan 8.230 nan 0.000 0.433 143 Y N -1.802 118.403 120.300 -0.158 0.000 2.293 143 Y HA 0.100 4.655 4.550 0.009 0.000 0.291 143 Y C 2.196 178.021 175.900 -0.124 0.000 1.137 143 Y CA 0.924 58.927 58.100 -0.160 0.000 1.202 143 Y CB -1.394 36.957 38.460 -0.181 0.000 0.990 143 Y HN 0.007 nan 8.280 nan 0.000 0.537 144 G N 0.838 109.216 108.800 -0.703 0.000 2.421 144 G HA2 -0.232 3.733 3.960 0.009 0.000 0.216 144 G HA3 -0.232 3.733 3.960 0.009 0.000 0.216 144 G C 1.852 176.612 174.900 -0.232 0.000 1.171 144 G CA 1.321 46.069 45.100 -0.587 0.000 0.775 144 G HN 0.665 nan 8.290 nan 0.000 0.543 145 A N 0.183 122.842 122.820 -0.269 0.000 1.902 145 A HA 0.139 4.465 4.320 0.009 0.000 0.217 145 A C 2.172 179.483 177.584 -0.455 0.000 1.181 145 A CA 1.285 53.022 52.037 -0.501 0.000 0.623 145 A CB -0.525 18.186 19.000 -0.482 0.000 0.818 145 A HN 0.272 nan 8.150 nan 0.000 0.443 146 F N -0.067 119.766 119.950 -0.195 0.000 2.134 146 F HA -0.111 4.422 4.527 0.009 0.000 0.299 146 F C 2.118 178.090 175.800 0.286 0.000 1.097 146 F CA 1.395 59.477 58.000 0.136 0.000 1.264 146 F CB -0.403 38.642 39.000 0.075 0.000 1.001 146 F HN 0.104 nan 8.300 nan 0.000 0.479 147 L N -0.399 121.021 121.223 0.328 0.000 2.017 147 L HA -0.230 4.116 4.340 0.009 0.000 0.208 147 L C 2.518 179.389 176.870 0.002 0.000 1.073 147 L CA 1.757 56.693 54.840 0.160 0.000 0.745 147 L CB -0.633 41.428 42.059 0.003 0.000 0.894 147 L HN 0.160 nan 8.230 nan 0.000 0.432 148 E N 0.310 120.453 120.200 -0.095 0.000 2.051 148 E HA -0.299 4.056 4.350 0.009 0.000 0.192 148 E C 2.164 178.758 176.600 -0.010 0.000 0.991 148 E CA 1.313 57.603 56.400 -0.182 0.000 0.799 148 E CB 0.130 29.611 29.700 -0.365 0.000 0.748 148 E HN 0.114 nan 8.360 nan 0.000 0.449 149 K N 0.847 121.232 120.400 -0.025 0.000 2.044 149 K HA -0.166 4.160 4.320 0.009 0.000 0.210 149 K C 1.817 178.482 176.600 0.109 0.000 1.049 149 K CA 1.805 58.128 56.287 0.060 0.000 0.927 149 K CB -0.687 31.709 32.500 -0.174 0.000 0.713 149 K HN 0.208 nan 8.250 nan 0.000 0.443 150 A N -0.097 122.851 122.820 0.214 0.000 1.877 150 A HA -0.114 4.212 4.320 0.009 0.000 0.216 150 A C 2.371 179.992 177.584 0.061 0.000 1.186 150 A CA 1.905 54.050 52.037 0.181 0.000 0.620 150 A CB -0.847 18.125 19.000 -0.046 0.000 0.822 150 A HN 0.130 nan 8.150 nan 0.000 0.443 151 V N 0.219 120.138 119.914 0.008 0.000 2.287 151 V HA -0.309 3.816 4.120 0.009 0.000 0.248 151 V C 2.594 178.771 176.094 0.138 0.000 1.053 151 V CA 2.345 64.651 62.300 0.010 0.000 1.027 151 V CB -0.863 30.924 31.823 -0.059 0.000 0.646 151 V HN 0.537 nan 8.190 nan 0.000 0.447 152 R N -0.443 120.167 120.500 0.184 0.000 2.200 152 R HA -0.067 4.279 4.340 0.009 0.000 0.234 152 R C 1.947 178.309 176.300 0.103 0.000 1.127 152 R CA 1.094 57.286 56.100 0.155 0.000 0.989 152 R CB -0.282 30.100 30.300 0.136 0.000 0.869 152 R HN 0.454 nan 8.270 nan 0.000 0.459 153 L N 0.617 121.913 121.223 0.121 0.000 2.592 153 L HA 0.090 4.436 4.340 0.009 0.000 0.227 153 L C -0.003 177.004 176.870 0.228 0.000 1.127 153 L CA -0.350 54.589 54.840 0.164 0.000 0.884 153 L CB 0.096 42.282 42.059 0.213 0.000 1.065 153 L HN 0.034 nan 8.230 nan 0.000 0.457 154 L N 0.995 122.323 121.223 0.176 0.000 2.349 154 L HA 0.168 4.513 4.340 0.009 0.000 0.275 154 L C 0.540 177.483 176.870 0.122 0.000 1.115 154 L CA 0.154 55.096 54.840 0.170 0.000 0.820 154 L CB 0.723 42.888 42.059 0.178 0.000 1.135 154 L HN 0.015 nan 8.230 nan 0.000 0.445 155 K N 4.342 124.800 120.400 0.096 0.000 2.319 155 K HA 0.167 4.493 4.320 0.009 0.000 0.265 155 K C -2.183 174.446 176.600 0.048 0.000 1.000 155 K CA -1.407 54.909 56.287 0.049 0.000 0.943 155 K CB -0.051 32.464 32.500 0.025 0.000 0.950 155 K HN 0.391 nan 8.250 nan 0.000 0.485 156 P HA -0.099 nan 4.420 nan 0.000 0.264 156 P C 0.516 177.819 177.300 0.006 0.000 1.183 156 P CA 1.020 64.130 63.100 0.017 0.000 0.763 156 P CB 0.449 32.154 31.700 0.007 0.000 0.807 157 G N 1.901 110.693 108.800 -0.013 0.000 2.205 157 G HA2 -0.200 3.766 3.960 0.009 0.000 0.261 157 G HA3 -0.200 3.766 3.960 0.009 0.000 0.261 157 G C 0.691 175.579 174.900 -0.021 0.000 0.980 157 G CA -0.083 45.000 45.100 -0.028 0.000 0.632 157 G HN 0.897 nan 8.290 nan 0.000 0.533 158 G N -0.915 107.892 108.800 0.011 0.000 2.614 158 G HA2 0.541 4.506 3.960 0.009 0.000 0.239 158 G HA3 0.541 4.506 3.960 0.009 0.000 0.239 158 G C -0.088 174.821 174.900 0.016 0.000 1.240 158 G CA 0.481 45.600 45.100 0.032 0.000 0.842 158 G HN 1.064 nan 8.290 nan 0.000 0.584 159 V N 1.563 121.483 119.914 0.010 0.000 2.604 159 V HA 0.519 4.644 4.120 0.009 0.000 0.305 159 V C -0.408 175.679 176.094 -0.011 0.000 1.043 159 V CA -0.754 61.543 62.300 -0.005 0.000 0.888 159 V CB 1.559 33.361 31.823 -0.034 0.000 0.995 159 V HN 0.709 nan 8.190 nan 0.000 0.429 160 L N 5.846 127.074 121.223 0.008 0.000 2.362 160 L HA 0.815 5.161 4.340 0.009 0.000 0.275 160 L C -0.879 175.915 176.870 -0.127 0.000 0.998 160 L CA -0.122 54.639 54.840 -0.131 0.000 0.820 160 L CB 1.988 43.938 42.059 -0.182 0.000 1.270 160 L HN 0.419 nan 8.230 nan 0.000 0.415 161 V N 5.919 125.734 119.914 -0.165 0.000 2.357 161 V HA 0.502 4.628 4.120 0.009 0.000 0.281 161 V C -0.804 175.321 176.094 0.053 0.000 1.015 161 V CA -0.372 61.887 62.300 -0.068 0.000 0.827 161 V CB 0.885 32.661 31.823 -0.079 0.000 1.018 161 V HN 0.527 nan 8.190 nan 0.000 0.432 162 F N 2.860 122.740 119.950 -0.116 0.000 2.522 162 F HA 0.680 5.212 4.527 0.009 0.000 0.324 162 F C 0.060 175.806 175.800 -0.089 0.000 1.077 162 F CA -1.538 56.368 58.000 -0.157 0.000 0.944 162 F CB 2.222 41.148 39.000 -0.124 0.000 1.175 162 F HN 0.252 nan 8.300 nan 0.000 0.468 163 V N 5.322 125.258 119.914 0.036 0.000 2.398 163 V HA 0.840 4.966 4.120 0.009 0.000 0.286 163 V C -1.164 174.860 176.094 -0.117 0.000 1.026 163 V CA -0.384 61.937 62.300 0.036 0.000 0.868 163 V CB 1.339 33.254 31.823 0.153 0.000 0.982 163 V HN 0.622 nan 8.190 nan 0.000 0.443 164 V N 4.138 123.961 119.914 -0.152 0.000 3.188 164 V HA 0.768 4.894 4.120 0.009 0.000 0.305 164 V C -2.961 172.858 176.094 -0.458 0.000 1.232 164 V CA -2.604 59.448 62.300 -0.414 0.000 1.043 164 V CB 1.850 33.422 31.823 -0.418 0.000 1.068 164 V HN 0.668 nan 8.190 nan 0.000 0.439 165 P HA 0.294 nan 4.420 nan 0.000 0.269 165 P C 0.535 177.658 177.300 -0.295 0.000 1.215 165 P CA 0.496 63.273 63.100 -0.539 0.000 0.780 165 P CB 0.823 32.159 31.700 -0.608 0.000 0.898 166 A N 1.757 124.447 122.820 -0.218 0.000 2.239 166 A HA -0.085 4.240 4.320 0.009 0.000 0.209 166 A C 1.861 179.223 177.584 -0.371 0.000 1.171 166 A CA 1.575 53.413 52.037 -0.330 0.000 0.768 166 A CB -1.571 17.282 19.000 -0.245 0.000 0.790 166 A HN 0.632 nan 8.150 nan 0.000 0.478 167 T N -2.165 112.309 114.554 -0.134 0.000 2.881 167 T HA -0.207 4.149 4.350 0.009 0.000 0.270 167 T C 1.764 176.396 174.700 -0.114 0.000 1.068 167 T CA 1.261 63.348 62.100 -0.022 0.000 1.131 167 T CB -0.707 68.239 68.868 0.130 0.000 0.871 167 T HN 0.854 nan 8.240 nan 0.000 0.479 168 W N 1.782 122.828 121.300 -0.424 0.000 2.525 168 W HA 0.120 4.787 4.660 0.011 0.000 0.259 168 W C 1.290 177.764 176.519 -0.075 0.000 1.253 168 W CA -0.179 56.864 57.345 -0.504 0.000 1.262 168 W CB -0.968 28.096 29.460 -0.661 0.000 1.122 168 W HN 0.235 nan 8.180 nan 0.000 0.607 169 L N 1.601 122.288 121.223 -0.894 0.000 2.127 169 L HA -0.209 4.137 4.340 0.009 0.000 0.211 169 L C 2.405 179.167 176.870 -0.179 0.000 1.089 169 L CA 2.223 56.595 54.840 -0.780 0.000 0.757 169 L CB -0.872 40.580 42.059 -1.012 0.000 0.899 169 L HN 0.097 nan 8.230 nan 0.000 0.434 170 V N -5.196 114.714 119.914 -0.007 0.000 3.480 170 V HA 0.240 4.365 4.120 0.009 0.000 0.263 170 V C 0.939 177.132 176.094 0.166 0.000 1.442 170 V CA -0.359 62.021 62.300 0.134 0.000 1.053 170 V CB 0.187 32.134 31.823 0.206 0.000 0.846 170 V HN 0.033 nan 8.190 nan 0.000 0.440 171 L N 1.507 122.872 121.223 0.237 0.000 2.371 171 L HA 0.401 4.746 4.340 0.009 0.000 0.272 171 L C 1.795 178.828 176.870 0.273 0.000 1.124 171 L CA -0.247 54.761 54.840 0.281 0.000 0.816 171 L CB 0.915 43.218 42.059 0.406 0.000 1.129 171 L HN 0.137 nan 8.230 nan 0.000 0.448 172 E N 1.200 121.494 120.200 0.157 0.000 2.118 172 E HA -0.212 4.144 4.350 0.009 0.000 0.195 172 E C 1.244 177.876 176.600 0.052 0.000 0.992 172 E CA 1.258 57.717 56.400 0.097 0.000 0.804 172 E CB 0.077 29.805 29.700 0.047 0.000 0.741 172 E HN 0.619 nan 8.360 nan 0.000 0.458 173 D N -0.665 119.724 120.400 -0.018 0.000 2.265 173 D HA -0.140 4.505 4.640 0.009 0.000 0.208 173 D C 0.840 176.944 176.300 -0.327 0.000 0.977 173 D CA 0.708 54.560 54.000 -0.247 0.000 0.871 173 D CB -0.168 40.350 40.800 -0.469 0.000 0.925 173 D HN 0.190 nan 8.370 nan 0.000 0.485 174 F N -0.729 119.315 119.950 0.156 0.000 2.639 174 F HA 0.402 4.935 4.527 0.009 0.000 0.302 174 F C 1.909 177.832 175.800 0.205 0.000 1.097 174 F CA -0.376 57.757 58.000 0.222 0.000 1.294 174 F CB -0.070 39.093 39.000 0.272 0.000 1.027 174 F HN -0.146 nan 8.300 nan 0.000 0.550 175 A N 0.583 123.546 122.820 0.238 0.000 1.908 175 A HA -0.149 4.176 4.320 0.009 0.000 0.218 175 A C 2.174 179.838 177.584 0.133 0.000 1.181 175 A CA 1.589 53.729 52.037 0.171 0.000 0.627 175 A CB -0.786 18.271 19.000 0.096 0.000 0.818 175 A HN 0.418 nan 8.150 nan 0.000 0.445 176 L N -1.178 120.095 121.223 0.084 0.000 2.093 176 L HA -0.142 4.204 4.340 0.009 0.000 0.208 176 L C 2.538 179.482 176.870 0.122 0.000 1.085 176 L CA 0.942 55.815 54.840 0.056 0.000 0.755 176 L CB -0.549 41.490 42.059 -0.034 0.000 0.904 176 L HN 0.450 nan 8.230 nan 0.000 0.435 177 L N 0.127 121.459 121.223 0.183 0.000 2.017 177 L HA -0.199 4.147 4.340 0.009 0.000 0.208 177 L C 2.747 179.804 176.870 0.312 0.000 1.073 177 L CA 1.752 56.742 54.840 0.250 0.000 0.745 177 L CB -0.502 41.769 42.059 0.354 0.000 0.894 177 L HN 0.090 nan 8.230 nan 0.000 0.432 178 R N -0.499 120.214 120.500 0.355 0.000 2.081 178 R HA -0.160 4.186 4.340 0.009 0.000 0.235 178 R C 2.157 178.433 176.300 -0.041 0.000 1.131 178 R CA 1.756 58.066 56.100 0.350 0.000 0.960 178 R CB -0.357 30.194 30.300 0.419 0.000 0.856 178 R HN 0.533 nan 8.270 nan 0.000 0.436 179 E N -0.077 120.114 120.200 -0.016 0.000 2.106 179 E HA -0.190 4.166 4.350 0.009 0.000 0.192 179 E C 1.645 178.241 176.600 -0.007 0.000 0.984 179 E CA 1.061 57.403 56.400 -0.098 0.000 0.806 179 E CB -0.159 29.525 29.700 -0.027 0.000 0.750 179 E HN 0.217 nan 8.360 nan 0.000 0.458 180 F N 1.474 121.399 119.950 -0.042 0.000 2.069 180 F HA -0.214 4.318 4.527 0.009 0.000 0.298 180 F C 1.872 177.677 175.800 0.009 0.000 1.113 180 F CA 1.437 59.428 58.000 -0.014 0.000 1.214 180 F CB -0.214 38.781 39.000 -0.008 0.000 0.978 180 F HN -0.089 nan 8.300 nan 0.000 0.474 181 L N 0.189 121.471 121.223 0.098 0.000 2.012 181 L HA -0.243 4.102 4.340 0.009 0.000 0.210 181 L C 2.852 179.863 176.870 0.235 0.000 1.073 181 L CA 1.304 56.212 54.840 0.114 0.000 0.748 181 L CB -1.371 40.897 42.059 0.347 0.000 0.891 181 L HN 0.293 nan 8.230 nan 0.000 0.431 182 A N 0.956 123.781 122.820 0.009 0.000 1.917 182 A HA -0.248 4.077 4.320 0.009 0.000 0.219 182 A C 2.371 179.962 177.584 0.011 0.000 1.182 182 A CA 2.177 54.166 52.037 -0.080 0.000 0.633 182 A CB -0.609 18.000 19.000 -0.651 0.000 0.819 182 A HN 0.589 nan 8.150 nan 0.000 0.448 183 R N -1.428 119.039 120.500 -0.055 0.000 2.246 183 R HA 0.113 4.458 4.340 0.009 0.000 0.199 183 R C 0.958 177.228 176.300 -0.050 0.000 0.984 183 R CA 0.965 57.037 56.100 -0.046 0.000 1.015 183 R CB -0.057 30.208 30.300 -0.058 0.000 0.930 183 R HN 0.319 nan 8.270 nan 0.000 0.475 184 E N 0.814 120.967 120.200 -0.077 0.000 2.385 184 E HA 0.171 4.526 4.350 0.009 0.000 0.194 184 E C 0.672 177.381 176.600 0.182 0.000 1.013 184 E CA 0.910 57.286 56.400 -0.039 0.000 0.866 184 E CB 1.173 30.667 29.700 -0.344 0.000 0.832 184 E HN 0.560 nan 8.360 nan 0.000 0.500 185 G N 0.961 109.865 108.800 0.174 0.000 2.392 185 G HA2 0.166 4.132 3.960 0.009 0.000 0.260 185 G HA3 0.166 4.132 3.960 0.009 0.000 0.260 185 G C -1.493 173.358 174.900 -0.082 0.000 1.226 185 G CA -0.631 44.392 45.100 -0.129 0.000 0.913 185 G HN 0.045 nan 8.290 nan 0.000 0.483 186 K N -0.507 119.711 120.400 -0.304 0.000 2.207 186 K HA 0.783 5.109 4.320 0.009 0.000 0.255 186 K C -1.241 175.339 176.600 -0.034 0.000 0.941 186 K CA -0.596 55.646 56.287 -0.075 0.000 0.825 186 K CB 2.133 34.593 32.500 -0.068 0.000 1.119 186 K HN 0.363 nan 8.250 nan 0.000 0.430 187 T N 1.422 116.072 114.554 0.160 0.000 2.824 187 T HA 0.304 4.659 4.350 0.009 0.000 0.282 187 T C -0.889 173.878 174.700 0.112 0.000 0.993 187 T CA -0.765 61.468 62.100 0.222 0.000 0.967 187 T CB 1.560 70.635 68.868 0.345 0.000 0.960 187 T HN 0.551 nan 8.240 nan 0.000 0.441 188 S N 2.052 117.834 115.700 0.138 0.000 2.478 188 S HA 0.622 5.098 4.470 0.009 0.000 0.312 188 S C -0.354 174.269 174.600 0.039 0.000 1.094 188 S CA -0.666 57.579 58.200 0.074 0.000 1.081 188 S CB 1.136 64.374 63.200 0.063 0.000 1.007 188 S HN 0.505 nan 8.310 nan 0.000 0.475 189 V N 4.446 124.341 119.914 -0.032 0.000 2.417 189 V HA 0.442 4.568 4.120 0.009 0.000 0.291 189 V C -1.475 174.619 176.094 -0.001 0.000 1.024 189 V CA -0.652 61.677 62.300 0.048 0.000 0.861 189 V CB 0.839 32.636 31.823 -0.043 0.000 0.985 189 V HN 0.830 nan 8.190 nan 0.000 0.436 190 Y N 3.907 124.368 120.300 0.269 0.000 2.345 190 Y HA 0.431 4.987 4.550 0.011 0.000 0.331 190 Y C -0.280 175.773 175.900 0.255 0.000 0.959 190 Y CA -0.916 57.382 58.100 0.329 0.000 1.204 190 Y CB 1.054 39.716 38.460 0.337 0.000 1.135 190 Y HN 0.675 nan 8.280 nan 0.000 0.477 191 Y N 4.163 124.653 120.300 0.316 0.000 2.402 191 Y HA 0.248 4.805 4.550 0.012 0.000 0.333 191 Y C 0.051 175.994 175.900 0.072 0.000 1.076 191 Y CA -0.016 58.201 58.100 0.195 0.000 1.299 191 Y CB 0.631 39.260 38.460 0.282 0.000 1.197 191 Y HN 0.724 nan 8.280 nan 0.000 0.517 192 L N 5.093 125.967 121.223 -0.581 0.000 2.467 192 L HA 0.374 4.720 4.340 0.009 0.000 0.213 192 L C 1.448 177.868 176.870 -0.749 0.000 1.053 192 L CA 0.404 54.896 54.840 -0.580 0.000 0.847 192 L CB -0.616 41.124 42.059 -0.531 0.000 1.075 192 L HN 1.008 nan 8.230 nan 0.000 0.479 193 G N 1.044 109.164 108.800 -1.135 0.000 2.542 193 G HA2 -0.254 3.711 3.960 0.009 0.000 0.235 193 G HA3 -0.254 3.711 3.960 0.009 0.000 0.235 193 G C -0.272 174.508 174.900 -0.200 0.000 1.286 193 G CA -0.358 44.347 45.100 -0.658 0.000 0.904 193 G HN 0.308 nan 8.290 nan 0.000 0.577 194 E N 1.129 121.295 120.200 -0.055 0.000 1.892 194 E HA 0.317 4.672 4.350 0.009 0.000 0.271 194 E C 1.315 177.949 176.600 0.056 0.000 1.146 194 E CA 0.368 56.779 56.400 0.019 0.000 1.096 194 E CB 0.556 30.269 29.700 0.021 0.000 1.155 194 E HN 1.018 nan 8.360 nan 0.000 0.458 195 V N -1.254 118.719 119.914 0.098 0.000 3.578 195 V HA 0.281 4.406 4.120 0.009 0.000 0.290 195 V C 0.112 176.173 176.094 -0.055 0.000 1.376 195 V CA -0.256 62.068 62.300 0.040 0.000 1.083 195 V CB -0.592 31.256 31.823 0.043 0.000 0.911 195 V HN 0.213 nan 8.190 nan 0.000 0.433 196 F N 2.824 122.759 119.950 -0.026 0.000 2.371 196 F HA 0.648 5.180 4.527 0.009 0.000 0.363 196 F C -2.067 173.722 175.800 -0.019 0.000 1.122 196 F CA -2.499 55.489 58.000 -0.021 0.000 1.129 196 F CB 0.960 39.934 39.000 -0.043 0.000 1.173 196 F HN 0.049 nan 8.300 nan 0.000 0.489 197 P HA -0.016 nan 4.420 nan 0.000 0.269 197 P C -0.162 177.185 177.300 0.078 0.000 1.209 197 P CA 0.047 63.184 63.100 0.062 0.000 0.776 197 P CB 0.533 32.248 31.700 0.024 0.000 0.876 198 Q N -0.892 118.938 119.800 0.051 0.000 2.393 198 Q HA -0.311 4.034 4.340 0.009 0.000 0.235 198 Q C -0.911 175.116 176.000 0.046 0.000 0.823 198 Q CA 1.529 57.357 55.803 0.042 0.000 1.284 198 Q CB -2.028 26.731 28.738 0.036 0.000 1.669 198 Q HN 0.444 nan 8.270 nan 0.000 0.597 199 K N 0.798 121.233 120.400 0.058 0.000 2.463 199 K HA 0.386 4.712 4.320 0.009 0.000 0.255 199 K C -0.891 175.697 176.600 -0.021 0.000 0.942 199 K CA -0.599 55.695 56.287 0.012 0.000 0.814 199 K CB 1.248 33.747 32.500 -0.001 0.000 1.122 199 K HN 0.130 nan 8.250 nan 0.000 0.425 200 K N 2.790 123.159 120.400 -0.053 0.000 2.502 200 K HA 0.159 4.485 4.320 0.009 0.000 0.244 200 K C -0.933 175.602 176.600 -0.110 0.000 1.249 200 K CA -0.214 56.038 56.287 -0.058 0.000 1.193 200 K CB 0.694 33.166 32.500 -0.046 0.000 1.674 200 K HN 0.159 nan 8.250 nan 0.000 0.302 201 V N 0.387 120.219 119.914 -0.137 0.000 2.709 201 V HA 0.264 4.389 4.120 0.009 0.000 0.308 201 V C -0.972 175.047 176.094 -0.126 0.000 1.062 201 V CA -0.661 61.518 62.300 -0.202 0.000 0.901 201 V CB 2.181 33.752 31.823 -0.419 0.000 1.003 201 V HN 0.390 nan 8.190 nan 0.000 0.425 202 S N 5.454 121.099 115.700 -0.091 0.000 2.430 202 S HA 0.789 5.264 4.470 0.009 0.000 0.289 202 S C -0.033 174.492 174.600 -0.124 0.000 1.143 202 S CA 0.175 58.344 58.200 -0.051 0.000 1.067 202 S CB 0.487 63.747 63.200 0.101 0.000 0.964 202 S HN 1.418 nan 8.310 nan 0.000 0.485 203 A N 4.111 126.829 122.820 -0.170 0.000 2.320 203 A HA 0.853 5.179 4.320 0.009 0.000 0.334 203 A C -0.127 177.348 177.584 -0.182 0.000 1.147 203 A CA -0.660 51.279 52.037 -0.164 0.000 0.820 203 A CB 1.198 20.182 19.000 -0.028 0.000 1.218 203 A HN 1.414 nan 8.150 nan 0.000 0.482 204 V N -0.942 118.924 119.914 -0.080 0.000 3.001 204 V HA 0.833 4.959 4.120 0.009 0.000 0.314 204 V C -0.518 175.648 176.094 0.120 0.000 1.099 204 V CA -0.808 61.506 62.300 0.022 0.000 0.989 204 V CB 1.389 33.250 31.823 0.063 0.000 1.040 204 V HN 0.666 nan 8.190 nan 0.000 0.434 205 V N 3.615 123.660 119.914 0.219 0.000 2.439 205 V HA 0.491 4.617 4.120 0.009 0.000 0.282 205 V C -0.021 176.289 176.094 0.360 0.000 1.039 205 V CA -0.342 62.106 62.300 0.247 0.000 0.913 205 V CB 1.493 33.426 31.823 0.183 0.000 0.983 205 V HN 0.882 nan 8.190 nan 0.000 0.460 206 I N 5.787 126.531 120.570 0.291 0.000 2.339 206 I HA 0.513 4.688 4.170 0.009 0.000 0.290 206 I C 0.078 176.328 176.117 0.221 0.000 0.994 206 I CA -0.521 60.960 61.300 0.301 0.000 1.191 206 I CB 0.535 38.680 38.000 0.241 0.000 1.343 206 I HN 0.608 nan 8.210 nan 0.000 0.458 207 R N 7.982 128.647 120.500 0.275 0.000 2.239 207 R HA 0.323 4.669 4.340 0.009 0.000 0.332 207 R C -1.927 174.497 176.300 0.208 0.000 0.988 207 R CA -0.506 55.708 56.100 0.189 0.000 0.859 207 R CB 0.966 31.384 30.300 0.197 0.000 1.148 207 R HN 0.641 nan 8.270 nan 0.000 0.482 208 F N 3.073 123.030 119.950 0.012 0.000 2.469 208 F HA 0.346 4.878 4.527 0.009 0.000 0.332 208 F C -0.847 174.951 175.800 -0.004 0.000 1.103 208 F CA -0.560 57.450 58.000 0.017 0.000 0.979 208 F CB 1.840 40.836 39.000 -0.007 0.000 1.137 208 F HN 0.462 nan 8.300 nan 0.000 0.463 209 Q N 5.163 124.473 119.800 -0.818 0.000 2.337 209 Q HA 0.266 4.612 4.340 0.009 0.000 0.270 209 Q C -1.062 174.377 176.000 -0.935 0.000 1.043 209 Q CA -0.939 54.504 55.803 -0.601 0.000 0.794 209 Q CB 1.827 30.397 28.738 -0.280 0.000 1.281 209 Q HN 0.760 nan 8.270 nan 0.000 0.446 210 K N 2.479 122.616 120.400 -0.438 0.000 2.715 210 K HA 0.154 4.479 4.320 0.009 0.000 0.248 210 K C -1.436 175.078 176.600 -0.142 0.000 1.276 210 K CA 0.200 56.374 56.287 -0.188 0.000 1.209 210 K CB -0.301 32.264 32.500 0.108 0.000 1.509 210 K HN 0.627 nan 8.250 nan 0.000 0.261 211 S N -0.904 114.667 115.700 -0.215 0.000 2.622 211 S HA 0.602 5.077 4.470 0.009 0.000 0.275 211 S C 0.094 174.625 174.600 -0.114 0.000 1.112 211 S CA -0.700 57.431 58.200 -0.115 0.000 0.837 211 S CB 0.862 64.013 63.200 -0.083 0.000 1.082 211 S HN 0.572 nan 8.310 nan 0.000 0.456 212 G N 1.619 110.386 108.800 -0.056 0.000 2.575 212 G HA2 0.076 4.042 3.960 0.009 0.000 0.267 212 G HA3 0.076 4.042 3.960 0.009 0.000 0.267 212 G C -0.456 174.435 174.900 -0.014 0.000 1.264 212 G CA 1.022 46.104 45.100 -0.031 0.000 0.935 212 G HN 2.073 nan 8.290 nan 0.000 0.568 213 K N -1.851 118.557 120.400 0.012 0.000 2.672 213 K HA 0.702 5.027 4.320 0.009 0.000 0.295 213 K C 0.135 176.792 176.600 0.096 0.000 1.042 213 K CA 0.177 56.505 56.287 0.068 0.000 0.869 213 K CB 1.170 33.716 32.500 0.077 0.000 1.541 213 K HN 2.786 nan 8.250 nan 0.000 0.396 214 G N -0.302 108.613 108.800 0.191 0.000 2.661 214 G HA2 0.162 4.127 3.960 0.009 0.000 0.685 214 G HA3 0.162 4.127 3.960 0.009 0.000 0.685 214 G C -1.939 173.104 174.900 0.239 0.000 1.298 214 G CA -0.399 44.827 45.100 0.209 0.000 0.855 214 G HN 1.002 nan 8.290 nan 0.000 0.560 215 L N -0.076 121.235 121.223 0.146 0.000 2.385 215 L HA 0.875 5.220 4.340 0.009 0.000 0.273 215 L C -0.012 176.829 176.870 -0.048 0.000 0.990 215 L CA -0.418 54.374 54.840 -0.081 0.000 0.821 215 L CB 2.346 44.049 42.059 -0.594 0.000 1.279 215 L HN 0.870 nan 8.230 nan 0.000 0.412 216 S N 5.137 120.803 115.700 -0.057 0.000 2.478 216 S HA 0.673 5.149 4.470 0.009 0.000 0.312 216 S C -0.994 173.526 174.600 -0.134 0.000 1.094 216 S CA -0.398 57.741 58.200 -0.102 0.000 1.081 216 S CB 1.371 64.588 63.200 0.028 0.000 1.007 216 S HN 0.614 nan 8.310 nan 0.000 0.475 217 L N 4.120 125.209 121.223 -0.223 0.000 2.296 217 L HA 0.703 5.049 4.340 0.009 0.000 0.286 217 L C -1.859 174.919 176.870 -0.153 0.000 1.023 217 L CA -0.229 54.498 54.840 -0.187 0.000 0.812 217 L CB 0.352 42.254 42.059 -0.263 0.000 1.223 217 L HN 0.683 nan 8.230 nan 0.000 0.421 218 W N 3.675 124.953 121.300 -0.037 0.000 2.666 218 W HA 0.458 5.127 4.660 0.014 0.000 0.334 218 W C -0.036 176.709 176.519 0.376 0.000 1.051 218 W CA -0.504 56.942 57.345 0.167 0.000 1.224 218 W CB 1.157 30.644 29.460 0.045 0.000 1.405 218 W HN 0.430 nan 8.180 nan 0.000 0.513 219 D N 0.554 121.358 120.400 0.674 0.000 2.423 219 D HA 0.531 5.176 4.640 0.009 0.000 0.255 219 D C -0.111 176.468 176.300 0.465 0.000 1.174 219 D CA 0.164 54.465 54.000 0.502 0.000 1.008 219 D CB 1.349 42.378 40.800 0.381 0.000 1.101 219 D HN 0.344 nan 8.370 nan 0.000 0.516 220 T N -2.017 112.734 114.554 0.329 0.000 2.901 220 T HA 0.658 5.014 4.350 0.009 0.000 0.293 220 T C -0.971 173.852 174.700 0.205 0.000 1.084 220 T CA -0.975 61.261 62.100 0.225 0.000 1.008 220 T CB 1.651 70.548 68.868 0.048 0.000 1.170 220 T HN 0.440 nan 8.240 nan 0.000 0.509 221 Q N 0.357 120.255 119.800 0.163 0.000 2.331 221 Q HA 0.483 4.829 4.340 0.009 0.000 0.272 221 Q C -1.113 174.892 176.000 0.008 0.000 1.062 221 Q CA -0.993 54.872 55.803 0.103 0.000 0.806 221 Q CB 2.069 30.854 28.738 0.078 0.000 1.312 221 Q HN 0.705 nan 8.270 nan 0.000 0.431 222 E N 1.574 121.714 120.200 -0.101 0.000 2.502 222 E HA 0.135 4.490 4.350 0.009 0.000 0.261 222 E C -0.422 176.040 176.600 -0.230 0.000 0.974 222 E CA 0.726 56.916 56.400 -0.351 0.000 0.936 222 E CB 0.612 30.121 29.700 -0.319 0.000 0.926 222 E HN 0.736 nan 8.360 nan 0.000 0.459 223 S N 0.492 116.024 115.700 -0.280 0.000 2.671 223 S HA 0.157 4.633 4.470 0.009 0.000 0.277 223 S C 0.616 175.122 174.600 -0.157 0.000 1.165 223 S CA -0.776 57.330 58.200 -0.156 0.000 0.822 223 S CB 1.456 64.606 63.200 -0.084 0.000 1.150 223 S HN 0.643 nan 8.310 nan 0.000 0.479 224 E N 1.094 121.236 120.200 -0.097 0.000 2.268 224 E HA -0.107 4.248 4.350 0.009 0.000 0.195 224 E C 1.538 178.094 176.600 -0.074 0.000 0.995 224 E CA 1.873 58.223 56.400 -0.083 0.000 0.836 224 E CB -0.369 29.298 29.700 -0.056 0.000 0.763 224 E HN 0.649 nan 8.360 nan 0.000 0.491 225 S N -1.654 114.012 115.700 -0.057 0.000 2.470 225 S HA 0.357 4.832 4.470 0.009 0.000 0.225 225 S C 1.538 176.117 174.600 -0.036 0.000 1.006 225 S CA 0.324 58.508 58.200 -0.027 0.000 0.934 225 S CB 0.291 63.499 63.200 0.013 0.000 0.778 225 S HN 0.627 nan 8.310 nan 0.000 0.517 226 G N 0.659 109.383 108.800 -0.126 0.000 2.650 226 G HA2 0.047 4.012 3.960 0.009 0.000 0.193 226 G HA3 0.047 4.012 3.960 0.009 0.000 0.193 226 G C -0.586 173.959 174.900 -0.591 0.000 2.403 226 G CA -0.451 44.488 45.100 -0.269 0.000 1.493 226 G HN 0.402 nan 8.290 nan 0.000 0.459 227 F N 1.907 121.743 119.950 -0.192 0.000 2.556 227 F HA 0.675 5.207 4.527 0.009 0.000 0.314 227 F C -0.087 175.533 175.800 -0.301 0.000 1.106 227 F CA -0.568 57.206 58.000 -0.377 0.000 0.911 227 F CB 2.715 41.211 39.000 -0.842 0.000 1.190 227 F HN 0.087 nan 8.300 nan 0.000 0.448 228 T N 4.854 119.402 114.554 -0.010 0.000 2.749 228 T HA 0.394 4.749 4.350 0.009 0.000 0.287 228 T C -2.690 172.084 174.700 0.123 0.000 0.970 228 T CA -1.516 60.625 62.100 0.068 0.000 0.980 228 T CB 1.222 70.138 68.868 0.080 0.000 0.924 228 T HN 0.148 nan 8.240 nan 0.000 0.456 229 P HA 0.435 nan 4.420 nan 0.000 0.282 229 P C -0.974 176.666 177.300 0.567 0.000 1.249 229 P CA -0.643 62.706 63.100 0.414 0.000 0.806 229 P CB 0.755 32.696 31.700 0.402 0.000 0.984 230 I N 3.183 124.157 120.570 0.674 0.000 2.439 230 I HA 0.201 4.376 4.170 0.009 0.000 0.285 230 I C 0.105 176.512 176.117 0.484 0.000 1.021 230 I CA -1.212 60.401 61.300 0.522 0.000 1.091 230 I CB 1.318 39.534 38.000 0.361 0.000 1.242 230 I HN 0.249 nan 8.210 nan 0.000 0.439 231 L N 6.612 127.902 121.223 0.112 0.000 2.513 231 L HA 0.039 4.385 4.340 0.009 0.000 0.272 231 L C 0.520 177.303 176.870 -0.145 0.000 1.187 231 L CA 0.912 55.433 54.840 -0.532 0.000 0.895 231 L CB 0.345 41.879 42.059 -0.874 0.000 1.147 231 L HN 0.692 nan 8.230 nan 0.000 0.483 232 W N 5.585 126.716 121.300 -0.281 0.000 2.780 232 W HA 0.471 5.138 4.660 0.010 0.000 0.272 232 W C -0.196 176.208 176.519 -0.192 0.000 1.116 232 W CA 0.730 58.016 57.345 -0.098 0.000 1.600 232 W CB 0.455 29.984 29.460 0.116 0.000 1.086 232 W HN 0.640 nan 8.180 nan 0.000 0.584 233 A N 0.851 123.644 122.820 -0.046 0.000 2.604 233 A HA 0.495 4.820 4.320 0.009 0.000 0.295 233 A C -1.481 175.871 177.584 -0.388 0.000 1.067 233 A CA -0.609 51.282 52.037 -0.243 0.000 0.683 233 A CB 1.377 20.300 19.000 -0.128 0.000 1.281 233 A HN 0.135 nan 8.150 nan 0.000 0.407 234 E N 0.234 120.107 120.200 -0.544 0.000 2.222 234 E HA 0.508 4.863 4.350 0.009 0.000 0.267 234 E C -1.921 174.281 176.600 -0.662 0.000 0.884 234 E CA -0.343 55.785 56.400 -0.453 0.000 0.764 234 E CB 2.084 31.603 29.700 -0.300 0.000 1.169 234 E HN 0.545 nan 8.360 nan 0.000 0.413 235 Y N 1.852 122.091 120.300 -0.102 0.000 2.787 235 Y HA 0.199 4.754 4.550 0.007 0.000 0.352 235 Y C -1.694 174.192 175.900 -0.024 0.000 1.027 235 Y CA -1.911 56.172 58.100 -0.029 0.000 1.219 235 Y CB 1.051 39.512 38.460 0.001 0.000 1.110 235 Y HN 0.448 nan 8.280 nan 0.000 0.614 236 P HA -0.166 nan 4.420 nan 0.000 0.225 236 P C 0.437 177.569 177.300 -0.280 0.000 1.148 236 P CA 1.693 64.639 63.100 -0.256 0.000 0.779 236 P CB 0.408 31.811 31.700 -0.494 0.000 0.780 237 H N -3.366 115.825 119.070 0.203 0.000 2.486 237 H HA 0.099 4.660 4.556 0.008 0.000 0.284 237 H C 0.061 175.534 175.328 0.241 0.000 1.103 237 H CA -1.085 55.072 56.048 0.182 0.000 1.089 237 H CB -0.681 29.159 29.762 0.130 0.000 1.603 237 H HN 0.146 nan 8.280 nan 0.000 0.557 238 W N 3.152 124.549 121.300 0.162 0.000 2.476 238 W HA -0.051 4.614 4.660 0.008 0.000 0.338 238 W C 0.530 177.115 176.519 0.111 0.000 1.328 238 W CA 0.460 57.880 57.345 0.125 0.000 1.300 238 W CB 0.411 29.939 29.460 0.112 0.000 1.252 238 W HN 0.182 nan 8.180 nan 0.000 0.568 239 E N 3.445 123.462 120.200 -0.305 0.000 2.548 239 E HA 0.244 4.599 4.350 0.009 0.000 0.206 239 E C 1.260 177.449 176.600 -0.686 0.000 1.005 239 E CA 0.419 56.582 56.400 -0.394 0.000 0.951 239 E CB 0.410 30.021 29.700 -0.148 0.000 1.035 239 E HN 0.810 nan 8.360 nan 0.000 0.470 240 G N 1.765 109.702 108.800 -1.440 0.000 2.154 240 G HA2 -0.206 3.760 3.960 0.009 0.000 0.186 240 G HA3 -0.206 3.760 3.960 0.009 0.000 0.186 240 G C -0.118 174.640 174.900 -0.237 0.000 1.000 240 G CA -0.545 43.953 45.100 -1.003 0.000 0.664 240 G HN 0.177 nan 8.290 nan 0.000 0.513 241 E N 0.032 120.172 120.200 -0.101 0.000 2.418 241 E HA 0.437 4.792 4.350 0.009 0.000 0.261 241 E C 1.306 178.098 176.600 0.320 0.000 1.070 241 E CA -0.214 56.277 56.400 0.151 0.000 0.931 241 E CB 0.691 30.481 29.700 0.150 0.000 0.954 241 E HN 0.430 nan 8.360 nan 0.000 0.439 242 I N 2.129 122.814 120.570 0.192 0.000 2.919 242 I HA -0.166 4.009 4.170 0.009 0.000 0.303 242 I C 0.195 176.355 176.117 0.071 0.000 1.221 242 I CA 0.854 62.248 61.300 0.157 0.000 1.444 242 I CB 0.079 38.169 38.000 0.151 0.000 1.331 242 I HN 0.295 nan 8.210 nan 0.000 0.572 243 I N 7.434 127.982 120.570 -0.037 0.000 2.336 243 I HA 0.413 4.588 4.170 0.009 0.000 0.292 243 I C 0.043 176.078 176.117 -0.137 0.000 0.991 243 I CA -0.426 60.727 61.300 -0.244 0.000 1.227 243 I CB 0.741 38.463 38.000 -0.465 0.000 1.366 243 I HN 0.569 nan 8.210 nan 0.000 0.466 244 R N 4.850 125.220 120.500 -0.216 0.000 2.771 244 R HA 0.462 4.807 4.340 0.009 0.000 0.274 244 R C -1.431 174.685 176.300 -0.306 0.000 0.987 244 R CA -0.866 55.138 56.100 -0.161 0.000 0.908 244 R CB 1.837 32.007 30.300 -0.217 0.000 1.213 244 R HN 0.296 nan 8.270 nan 0.000 0.468 245 F N 2.147 121.949 119.950 -0.247 0.000 2.515 245 F HA 0.163 4.694 4.527 0.007 0.000 0.353 245 F C 0.611 176.399 175.800 -0.021 0.000 1.213 245 F CA -0.034 57.773 58.000 -0.321 0.000 1.194 245 F CB 0.325 38.883 39.000 -0.736 0.000 1.488 245 F HN 0.212 nan 8.300 nan 0.000 0.619 246 E N 1.391 121.769 120.200 0.296 0.000 2.366 246 E HA 0.332 4.688 4.350 0.009 0.000 0.266 246 E C 0.262 177.083 176.600 0.368 0.000 1.051 246 E CA -0.254 56.299 56.400 0.254 0.000 0.884 246 E CB 1.094 30.919 29.700 0.209 0.000 1.006 246 E HN 0.480 nan 8.360 nan 0.000 0.417 247 T N -1.887 112.787 114.554 0.199 0.000 2.887 247 T HA 0.161 4.517 4.350 0.009 0.000 0.292 247 T C 0.971 175.707 174.700 0.060 0.000 1.087 247 T CA -0.904 61.266 62.100 0.116 0.000 1.009 247 T CB 1.767 70.714 68.868 0.131 0.000 1.203 247 T HN 0.598 nan 8.240 nan 0.000 0.518 248 E N 0.672 120.879 120.200 0.011 0.000 2.086 248 E HA -0.292 4.063 4.350 0.009 0.000 0.200 248 E C 1.848 178.477 176.600 0.049 0.000 1.012 248 E CA 2.216 58.626 56.400 0.016 0.000 0.812 248 E CB -0.037 29.658 29.700 -0.008 0.000 0.743 248 E HN 0.771 nan 8.360 nan 0.000 0.453 249 E N 0.062 120.298 120.200 0.061 0.000 2.106 249 E HA -0.177 4.178 4.350 0.009 0.000 0.192 249 E C 2.215 178.900 176.600 0.141 0.000 0.984 249 E CA 1.758 58.211 56.400 0.087 0.000 0.806 249 E CB -0.863 28.886 29.700 0.082 0.000 0.750 249 E HN 0.446 nan 8.360 nan 0.000 0.458 250 T N -0.621 114.027 114.554 0.158 0.000 2.777 250 T HA -0.055 4.300 4.350 0.009 0.000 0.266 250 T C 2.083 176.919 174.700 0.226 0.000 1.040 250 T CA 0.635 62.881 62.100 0.243 0.000 1.141 250 T CB -0.088 68.806 68.868 0.044 0.000 0.868 250 T HN -0.038 nan 8.240 nan 0.000 0.444 251 R N 1.369 121.951 120.500 0.137 0.000 2.073 251 R HA 0.058 4.403 4.340 0.009 0.000 0.234 251 R C 2.641 179.001 176.300 0.100 0.000 1.134 251 R CA 1.392 57.560 56.100 0.113 0.000 0.952 251 R CB -0.404 29.946 30.300 0.083 0.000 0.850 251 R HN 0.506 nan 8.270 nan 0.000 0.433 252 K N 0.416 120.867 120.400 0.085 0.000 2.032 252 K HA -0.176 4.150 4.320 0.009 0.000 0.209 252 K C 2.090 178.731 176.600 0.068 0.000 1.048 252 K CA 1.228 57.554 56.287 0.066 0.000 0.927 252 K CB -0.336 32.196 32.500 0.053 0.000 0.712 252 K HN -0.023 nan 8.250 nan 0.000 0.441 253 L N 1.988 123.261 121.223 0.084 0.000 2.017 253 L HA -0.193 4.153 4.340 0.009 0.000 0.208 253 L C 1.839 178.740 176.870 0.051 0.000 1.073 253 L CA 1.814 56.685 54.840 0.052 0.000 0.745 253 L CB -0.347 41.710 42.059 -0.003 0.000 0.894 253 L HN 0.173 nan 8.230 nan 0.000 0.432 254 E N -0.558 119.701 120.200 0.099 0.000 2.077 254 E HA -0.247 4.108 4.350 0.009 0.000 0.193 254 E C 2.145 178.790 176.600 0.075 0.000 0.989 254 E CA 1.784 58.248 56.400 0.106 0.000 0.800 254 E CB -0.372 29.420 29.700 0.153 0.000 0.746 254 E HN 0.738 nan 8.360 nan 0.000 0.452 255 I N -0.598 120.013 120.570 0.069 0.000 2.761 255 I HA -0.131 4.045 4.170 0.009 0.000 0.261 255 I C 2.248 178.392 176.117 0.044 0.000 1.198 255 I CA 1.280 62.613 61.300 0.055 0.000 1.482 255 I CB -0.087 37.944 38.000 0.053 0.000 1.100 255 I HN -0.059 nan 8.210 nan 0.000 0.445 256 S N 0.623 116.345 115.700 0.038 0.000 2.402 256 S HA 0.154 4.629 4.470 0.009 0.000 0.229 256 S C 1.372 175.980 174.600 0.014 0.000 1.021 256 S CA 0.445 58.657 58.200 0.021 0.000 0.974 256 S CB -1.228 61.976 63.200 0.007 0.000 0.800 256 S HN 0.637 nan 8.310 nan 0.000 0.484 257 G N 0.957 109.771 108.800 0.023 0.000 2.857 257 G HA2 0.707 4.673 3.960 0.009 0.000 0.217 257 G HA3 0.707 4.673 3.960 0.009 0.000 0.217 257 G C -0.532 174.391 174.900 0.038 0.000 1.357 257 G CA -0.761 44.352 45.100 0.023 0.000 1.033 257 G HN 0.619 nan 8.290 nan 0.000 0.571 258 M N -1.493 118.130 119.600 0.038 0.000 2.658 258 M HA 0.636 5.122 4.480 0.009 0.000 0.295 258 M C -3.064 173.251 176.300 0.026 0.000 1.248 258 M CA -2.009 53.304 55.300 0.022 0.000 0.843 258 M CB 2.553 35.156 32.600 0.004 0.000 1.749 258 M HN 0.077 nan 8.290 nan 0.000 0.464 259 P HA 0.100 nan 4.420 nan 0.000 0.271 259 P C 0.416 177.718 177.300 0.004 0.000 1.216 259 P CA -0.450 62.660 63.100 0.016 0.000 0.771 259 P CB 0.612 32.313 31.700 0.002 0.000 0.864 260 L N 4.506 125.754 121.223 0.041 0.000 2.089 260 L HA -0.139 4.206 4.340 0.009 0.000 0.213 260 L C 2.173 179.088 176.870 0.075 0.000 1.079 260 L CA 2.502 57.388 54.840 0.077 0.000 0.758 260 L CB -1.628 40.449 42.059 0.030 0.000 0.891 260 L HN 0.551 nan 8.230 nan 0.000 0.433 261 G N -1.756 107.047 108.800 0.006 0.000 2.498 261 G HA2 -0.222 3.744 3.960 0.009 0.000 0.219 261 G HA3 -0.222 3.744 3.960 0.009 0.000 0.219 261 G C 1.107 175.966 174.900 -0.068 0.000 1.119 261 G CA 0.749 45.840 45.100 -0.015 0.000 0.766 261 G HN 0.428 nan 8.290 nan 0.000 0.552 262 D N -0.133 120.193 120.400 -0.123 0.000 2.347 262 D HA 0.088 4.733 4.640 0.009 0.000 0.213 262 D C 2.288 178.317 176.300 -0.453 0.000 0.985 262 D CA 0.212 54.066 54.000 -0.244 0.000 0.879 262 D CB 0.331 40.981 40.800 -0.249 0.000 0.919 262 D HN 0.333 nan 8.370 nan 0.000 0.526 263 L N -1.419 119.580 121.223 -0.373 0.000 2.515 263 L HA 0.215 4.560 4.340 0.009 0.000 0.223 263 L C -0.135 176.319 176.870 -0.693 0.000 1.079 263 L CA 0.298 54.800 54.840 -0.563 0.000 0.857 263 L CB 0.461 42.261 42.059 -0.432 0.000 1.050 263 L HN -0.162 nan 8.230 nan 0.000 0.476 264 F N -1.368 118.440 119.950 -0.238 0.000 2.569 264 F HA 0.405 4.936 4.527 0.007 0.000 0.312 264 F C 0.189 175.844 175.800 -0.242 0.000 1.109 264 F CA -1.014 56.865 58.000 -0.202 0.000 0.919 264 F CB 1.181 40.121 39.000 -0.100 0.000 1.211 264 F HN -0.120 nan 8.300 nan 0.000 0.446 265 H N 3.913 123.052 119.070 0.114 0.000 2.764 265 H HA 0.372 4.935 4.556 0.010 0.000 0.341 265 H C -0.265 175.083 175.328 0.034 0.000 1.072 265 H CA 0.294 56.373 56.048 0.051 0.000 1.444 265 H CB 1.117 30.889 29.762 0.017 0.000 1.458 265 H HN 0.447 nan 8.280 nan 0.000 0.572 266 I N 4.563 125.200 120.570 0.112 0.000 2.362 266 I HA 0.270 4.446 4.170 0.009 0.000 0.289 266 I C 0.345 176.493 176.117 0.053 0.000 0.994 266 I CA -0.597 60.720 61.300 0.029 0.000 1.158 266 I CB 0.868 38.843 38.000 -0.042 0.000 1.315 266 I HN 0.270 nan 8.210 nan 0.000 0.451 267 R N 4.668 125.153 120.500 -0.025 0.000 2.873 267 R HA 0.562 4.908 4.340 0.009 0.000 0.264 267 R C -1.183 175.207 176.300 0.151 0.000 1.026 267 R CA -0.958 55.144 56.100 0.004 0.000 1.002 267 R CB 2.335 32.482 30.300 -0.256 0.000 1.174 267 R HN 0.377 nan 8.270 nan 0.000 0.488 268 F N 0.255 120.267 119.950 0.102 0.000 2.440 268 F HA 0.523 5.055 4.527 0.008 0.000 0.328 268 F C 0.379 176.335 175.800 0.259 0.000 1.070 268 F CA -0.471 57.593 58.000 0.108 0.000 1.011 268 F CB 1.487 40.470 39.000 -0.029 0.000 1.226 268 F HN 0.653 nan 8.300 nan 0.000 0.491 269 A N 2.805 125.636 122.820 0.018 0.000 2.520 269 A HA 0.462 4.787 4.320 0.009 0.000 0.235 269 A C 0.015 177.854 177.584 0.424 0.000 1.065 269 A CA -0.048 52.168 52.037 0.299 0.000 0.764 269 A CB -0.560 18.619 19.000 0.297 0.000 1.002 269 A HN 1.158 nan 8.150 nan 0.000 0.502 270 A N 2.490 125.572 122.820 0.437 0.000 2.586 270 A HA 0.378 4.703 4.320 0.009 0.000 0.231 270 A C 0.703 178.560 177.584 0.455 0.000 1.055 270 A CA 0.097 52.340 52.037 0.344 0.000 0.756 270 A CB -0.021 19.071 19.000 0.153 0.000 0.988 270 A HN 0.793 nan 8.150 nan 0.000 0.509 271 R N 1.593 122.289 120.500 0.327 0.000 2.543 271 R HA 0.295 4.640 4.340 0.009 0.000 0.268 271 R C 1.743 178.253 176.300 0.350 0.000 1.067 271 R CA 0.050 56.336 56.100 0.311 0.000 1.142 271 R CB 0.045 30.470 30.300 0.208 0.000 1.110 271 R HN 0.969 nan 8.270 nan 0.000 0.549 272 S N 0.715 116.577 115.700 0.269 0.000 2.374 272 S HA -0.119 4.356 4.470 0.009 0.000 0.227 272 S C -1.026 173.710 174.600 0.228 0.000 1.037 272 S CA 1.192 59.533 58.200 0.234 0.000 1.024 272 S CB -1.030 62.246 63.200 0.126 0.000 0.861 272 S HN 0.443 nan 8.310 nan 0.000 0.456 273 P HA 0.047 nan 4.420 nan 0.000 0.222 273 P C 1.275 178.648 177.300 0.121 0.000 1.153 273 P CA 1.035 64.212 63.100 0.129 0.000 0.798 273 P CB -0.144 31.614 31.700 0.097 0.000 0.796 274 E N -0.850 119.418 120.200 0.113 0.000 2.058 274 E HA -0.188 4.167 4.350 0.009 0.000 0.194 274 E C 1.760 178.347 176.600 -0.020 0.000 0.997 274 E CA 1.187 57.599 56.400 0.021 0.000 0.801 274 E CB -0.689 28.985 29.700 -0.043 0.000 0.746 274 E HN 0.272 nan 8.360 nan 0.000 0.450 275 F N 1.353 121.341 119.950 0.064 0.000 2.146 275 F HA -0.104 4.428 4.527 0.009 0.000 0.298 275 F C 2.283 178.128 175.800 0.074 0.000 1.096 275 F CA 1.143 59.170 58.000 0.044 0.000 1.275 275 F CB -0.077 38.920 39.000 -0.006 0.000 1.008 275 F HN -0.154 nan 8.300 nan 0.000 0.480 276 K N 0.491 121.034 120.400 0.238 0.000 2.283 276 K HA -0.159 4.166 4.320 0.009 0.000 0.202 276 K C 1.696 178.370 176.600 0.123 0.000 1.048 276 K CA 1.358 57.742 56.287 0.161 0.000 0.948 276 K CB -0.174 32.400 32.500 0.124 0.000 0.742 276 K HN 0.340 nan 8.250 nan 0.000 0.458 277 K N -0.137 120.328 120.400 0.108 0.000 2.404 277 K HA -0.003 4.322 4.320 0.009 0.000 0.194 277 K C 0.188 176.822 176.600 0.056 0.000 1.023 277 K CA 0.026 56.353 56.287 0.067 0.000 1.094 277 K CB -0.045 32.480 32.500 0.041 0.000 0.841 277 K HN 0.065 nan 8.250 nan 0.000 0.523 278 H N 2.459 121.531 119.070 0.003 0.000 2.683 278 H HA 0.103 4.664 4.556 0.009 0.000 0.339 278 H C -1.523 173.811 175.328 0.010 0.000 1.081 278 H CA -1.534 54.503 56.048 -0.018 0.000 1.432 278 H CB 1.292 31.021 29.762 -0.056 0.000 1.462 278 H HN -0.079 nan 8.280 nan 0.000 0.557 279 P HA -0.117 nan 4.420 nan 0.000 0.222 279 P C 0.510 177.847 177.300 0.061 0.000 1.147 279 P CA 1.366 64.403 63.100 -0.105 0.000 0.790 279 P CB 0.231 31.822 31.700 -0.182 0.000 0.780 280 A N -0.518 122.470 122.820 0.279 0.000 2.238 280 A HA 0.209 4.535 4.320 0.009 0.000 0.210 280 A C 1.012 178.723 177.584 0.212 0.000 1.179 280 A CA 0.035 52.222 52.037 0.250 0.000 0.827 280 A CB -0.304 18.860 19.000 0.273 0.000 0.856 280 A HN 0.033 nan 8.150 nan 0.000 0.488 281 V N 2.032 122.098 119.914 0.253 0.000 2.583 281 V HA 0.341 4.467 4.120 0.009 0.000 0.287 281 V C 0.124 176.314 176.094 0.161 0.000 1.051 281 V CA -0.275 62.142 62.300 0.195 0.000 1.010 281 V CB 0.861 32.823 31.823 0.232 0.000 0.988 281 V HN 0.445 nan 8.190 nan 0.000 0.478 282 R N 3.083 123.689 120.500 0.176 0.000 2.854 282 R HA 0.484 4.829 4.340 0.009 0.000 0.271 282 R C -0.039 176.409 176.300 0.246 0.000 0.994 282 R CA -0.845 55.350 56.100 0.159 0.000 0.945 282 R CB 1.571 31.932 30.300 0.102 0.000 1.194 282 R HN 0.539 nan 8.270 nan 0.000 0.476 283 K N 0.559 121.072 120.400 0.189 0.000 2.410 283 K HA 0.131 4.457 4.320 0.009 0.000 0.200 283 K C -0.248 176.486 176.600 0.222 0.000 1.023 283 K CA 0.256 56.697 56.287 0.256 0.000 1.149 283 K CB 0.497 33.084 32.500 0.145 0.000 0.859 283 K HN 0.340 nan 8.250 nan 0.000 0.514 284 E N 0.601 120.778 120.200 -0.038 0.000 2.356 284 E HA 0.254 4.609 4.350 0.009 0.000 0.275 284 E C -2.796 173.134 176.600 -1.115 0.000 0.904 284 E CA -2.559 53.494 56.400 -0.579 0.000 0.757 284 E CB 2.013 31.533 29.700 -0.300 0.000 1.232 284 E HN -0.222 nan 8.360 nan 0.000 0.442 285 P HA 0.422 nan 4.420 nan 0.000 0.274 285 P C -0.472 176.478 177.300 -0.584 0.000 1.246 285 P CA -0.204 62.045 63.100 -1.418 0.000 0.795 285 P CB 1.102 32.197 31.700 -1.009 0.000 1.006 286 G N 0.174 108.766 108.800 -0.346 0.000 2.550 286 G HA2 0.485 4.451 3.960 0.009 0.000 0.293 286 G HA3 0.485 4.451 3.960 0.009 0.000 0.293 286 G C -3.217 171.621 174.900 -0.103 0.000 1.402 286 G CA -0.960 44.029 45.100 -0.185 0.000 0.784 286 G HN 0.355 nan 8.290 nan 0.000 0.482 287 P HA 0.332 nan 4.420 nan 0.000 0.267 287 P C 0.955 178.238 177.300 -0.029 0.000 1.205 287 P CA 1.408 64.484 63.100 -0.041 0.000 0.765 287 P CB 1.045 32.725 31.700 -0.034 0.000 0.828 288 G N 1.984 110.773 108.800 -0.020 0.000 2.162 288 G HA2 -0.216 3.750 3.960 0.009 0.000 0.260 288 G HA3 -0.216 3.750 3.960 0.009 0.000 0.260 288 G C -0.143 174.747 174.900 -0.017 0.000 0.976 288 G CA -0.058 45.032 45.100 -0.017 0.000 0.655 288 G HN 0.491 nan 8.290 nan 0.000 0.533 289 L N -0.332 120.889 121.223 -0.003 0.000 2.331 289 L HA 0.845 5.191 4.340 0.009 0.000 0.275 289 L C 0.163 177.083 176.870 0.083 0.000 1.022 289 L CA -1.284 53.580 54.840 0.039 0.000 0.812 289 L CB 2.050 44.151 42.059 0.071 0.000 1.257 289 L HN -0.049 nan 8.230 nan 0.000 0.435 290 V N 2.251 122.195 119.914 0.051 0.000 2.823 290 V HA 0.474 4.599 4.120 0.009 0.000 0.312 290 V C -2.228 173.840 176.094 -0.043 0.000 1.072 290 V CA -1.891 60.377 62.300 -0.054 0.000 0.937 290 V CB 3.016 34.541 31.823 -0.496 0.000 1.013 290 V HN 0.577 nan 8.190 nan 0.000 0.430 291 P HA 0.113 nan 4.420 nan 0.000 0.268 291 P C -0.610 176.439 177.300 -0.419 0.000 1.205 291 P CA 0.109 62.901 63.100 -0.515 0.000 0.771 291 P CB 0.493 31.961 31.700 -0.386 0.000 0.858 292 V N 4.765 124.342 119.914 -0.562 0.000 2.427 292 V HA 0.071 4.197 4.120 0.009 0.000 0.268 292 V C 0.836 176.614 176.094 -0.527 0.000 1.046 292 V CA -0.105 61.855 62.300 -0.567 0.000 0.970 292 V CB -0.239 31.142 31.823 -0.736 0.000 1.001 292 V HN 0.345 nan 8.190 nan 0.000 0.476 293 L N 5.488 126.383 121.223 -0.546 0.000 2.395 293 L HA 0.525 4.871 4.340 0.009 0.000 0.269 293 L C 0.856 177.544 176.870 -0.303 0.000 1.133 293 L CA -0.006 54.481 54.840 -0.588 0.000 0.812 293 L CB 1.360 42.641 42.059 -1.296 0.000 1.125 293 L HN 0.830 nan 8.230 nan 0.000 0.452 294 T N -2.023 112.435 114.554 -0.160 0.000 2.762 294 T HA 0.368 4.724 4.350 0.009 0.000 0.272 294 T C 1.073 175.835 174.700 0.103 0.000 0.982 294 T CA -0.088 62.022 62.100 0.017 0.000 1.013 294 T CB 1.270 70.121 68.868 -0.028 0.000 1.309 294 T HN 0.591 nan 8.240 nan 0.000 0.572 295 G N -0.316 108.524 108.800 0.068 0.000 2.448 295 G HA2 -0.124 3.842 3.960 0.009 0.000 0.219 295 G HA3 -0.124 3.842 3.960 0.009 0.000 0.219 295 G C 1.522 176.371 174.900 -0.085 0.000 1.127 295 G CA 0.175 45.292 45.100 0.029 0.000 0.766 295 G HN 0.744 nan 8.290 nan 0.000 0.552 296 R N -0.033 120.343 120.500 -0.208 0.000 2.237 296 R HA -0.013 4.332 4.340 0.009 0.000 0.219 296 R C 1.891 177.994 176.300 -0.328 0.000 1.080 296 R CA 1.124 56.978 56.100 -0.411 0.000 0.995 296 R CB -0.172 29.559 30.300 -0.949 0.000 0.875 296 R HN 0.389 nan 8.270 nan 0.000 0.462 297 N N -0.029 118.556 118.700 -0.192 0.000 2.446 297 N HA -0.032 4.714 4.740 0.009 0.000 0.179 297 N C -0.225 175.128 175.510 -0.262 0.000 1.054 297 N CA 0.132 53.050 53.050 -0.221 0.000 0.905 297 N CB 0.267 38.554 38.487 -0.333 0.000 0.973 297 N HN -0.011 nan 8.380 nan 0.000 0.448 298 L N 1.405 122.559 121.223 -0.115 0.000 2.276 298 L HA 0.312 4.658 4.340 0.009 0.000 0.286 298 L C -0.509 176.160 176.870 -0.335 0.000 1.061 298 L CA -0.052 54.716 54.840 -0.120 0.000 0.807 298 L CB 0.458 42.511 42.059 -0.010 0.000 1.177 298 L HN -0.111 nan 8.230 nan 0.000 0.429 299 K N 4.817 124.896 120.400 -0.535 0.000 2.352 299 K HA 0.585 4.910 4.320 0.009 0.000 0.240 299 K C -2.666 173.706 176.600 -0.379 0.000 1.017 299 K CA -2.014 53.885 56.287 -0.646 0.000 0.851 299 K CB 1.216 32.825 32.500 -1.484 0.000 1.261 299 K HN 0.272 nan 8.250 nan 0.000 0.451 300 P HA 0.112 nan 4.420 nan 0.000 0.273 300 P C 0.408 177.762 177.300 0.090 0.000 1.319 300 P CA 0.449 63.526 63.100 -0.038 0.000 0.885 300 P CB -0.007 31.698 31.700 0.008 0.000 1.015 301 G N 2.000 110.846 108.800 0.076 0.000 2.159 301 G HA2 -0.158 3.807 3.960 0.009 0.000 0.256 301 G HA3 -0.158 3.807 3.960 0.009 0.000 0.256 301 G C -0.354 174.737 174.900 0.319 0.000 0.977 301 G CA -0.069 45.140 45.100 0.181 0.000 0.652 301 G HN 0.596 nan 8.290 nan 0.000 0.531 302 W N -1.216 120.099 121.300 0.025 0.000 3.074 302 W HA 0.693 5.358 4.660 0.008 0.000 0.332 302 W C -1.274 175.220 176.519 -0.041 0.000 1.253 302 W CA -1.200 56.156 57.345 0.018 0.000 1.180 302 W CB 0.852 30.323 29.460 0.019 0.000 1.445 302 W HN 0.426 nan 8.180 nan 0.000 0.573 303 V N 2.119 122.043 119.914 0.016 0.000 2.495 303 V HA 0.136 4.261 4.120 0.009 0.000 0.298 303 V C -0.544 175.299 176.094 -0.418 0.000 1.031 303 V CA -0.259 61.790 62.300 -0.418 0.000 0.871 303 V CB 1.463 32.876 31.823 -0.685 0.000 0.988 303 V HN 0.491 nan 8.190 nan 0.000 0.432 304 D N 2.990 123.102 120.400 -0.480 0.000 2.352 304 D HA 0.186 4.832 4.640 0.009 0.000 0.245 304 D C 0.141 176.235 176.300 -0.342 0.000 1.224 304 D CA 0.035 53.935 54.000 -0.167 0.000 0.879 304 D CB 0.618 41.355 40.800 -0.105 0.000 1.057 304 D HN 0.494 nan 8.370 nan 0.000 0.491 305 Y N 1.969 122.206 120.300 -0.105 0.000 2.490 305 Y HA 0.108 4.663 4.550 0.009 0.000 0.281 305 Y C 1.787 177.653 175.900 -0.057 0.000 1.174 305 Y CA -0.025 57.927 58.100 -0.248 0.000 1.295 305 Y CB 0.320 38.521 38.460 -0.430 0.000 1.062 305 Y HN 0.400 nan 8.280 nan 0.000 0.522 306 E N 0.624 120.884 120.200 0.099 0.000 2.057 306 E HA 0.029 4.384 4.350 0.009 0.000 0.191 306 E C 0.360 176.979 176.600 0.033 0.000 0.959 306 E CA 0.307 56.766 56.400 0.099 0.000 0.828 306 E CB -0.136 29.625 29.700 0.101 0.000 0.800 306 E HN 0.231 nan 8.360 nan 0.000 0.460 307 K N 2.477 122.857 120.400 -0.033 0.000 2.368 307 K HA 0.089 4.414 4.320 0.009 0.000 0.282 307 K C 0.294 176.686 176.600 -0.346 0.000 1.035 307 K CA -0.122 56.060 56.287 -0.176 0.000 0.973 307 K CB 0.431 32.807 32.500 -0.208 0.000 0.957 307 K HN -0.003 nan 8.250 nan 0.000 0.474 308 N N 2.710 121.187 118.700 -0.371 0.000 2.422 308 N HA 0.052 4.798 4.740 0.009 0.000 0.266 308 N C -0.121 175.056 175.510 -0.555 0.000 1.007 308 N CA -0.111 52.652 53.050 -0.478 0.000 0.941 308 N CB 0.638 38.792 38.487 -0.555 0.000 1.115 308 N HN 0.585 nan 8.380 nan 0.000 0.492 309 H N 0.966 119.891 119.070 -0.242 0.000 2.827 309 H HA 0.068 4.630 4.556 0.010 0.000 0.269 309 H C 1.316 176.534 175.328 -0.184 0.000 1.031 309 H CA 0.350 56.297 56.048 -0.169 0.000 1.202 309 H CB 0.667 30.347 29.762 -0.137 0.000 1.511 309 H HN 0.635 nan 8.280 nan 0.000 0.517 310 S N -0.600 114.980 115.700 -0.201 0.000 2.486 310 S HA 0.148 4.624 4.470 0.009 0.000 0.220 310 S C 1.870 176.349 174.600 -0.201 0.000 1.011 310 S CA 0.639 58.713 58.200 -0.211 0.000 0.921 310 S CB 0.336 63.345 63.200 -0.318 0.000 0.785 310 S HN 0.458 nan 8.310 nan 0.000 0.517 311 G N 0.890 109.523 108.800 -0.279 0.000 2.162 311 G HA2 -0.215 3.751 3.960 0.009 0.000 0.260 311 G HA3 -0.215 3.751 3.960 0.009 0.000 0.260 311 G C -0.158 174.686 174.900 -0.093 0.000 0.976 311 G CA 0.563 45.591 45.100 -0.119 0.000 0.655 311 G HN 0.568 nan 8.290 nan 0.000 0.533 312 L N -0.667 120.324 121.223 -0.388 0.000 2.381 312 L HA 0.744 5.089 4.340 0.009 0.000 0.268 312 L C -0.102 176.531 176.870 -0.395 0.000 0.997 312 L CA -1.207 53.523 54.840 -0.184 0.000 0.818 312 L CB 1.581 43.539 42.059 -0.168 0.000 1.310 312 L HN 0.121 nan 8.230 nan 0.000 0.416 313 W N 4.565 125.823 121.300 -0.069 0.000 2.950 313 W HA 0.733 5.399 4.660 0.010 0.000 0.340 313 W C -0.353 176.130 176.519 -0.061 0.000 1.139 313 W CA -0.681 56.615 57.345 -0.081 0.000 1.188 313 W CB 2.377 31.800 29.460 -0.062 0.000 1.426 313 W HN 0.447 nan 8.180 nan 0.000 0.531 314 M N 1.176 120.845 119.600 0.115 0.000 2.682 314 M HA 0.488 4.973 4.480 0.009 0.000 0.272 314 M C -3.058 173.234 176.300 -0.014 0.000 1.232 314 M CA -2.070 53.261 55.300 0.052 0.000 0.849 314 M CB 2.310 34.919 32.600 0.014 0.000 1.695 314 M HN -0.141 nan 8.290 nan 0.000 0.481 315 P HA 0.113 nan 4.420 nan 0.000 0.266 315 P C -0.202 177.041 177.300 -0.095 0.000 1.215 315 P CA 0.126 63.199 63.100 -0.044 0.000 0.763 315 P CB 0.726 32.420 31.700 -0.010 0.000 0.806 316 K N 4.578 124.887 120.400 -0.152 0.000 2.074 316 K HA -0.230 4.095 4.320 0.009 0.000 0.209 316 K C 1.600 178.141 176.600 -0.099 0.000 1.048 316 K CA 1.608 57.774 56.287 -0.202 0.000 0.926 316 K CB 0.004 32.337 32.500 -0.278 0.000 0.713 316 K HN 0.491 nan 8.250 nan 0.000 0.444 317 E N 0.543 120.709 120.200 -0.057 0.000 2.409 317 E HA -0.200 4.156 4.350 0.009 0.000 0.198 317 E C 1.163 177.758 176.600 -0.009 0.000 1.024 317 E CA 1.007 57.398 56.400 -0.016 0.000 0.861 317 E CB -0.070 29.629 29.700 -0.003 0.000 0.788 317 E HN 0.378 nan 8.360 nan 0.000 0.521 318 R N 0.051 120.533 120.500 -0.030 0.000 2.334 318 R HA 0.303 4.648 4.340 0.009 0.000 0.216 318 R C 2.100 178.341 176.300 -0.098 0.000 0.905 318 R CA 0.524 56.608 56.100 -0.025 0.000 1.064 318 R CB 0.178 30.490 30.300 0.020 0.000 1.046 318 R HN 0.194 nan 8.270 nan 0.000 0.508 319 A N 2.725 125.483 122.820 -0.103 0.000 1.978 319 A HA -0.231 4.094 4.320 0.009 0.000 0.220 319 A C 2.018 179.614 177.584 0.021 0.000 1.170 319 A CA 1.574 53.535 52.037 -0.126 0.000 0.636 319 A CB -0.313 18.587 19.000 -0.167 0.000 0.810 319 A HN 0.355 nan 8.150 nan 0.000 0.448 320 K N 0.030 120.459 120.400 0.048 0.000 2.360 320 K HA -0.153 4.173 4.320 0.009 0.000 0.201 320 K C 1.285 177.871 176.600 -0.023 0.000 1.046 320 K CA 1.577 57.881 56.287 0.029 0.000 0.945 320 K CB -0.308 32.207 32.500 0.025 0.000 0.750 320 K HN 0.586 nan 8.250 nan 0.000 0.464 321 E N 1.017 121.210 120.200 -0.012 0.000 2.150 321 E HA -0.119 4.237 4.350 0.009 0.000 0.193 321 E C 1.899 178.478 176.600 -0.035 0.000 0.985 321 E CA 1.040 57.445 56.400 0.008 0.000 0.814 321 E CB -0.124 29.651 29.700 0.125 0.000 0.752 321 E HN 0.323 nan 8.360 nan 0.000 0.466 322 L N -0.168 120.997 121.223 -0.096 0.000 2.102 322 L HA 0.013 4.359 4.340 0.009 0.000 0.202 322 L C 0.894 177.656 176.870 -0.179 0.000 1.076 322 L CA 0.770 55.517 54.840 -0.155 0.000 0.761 322 L CB 0.178 42.024 42.059 -0.354 0.000 0.921 322 L HN -0.104 nan 8.230 nan 0.000 0.444 323 R N -0.346 119.990 120.500 -0.273 0.000 2.604 323 R HA 0.176 4.522 4.340 0.009 0.000 0.281 323 R C -0.352 175.560 176.300 -0.646 0.000 1.020 323 R CA -0.576 55.108 56.100 -0.694 0.000 0.899 323 R CB 1.475 30.782 30.300 -1.654 0.000 1.205 323 R HN -0.121 nan 8.270 nan 0.000 0.450 324 D N 1.555 121.702 120.400 -0.421 0.000 2.178 324 D HA -0.138 4.508 4.640 0.009 0.000 0.201 324 D C 1.574 177.750 176.300 -0.207 0.000 0.980 324 D CA 1.389 55.262 54.000 -0.212 0.000 0.842 324 D CB -0.008 40.738 40.800 -0.090 0.000 0.948 324 D HN 0.533 nan 8.370 nan 0.000 0.472 325 F N -0.976 118.821 119.950 -0.256 0.000 2.604 325 F HA -0.024 4.509 4.527 0.011 0.000 0.298 325 F C 1.572 177.202 175.800 -0.283 0.000 1.131 325 F CA 0.176 57.986 58.000 -0.317 0.000 1.457 325 F CB -1.128 37.605 39.000 -0.446 0.000 1.095 325 F HN -0.129 nan 8.300 nan 0.000 0.574 326 Y N 1.274 121.419 120.300 -0.258 0.000 2.574 326 Y HA 0.120 4.676 4.550 0.009 0.000 0.294 326 Y C 2.507 178.469 175.900 0.103 0.000 1.142 326 Y CA 0.038 58.144 58.100 0.010 0.000 1.314 326 Y CB -1.158 37.258 38.460 -0.073 0.000 0.991 326 Y HN 0.283 nan 8.280 nan 0.000 0.555 327 A N -0.379 122.547 122.820 0.177 0.000 2.014 327 A HA -0.010 4.315 4.320 0.009 0.000 0.218 327 A C 1.309 179.000 177.584 0.178 0.000 1.163 327 A CA 1.458 53.584 52.037 0.148 0.000 0.652 327 A CB -0.740 18.313 19.000 0.089 0.000 0.808 327 A HN 0.319 nan 8.150 nan 0.000 0.449 328 T N -3.676 111.010 114.554 0.220 0.000 2.907 328 T HA 0.598 4.954 4.350 0.009 0.000 0.292 328 T C -3.356 171.504 174.700 0.266 0.000 1.043 328 T CA -2.414 59.818 62.100 0.220 0.000 1.003 328 T CB 1.847 70.831 68.868 0.193 0.000 1.084 328 T HN -0.121 nan 8.240 nan 0.000 0.483 329 P HA 0.185 nan 4.420 nan 0.000 0.265 329 P C -0.401 176.611 177.300 -0.479 0.000 1.187 329 P CA 0.320 63.312 63.100 -0.179 0.000 0.766 329 P CB 0.090 31.783 31.700 -0.012 0.000 0.820 330 H N 0.662 119.105 119.070 -1.044 0.000 2.967 330 H HA 0.372 4.933 4.556 0.009 0.000 0.318 330 H C -1.558 173.306 175.328 -0.774 0.000 1.375 330 H CA -1.155 54.352 56.048 -0.902 0.000 1.132 330 H CB 0.286 29.919 29.762 -0.216 0.000 1.848 330 H HN 0.196 nan 8.280 nan 0.000 0.524 331 L N 1.660 122.764 121.223 -0.198 0.000 2.367 331 L HA 0.393 4.739 4.340 0.009 0.000 0.275 331 L C -0.846 175.881 176.870 -0.238 0.000 1.129 331 L CA -0.137 54.653 54.840 -0.083 0.000 0.839 331 L CB 0.647 42.714 42.059 0.013 0.000 1.133 331 L HN 0.454 nan 8.230 nan 0.000 0.453 332 V N 5.837 125.523 119.914 -0.381 0.000 2.487 332 V HA 0.575 4.700 4.120 0.009 0.000 0.298 332 V C -0.440 175.391 176.094 -0.438 0.000 1.028 332 V CA -0.689 61.230 62.300 -0.634 0.000 0.860 332 V CB 1.784 32.991 31.823 -1.027 0.000 0.991 332 V HN 0.546 nan 8.190 nan 0.000 0.427 333 V N 3.153 122.848 119.914 -0.366 0.000 2.604 333 V HA 0.765 4.890 4.120 0.009 0.000 0.305 333 V C 0.461 176.524 176.094 -0.052 0.000 1.043 333 V CA -0.758 61.444 62.300 -0.164 0.000 0.888 333 V CB 1.984 33.747 31.823 -0.101 0.000 0.995 333 V HN 1.023 nan 8.190 nan 0.000 0.429 334 A N 1.525 124.330 122.820 -0.026 0.000 2.425 334 A HA 0.384 4.709 4.320 0.009 0.000 0.249 334 A C 0.587 178.307 177.584 0.227 0.000 1.084 334 A CA 0.225 52.275 52.037 0.021 0.000 0.781 334 A CB -0.056 18.931 19.000 -0.021 0.000 1.019 334 A HN 1.086 nan 8.150 nan 0.000 0.490 335 H N 1.033 120.139 119.070 0.059 0.000 2.604 335 H HA 0.180 4.741 4.556 0.009 0.000 0.273 335 H C 0.230 175.725 175.328 0.278 0.000 0.971 335 H CA 1.698 57.849 56.048 0.172 0.000 1.249 335 H CB 0.686 30.435 29.762 -0.021 0.000 1.449 335 H HN 0.474 nan 8.280 nan 0.000 0.512 336 T N 0.904 115.507 114.554 0.080 0.000 3.630 336 T HA 0.276 4.632 4.350 0.009 0.000 0.238 336 T C 0.142 174.797 174.700 -0.074 0.000 1.195 336 T CA -0.441 61.643 62.100 -0.027 0.000 1.433 336 T CB 0.131 69.013 68.868 0.024 0.000 0.940 336 T HN 0.204 nan 8.240 nan 0.000 0.641 337 K N 1.340 121.702 120.400 -0.064 0.000 2.564 337 K HA 0.484 4.809 4.320 0.009 0.000 0.205 337 K C 1.092 177.643 176.600 -0.082 0.000 1.053 337 K CA -0.421 55.822 56.287 -0.074 0.000 1.072 337 K CB 1.192 33.657 32.500 -0.059 0.000 0.822 337 K HN 0.556 nan 8.250 nan 0.000 0.497 338 G N 0.943 109.676 108.800 -0.112 0.000 2.632 338 G HA2 -0.254 3.711 3.960 0.009 0.000 0.224 338 G HA3 -0.254 3.711 3.960 0.009 0.000 0.224 338 G C -0.248 174.614 174.900 -0.065 0.000 1.341 338 G CA -0.670 44.366 45.100 -0.106 0.000 0.880 338 G HN 0.083 nan 8.290 nan 0.000 0.566 339 T N 2.246 116.763 114.554 -0.060 0.000 3.781 339 T HA 0.555 4.911 4.350 0.009 0.000 0.286 339 T C 0.595 175.272 174.700 -0.039 0.000 1.277 339 T CA 0.588 62.662 62.100 -0.044 0.000 1.136 339 T CB -0.367 68.465 68.868 -0.060 0.000 1.202 339 T HN 0.643 nan 8.240 nan 0.000 0.884 340 R N 0.594 121.075 120.500 -0.031 0.000 2.739 340 R HA 0.624 4.969 4.340 0.009 0.000 0.271 340 R C -1.525 174.754 176.300 -0.036 0.000 1.010 340 R CA -0.941 55.135 56.100 -0.039 0.000 0.897 340 R CB 2.065 32.337 30.300 -0.045 0.000 1.236 340 R HN 0.159 nan 8.270 nan 0.000 0.466 341 V N 2.355 122.233 119.914 -0.059 0.000 2.313 341 V HA 0.373 4.499 4.120 0.009 0.000 0.278 341 V C -0.688 175.356 176.094 -0.083 0.000 1.017 341 V CA -0.682 61.573 62.300 -0.075 0.000 0.823 341 V CB 1.537 33.290 31.823 -0.117 0.000 1.010 341 V HN 0.410 nan 8.190 nan 0.000 0.443 342 V N 4.489 124.361 119.914 -0.071 0.000 2.376 342 V HA 0.858 4.984 4.120 0.009 0.000 0.287 342 V C 0.247 176.282 176.094 -0.098 0.000 1.015 342 V CA -0.294 61.957 62.300 -0.081 0.000 0.834 342 V CB 1.539 33.312 31.823 -0.083 0.000 1.001 342 V HN 0.947 nan 8.190 nan 0.000 0.428 343 A N 4.140 126.905 122.820 -0.092 0.000 2.401 343 A HA 1.053 5.378 4.320 0.009 0.000 0.310 343 A C -0.427 177.123 177.584 -0.058 0.000 1.075 343 A CA -0.207 51.772 52.037 -0.097 0.000 0.746 343 A CB 2.045 20.993 19.000 -0.087 0.000 1.277 343 A HN 1.478 nan 8.150 nan 0.000 0.425 344 A N 0.891 123.673 122.820 -0.063 0.000 2.572 344 A HA 0.651 4.976 4.320 0.009 0.000 0.295 344 A C -1.365 176.272 177.584 0.089 0.000 1.072 344 A CA -0.351 51.706 52.037 0.032 0.000 0.691 344 A CB 0.911 19.913 19.000 0.003 0.000 1.291 344 A HN 1.305 nan 8.150 nan 0.000 0.404 345 W N 2.702 124.002 121.300 0.000 0.000 2.358 345 W HA 0.361 5.027 4.660 0.009 0.000 0.307 345 W C -1.119 175.446 176.519 0.076 0.000 1.203 345 W CA 0.135 57.492 57.345 0.021 0.000 1.279 345 W CB 1.181 30.681 29.460 0.065 0.000 1.264 345 W HN 0.788 nan 8.180 nan 0.000 0.474 346 D N 4.886 125.078 120.400 -0.347 0.000 2.453 346 D HA -0.056 4.590 4.640 0.009 0.000 0.223 346 D C 1.402 177.598 176.300 -0.173 0.000 1.183 346 D CA 0.134 54.090 54.000 -0.073 0.000 0.933 346 D CB 0.565 41.405 40.800 0.066 0.000 1.038 346 D HN 0.610 nan 8.370 nan 0.000 0.513 347 E N 3.181 123.447 120.200 0.111 0.000 2.274 347 E HA -0.132 4.224 4.350 0.009 0.000 0.194 347 E C 1.059 177.743 176.600 0.139 0.000 0.996 347 E CA 0.368 56.885 56.400 0.194 0.000 0.840 347 E CB 0.090 30.017 29.700 0.377 0.000 0.772 347 E HN 0.370 nan 8.360 nan 0.000 0.491 348 R N 0.517 121.076 120.500 0.099 0.000 2.240 348 R HA 0.196 4.541 4.340 0.009 0.000 0.203 348 R C 0.661 177.101 176.300 0.234 0.000 1.011 348 R CA 0.562 56.701 56.100 0.066 0.000 1.007 348 R CB 0.031 30.175 30.300 -0.260 0.000 0.911 348 R HN 0.226 nan 8.270 nan 0.000 0.468 349 A N 1.051 124.035 122.820 0.274 0.000 2.475 349 A HA -0.229 4.097 4.320 0.009 0.000 0.295 349 A C -0.608 177.226 177.584 0.417 0.000 1.457 349 A CA 0.493 52.741 52.037 0.352 0.000 0.734 349 A CB -2.061 17.105 19.000 0.276 0.000 1.118 349 A HN 0.323 nan 8.150 nan 0.000 0.400 350 Y N 0.381 120.815 120.300 0.222 0.000 2.298 350 Y HA 0.506 5.062 4.550 0.009 0.000 0.329 350 Y C -1.546 174.328 175.900 -0.043 0.000 1.293 350 Y CA -1.532 56.588 58.100 0.033 0.000 1.388 350 Y CB 0.558 38.978 38.460 -0.068 0.000 1.309 350 Y HN 0.393 nan 8.280 nan 0.000 0.544 351 P HA 0.018 nan 4.420 nan 0.000 0.276 351 P C -1.377 175.677 177.300 -0.411 0.000 1.230 351 P CA -0.061 62.788 63.100 -0.418 0.000 0.776 351 P CB 0.415 31.931 31.700 -0.306 0.000 0.888 352 W N 2.501 123.578 121.300 -0.371 0.000 2.702 352 W HA 0.480 5.146 4.660 0.011 0.000 0.331 352 W C 1.456 177.931 176.519 -0.074 0.000 1.049 352 W CA -0.524 56.779 57.345 -0.070 0.000 1.230 352 W CB 2.035 31.693 29.460 0.329 0.000 1.408 352 W HN 0.328 nan 8.180 nan 0.000 0.492 353 R N 0.759 121.270 120.500 0.017 0.000 2.334 353 R HA 0.129 4.475 4.340 0.009 0.000 0.212 353 R C -0.229 176.199 176.300 0.214 0.000 0.897 353 R CA 0.745 56.853 56.100 0.013 0.000 1.056 353 R CB 0.476 30.607 30.300 -0.281 0.000 1.046 353 R HN 0.404 nan 8.270 nan 0.000 0.513 354 E N 0.473 120.827 120.200 0.256 0.000 2.456 354 E HA 0.295 4.651 4.350 0.009 0.000 0.276 354 E C -0.715 175.804 176.600 -0.135 0.000 0.981 354 E CA -0.663 55.811 56.400 0.123 0.000 0.814 354 E CB 1.482 31.273 29.700 0.153 0.000 1.382 354 E HN 0.052 nan 8.360 nan 0.000 0.459 355 E N -0.658 119.148 120.200 -0.658 0.000 8.611 355 E HA -0.158 4.198 4.350 0.009 0.000 0.530 355 E C -0.968 174.798 176.600 -1.389 0.000 1.374 355 E CA 0.249 56.112 56.400 -0.895 0.000 2.535 355 E CB -1.029 28.307 29.700 -0.607 0.000 0.980 355 E HN 0.334 nan 8.360 nan 0.000 0.262 356 F N 0.959 120.470 119.950 -0.732 0.000 2.384 356 F HA 0.334 4.868 4.527 0.011 0.000 0.338 356 F C 1.193 176.521 175.800 -0.786 0.000 1.103 356 F CA 0.217 57.892 58.000 -0.542 0.000 1.157 356 F CB 0.712 39.553 39.000 -0.264 0.000 1.167 356 F HN 0.145 nan 8.300 nan 0.000 0.529 357 H N 3.998 122.930 119.070 -0.231 0.000 2.823 357 H HA 0.399 4.961 4.556 0.010 0.000 0.332 357 H C -1.302 173.809 175.328 -0.361 0.000 0.980 357 H CA -0.739 55.100 56.048 -0.349 0.000 1.286 357 H CB 1.851 31.218 29.762 -0.659 0.000 1.541 357 H HN 0.334 nan 8.280 nan 0.000 0.521 358 L N 4.457 125.605 121.223 -0.124 0.000 2.287 358 L HA 0.244 4.590 4.340 0.009 0.000 0.287 358 L C -0.579 176.381 176.870 0.150 0.000 1.022 358 L CA -0.351 54.445 54.840 -0.073 0.000 0.814 358 L CB 1.334 43.189 42.059 -0.340 0.000 1.217 358 L HN 0.381 nan 8.230 nan 0.000 0.420 359 L N 5.883 127.256 121.223 0.250 0.000 2.325 359 L HA 0.527 4.873 4.340 0.009 0.000 0.281 359 L C -2.177 174.881 176.870 0.314 0.000 1.004 359 L CA -1.817 53.192 54.840 0.282 0.000 0.823 359 L CB 1.773 43.913 42.059 0.135 0.000 1.236 359 L HN 0.325 nan 8.230 nan 0.000 0.415 360 P HA 0.092 nan 4.420 nan 0.000 0.268 360 P C -0.301 176.909 177.300 -0.151 0.000 1.204 360 P CA -0.160 62.781 63.100 -0.265 0.000 0.768 360 P CB 0.918 32.522 31.700 -0.161 0.000 0.842 361 K N 1.540 121.739 120.400 -0.336 0.000 2.180 361 K HA 0.075 4.400 4.320 0.009 0.000 0.251 361 K C 0.456 177.038 176.600 -0.031 0.000 1.014 361 K CA -0.380 55.768 56.287 -0.231 0.000 0.913 361 K CB 0.204 32.489 32.500 -0.358 0.000 1.008 361 K HN 0.413 nan 8.250 nan 0.000 0.490 362 E N 0.091 120.328 120.200 0.062 0.000 2.652 362 E HA -0.085 4.270 4.350 0.009 0.000 0.255 362 E C 0.714 177.357 176.600 0.072 0.000 0.952 362 E CA 1.671 58.116 56.400 0.075 0.000 0.947 362 E CB -0.138 29.612 29.700 0.084 0.000 0.912 362 E HN 0.693 nan 8.360 nan 0.000 0.489 363 G N 2.637 111.473 108.800 0.061 0.000 2.184 363 G HA2 -0.272 3.694 3.960 0.009 0.000 0.264 363 G HA3 -0.272 3.694 3.960 0.009 0.000 0.264 363 G C 0.134 175.085 174.900 0.085 0.000 0.975 363 G CA 0.155 45.291 45.100 0.060 0.000 0.642 363 G HN 0.524 nan 8.290 nan 0.000 0.536 364 V N 1.978 121.935 119.914 0.072 0.000 2.488 364 V HA 0.559 4.685 4.120 0.009 0.000 0.277 364 V C 0.820 176.924 176.094 0.016 0.000 1.046 364 V CA 0.277 62.605 62.300 0.046 0.000 0.986 364 V CB 1.096 32.833 31.823 -0.145 0.000 0.989 364 V HN 0.587 nan 8.190 nan 0.000 0.475 365 R N 5.512 126.037 120.500 0.042 0.000 2.468 365 R HA 0.750 5.096 4.340 0.009 0.000 0.302 365 R C -1.677 174.647 176.300 0.041 0.000 1.041 365 R CA -0.686 55.439 56.100 0.042 0.000 0.899 365 R CB 1.031 31.359 30.300 0.046 0.000 1.167 365 R HN 0.546 nan 8.270 nan 0.000 0.483 366 L N 1.193 122.441 121.223 0.041 0.000 2.283 366 L HA 0.445 4.791 4.340 0.009 0.000 0.259 366 L C -0.757 176.117 176.870 0.006 0.000 1.027 366 L CA -1.254 53.615 54.840 0.049 0.000 0.828 366 L CB 2.391 44.519 42.059 0.115 0.000 1.380 366 L HN 0.567 nan 8.230 nan 0.000 0.425 367 D N 0.841 121.236 120.400 -0.008 0.000 2.347 367 D HA 0.246 4.892 4.640 0.009 0.000 0.235 367 D C -1.798 174.440 176.300 -0.104 0.000 1.149 367 D CA -1.670 52.289 54.000 -0.069 0.000 0.850 367 D CB 1.591 42.365 40.800 -0.044 0.000 1.061 367 D HN 0.095 nan 8.370 nan 0.000 0.487 368 P HA -0.221 nan 4.420 nan 0.000 0.216 368 P C 1.372 178.574 177.300 -0.163 0.000 1.157 368 P CA 1.408 64.276 63.100 -0.387 0.000 0.880 368 P CB 0.054 31.054 31.700 -1.167 0.000 0.791 369 S N -1.552 114.051 115.700 -0.162 0.000 2.383 369 S HA -0.123 4.353 4.470 0.009 0.000 0.227 369 S C 2.088 176.694 174.600 0.010 0.000 1.026 369 S CA 1.709 59.878 58.200 -0.051 0.000 0.981 369 S CB -1.433 61.739 63.200 -0.048 0.000 0.818 369 S HN 0.031 nan 8.310 nan 0.000 0.472 370 S N 1.967 117.671 115.700 0.007 0.000 2.356 370 S HA 0.018 4.494 4.470 0.009 0.000 0.223 370 S C 1.764 176.427 174.600 0.105 0.000 1.032 370 S CA 1.278 59.505 58.200 0.046 0.000 1.005 370 S CB -0.687 62.527 63.200 0.023 0.000 0.867 370 S HN 0.475 nan 8.310 nan 0.000 0.449 371 L N 2.048 123.333 121.223 0.103 0.000 2.027 371 L HA -0.003 4.342 4.340 0.009 0.000 0.206 371 L C 2.185 179.143 176.870 0.147 0.000 1.074 371 L CA 1.508 56.447 54.840 0.164 0.000 0.745 371 L CB -0.845 41.308 42.059 0.157 0.000 0.898 371 L HN 0.117 nan 8.230 nan 0.000 0.433 372 V N 0.268 120.242 119.914 0.099 0.000 2.282 372 V HA -0.350 3.776 4.120 0.009 0.000 0.249 372 V C 2.725 178.868 176.094 0.082 0.000 1.057 372 V CA 2.144 64.493 62.300 0.080 0.000 1.032 372 V CB -0.840 31.042 31.823 0.099 0.000 0.645 372 V HN 0.584 nan 8.190 nan 0.000 0.447 373 Q N -1.180 118.686 119.800 0.109 0.000 2.084 373 Q HA -0.266 4.080 4.340 0.009 0.000 0.202 373 Q C 2.138 178.240 176.000 0.171 0.000 0.978 373 Q CA 2.106 57.981 55.803 0.120 0.000 0.844 373 Q CB -0.529 28.279 28.738 0.118 0.000 0.898 373 Q HN 0.882 nan 8.270 nan 0.000 0.426 374 W N 1.748 123.050 121.300 0.004 0.000 2.355 374 W HA -0.180 4.486 4.660 0.009 0.000 0.309 374 W C 1.690 178.204 176.519 -0.008 0.000 1.206 374 W CA 0.861 58.205 57.345 -0.003 0.000 1.284 374 W CB -0.106 29.351 29.460 -0.005 0.000 1.145 374 W HN 0.096 nan 8.180 nan 0.000 0.502 375 L N 1.013 122.135 121.223 -0.169 0.000 2.083 375 L HA -0.253 4.092 4.340 0.009 0.000 0.209 375 L C 1.911 178.630 176.870 -0.252 0.000 1.083 375 L CA 1.237 55.892 54.840 -0.308 0.000 0.752 375 L CB -1.083 40.880 42.059 -0.160 0.000 0.899 375 L HN -0.031 nan 8.230 nan 0.000 0.433 376 N N 0.030 118.652 118.700 -0.129 0.000 2.461 376 N HA -0.025 4.720 4.740 0.009 0.000 0.188 376 N C 0.722 176.178 175.510 -0.089 0.000 1.134 376 N CA 0.306 53.304 53.050 -0.087 0.000 0.878 376 N CB -0.053 38.423 38.487 -0.019 0.000 0.972 376 N HN 0.320 nan 8.380 nan 0.000 0.456 377 S N 0.288 115.904 115.700 -0.140 0.000 2.579 377 S HA 0.027 4.503 4.470 0.009 0.000 0.275 377 S C 1.386 175.923 174.600 -0.104 0.000 1.345 377 S CA -0.494 57.656 58.200 -0.084 0.000 1.031 377 S CB 1.745 64.918 63.200 -0.045 0.000 0.892 377 S HN 0.198 nan 8.310 nan 0.000 0.529 378 E N 2.690 122.868 120.200 -0.035 0.000 2.097 378 E HA -0.190 4.166 4.350 0.009 0.000 0.196 378 E C 2.033 178.609 176.600 -0.041 0.000 1.000 378 E CA 1.906 58.290 56.400 -0.027 0.000 0.804 378 E CB -0.882 28.822 29.700 0.006 0.000 0.740 378 E HN 0.845 nan 8.360 nan 0.000 0.454 379 A N 0.223 123.024 122.820 -0.031 0.000 1.883 379 A HA -0.214 4.111 4.320 0.009 0.000 0.217 379 A C 2.253 179.760 177.584 -0.128 0.000 1.186 379 A CA 2.148 54.173 52.037 -0.020 0.000 0.624 379 A CB -0.704 18.365 19.000 0.115 0.000 0.822 379 A HN 0.456 nan 8.150 nan 0.000 0.444 380 M N -0.615 118.775 119.600 -0.350 0.000 2.175 380 M HA -0.131 4.355 4.480 0.009 0.000 0.264 380 M C 2.002 178.222 176.300 -0.133 0.000 1.063 380 M CA 1.584 56.663 55.300 -0.369 0.000 1.119 380 M CB -0.458 31.763 32.600 -0.632 0.000 1.377 380 M HN 0.398 nan 8.290 nan 0.000 0.415 381 Q N 0.126 119.858 119.800 -0.115 0.000 2.084 381 Q HA -0.208 4.138 4.340 0.009 0.000 0.202 381 Q C 2.153 178.133 176.000 -0.033 0.000 0.978 381 Q CA 1.697 57.462 55.803 -0.064 0.000 0.844 381 Q CB -0.829 27.874 28.738 -0.059 0.000 0.898 381 Q HN 0.630 nan 8.270 nan 0.000 0.426 382 K N -0.138 120.252 120.400 -0.018 0.000 2.057 382 K HA -0.215 4.110 4.320 0.009 0.000 0.206 382 K C 2.075 178.686 176.600 0.019 0.000 1.050 382 K CA 1.329 57.614 56.287 -0.002 0.000 0.935 382 K CB -0.147 32.361 32.500 0.015 0.000 0.715 382 K HN 0.189 nan 8.250 nan 0.000 0.439 383 H N 0.682 119.717 119.070 -0.058 0.000 2.289 383 H HA -0.152 4.409 4.556 0.008 0.000 0.296 383 H C 1.876 177.169 175.328 -0.059 0.000 1.091 383 H CA 2.822 58.842 56.048 -0.048 0.000 1.274 383 H CB -0.332 29.404 29.762 -0.043 0.000 1.364 383 H HN 0.126 nan 8.280 nan 0.000 0.490 384 V N -0.997 118.908 119.914 -0.016 0.000 2.427 384 V HA -0.130 3.996 4.120 0.009 0.000 0.248 384 V C 2.356 178.415 176.094 -0.058 0.000 1.051 384 V CA 1.906 64.215 62.300 0.015 0.000 1.048 384 V CB -0.585 31.312 31.823 0.124 0.000 0.666 384 V HN 0.298 nan 8.190 nan 0.000 0.456 385 R N 0.501 120.946 120.500 -0.090 0.000 2.105 385 R HA -0.098 4.248 4.340 0.009 0.000 0.239 385 R C 2.473 178.632 176.300 -0.235 0.000 1.135 385 R CA 2.066 58.079 56.100 -0.145 0.000 0.967 385 R CB -0.844 29.389 30.300 -0.111 0.000 0.861 385 R HN 0.634 nan 8.270 nan 0.000 0.442 386 T N 1.486 115.908 114.554 -0.220 0.000 2.701 386 T HA -0.067 4.288 4.350 0.009 0.000 0.263 386 T C 1.929 176.428 174.700 -0.335 0.000 1.040 386 T CA 1.021 62.983 62.100 -0.230 0.000 1.147 386 T CB -0.159 68.638 68.868 -0.118 0.000 0.865 386 T HN 0.106 nan 8.240 nan 0.000 0.426 387 L N -0.717 120.209 121.223 -0.496 0.000 2.046 387 L HA -0.071 4.274 4.340 0.009 0.000 0.208 387 L C 1.864 178.220 176.870 -0.858 0.000 1.077 387 L CA 1.488 55.865 54.840 -0.772 0.000 0.747 387 L CB -0.335 40.931 42.059 -1.322 0.000 0.896 387 L HN 0.341 nan 8.230 nan 0.000 0.432 388 Y N -2.129 117.912 120.300 -0.432 0.000 2.500 388 Y HA 0.254 4.811 4.550 0.011 0.000 0.246 388 Y C 1.325 176.524 175.900 -1.167 0.000 1.146 388 Y CA -0.971 56.685 58.100 -0.741 0.000 1.230 388 Y CB 0.059 38.300 38.460 -0.367 0.000 1.214 388 Y HN -0.028 nan 8.280 nan 0.000 0.526 389 R N 0.840 120.921 120.500 -0.697 0.000 3.707 389 R HA -0.280 4.066 4.340 0.009 0.000 0.504 389 R C -0.124 175.960 176.300 -0.361 0.000 0.241 389 R CA 2.012 57.762 56.100 -0.583 0.000 1.576 389 R CB -1.385 28.445 30.300 -0.784 0.000 0.924 389 R HN 0.425 nan 8.270 nan 0.000 0.597 390 D N 0.067 120.346 120.400 -0.203 0.000 2.670 390 D HA 0.143 4.788 4.640 0.009 0.000 0.255 390 D C 0.844 177.241 176.300 0.162 0.000 1.286 390 D CA -0.205 53.789 54.000 -0.011 0.000 0.830 390 D CB -0.107 40.721 40.800 0.047 0.000 1.065 390 D HN 0.184 nan 8.370 nan 0.000 0.486 391 F N 1.429 121.422 119.950 0.072 0.000 2.095 391 F HA -0.051 4.481 4.527 0.009 0.000 0.298 391 F C 1.495 177.307 175.800 0.020 0.000 1.104 391 F CA 0.368 58.401 58.000 0.056 0.000 1.232 391 F CB -0.782 38.243 39.000 0.043 0.000 0.987 391 F HN 0.055 nan 8.300 nan 0.000 0.475 392 V N -3.831 116.205 119.914 0.203 0.000 3.007 392 V HA 0.492 4.618 4.120 0.009 0.000 0.311 392 V C -2.449 173.645 176.094 0.001 0.000 1.120 392 V CA -1.727 60.643 62.300 0.117 0.000 0.980 392 V CB 2.043 33.976 31.823 0.184 0.000 1.033 392 V HN -0.155 nan 8.190 nan 0.000 0.429 393 P HA 0.325 nan 4.420 nan 0.000 0.244 393 P C -0.445 176.536 177.300 -0.531 0.000 1.632 393 P CA 0.431 63.344 63.100 -0.312 0.000 0.944 393 P CB -0.570 30.907 31.700 -0.372 0.000 1.569 394 H N -1.123 117.892 119.070 -0.092 0.000 2.961 394 H HA 0.436 4.997 4.556 0.009 0.000 0.371 394 H C -0.842 174.464 175.328 -0.037 0.000 1.190 394 H CA -1.014 54.946 56.048 -0.148 0.000 1.138 394 H CB 1.666 31.279 29.762 -0.247 0.000 1.816 394 H HN -0.120 nan 8.280 nan 0.000 0.551 395 L N 2.699 124.032 121.223 0.184 0.000 2.278 395 L HA 0.293 4.638 4.340 0.009 0.000 0.287 395 L C 0.250 177.350 176.870 0.383 0.000 1.072 395 L CA -0.009 54.936 54.840 0.176 0.000 0.819 395 L CB 0.221 42.368 42.059 0.146 0.000 1.176 395 L HN 0.829 nan 8.230 nan 0.000 0.435 396 T N 1.457 116.115 114.554 0.173 0.000 2.881 396 T HA 0.237 4.592 4.350 0.009 0.000 0.278 396 T C 1.075 175.772 174.700 -0.003 0.000 0.982 396 T CA -0.567 61.680 62.100 0.244 0.000 0.989 396 T CB 0.972 69.909 68.868 0.114 0.000 1.058 396 T HN 0.577 nan 8.240 nan 0.000 0.529 397 L N 0.755 121.979 121.223 0.002 0.000 2.042 397 L HA -0.021 4.324 4.340 0.009 0.000 0.210 397 L C 2.663 179.428 176.870 -0.175 0.000 1.076 397 L CA 1.693 56.386 54.840 -0.246 0.000 0.749 397 L CB -0.786 41.250 42.059 -0.037 0.000 0.893 397 L HN 0.568 nan 8.230 nan 0.000 0.432 398 R N -0.616 119.834 120.500 -0.083 0.000 2.105 398 R HA -0.129 4.216 4.340 0.009 0.000 0.239 398 R C 2.112 178.351 176.300 -0.102 0.000 1.135 398 R CA 2.015 58.078 56.100 -0.061 0.000 0.967 398 R CB -0.891 29.402 30.300 -0.012 0.000 0.861 398 R HN 0.499 nan 8.270 nan 0.000 0.442 399 M N -0.330 119.142 119.600 -0.213 0.000 2.123 399 M HA -0.095 4.390 4.480 0.009 0.000 0.263 399 M C 2.138 178.352 176.300 -0.143 0.000 1.069 399 M CA 1.040 56.167 55.300 -0.287 0.000 1.133 399 M CB -0.430 31.817 32.600 -0.589 0.000 1.356 399 M HN 0.004 nan 8.290 nan 0.000 0.415 400 L N 1.600 122.690 121.223 -0.222 0.000 2.012 400 L HA -0.220 4.125 4.340 0.009 0.000 0.210 400 L C 2.450 179.218 176.870 -0.170 0.000 1.073 400 L CA 2.175 56.864 54.840 -0.251 0.000 0.748 400 L CB -0.793 40.957 42.059 -0.516 0.000 0.891 400 L HN 0.467 nan 8.230 nan 0.000 0.431 401 E N -0.914 119.193 120.200 -0.155 0.000 2.265 401 E HA -0.248 4.107 4.350 0.009 0.000 0.196 401 E C 1.935 178.522 176.600 -0.021 0.000 0.996 401 E CA 1.162 57.513 56.400 -0.083 0.000 0.832 401 E CB -0.375 29.285 29.700 -0.067 0.000 0.756 401 E HN 0.538 nan 8.360 nan 0.000 0.491 402 R N 0.581 121.087 120.500 0.010 0.000 2.297 402 R HA 0.236 4.582 4.340 0.009 0.000 0.197 402 R C 0.425 176.790 176.300 0.109 0.000 0.943 402 R CA -0.191 55.953 56.100 0.072 0.000 1.038 402 R CB 0.024 30.395 30.300 0.119 0.000 0.957 402 R HN 0.167 nan 8.270 nan 0.000 0.484 403 L N 3.668 124.937 121.223 0.077 0.000 2.559 403 L HA 0.044 4.390 4.340 0.009 0.000 0.274 403 L C -2.108 174.824 176.870 0.102 0.000 1.205 403 L CA -1.443 53.452 54.840 0.091 0.000 0.907 403 L CB -0.007 42.057 42.059 0.007 0.000 1.153 403 L HN -0.223 nan 8.230 nan 0.000 0.490 404 P HA 0.182 nan 4.420 nan 0.000 0.282 404 P C -0.645 176.851 177.300 0.326 0.000 1.262 404 P CA -0.234 62.956 63.100 0.150 0.000 0.773 404 P CB 1.347 33.097 31.700 0.083 0.000 0.879 405 V N 1.247 121.294 119.914 0.223 0.000 3.158 405 V HA 0.598 4.723 4.120 0.009 0.000 0.315 405 V C 0.273 176.377 176.094 0.018 0.000 1.148 405 V CA -1.629 60.790 62.300 0.198 0.000 1.042 405 V CB 1.722 33.672 31.823 0.213 0.000 1.101 405 V HN 0.406 nan 8.190 nan 0.000 0.448 406 R N 1.294 121.747 120.500 -0.080 0.000 2.583 406 R HA 0.107 4.453 4.340 0.009 0.000 0.274 406 R C 0.122 176.429 176.300 0.011 0.000 0.998 406 R CA -0.053 56.003 56.100 -0.072 0.000 1.081 406 R CB 0.262 30.508 30.300 -0.090 0.000 0.940 406 R HN 0.822 nan 8.270 nan 0.000 0.413 407 R N 2.908 123.429 120.500 0.034 0.000 2.570 407 R HA 0.020 4.366 4.340 0.009 0.000 0.277 407 R C -0.251 176.136 176.300 0.146 0.000 1.039 407 R CA 0.196 56.354 56.100 0.097 0.000 1.065 407 R CB 0.469 30.837 30.300 0.114 0.000 0.964 407 R HN 0.529 nan 8.270 nan 0.000 0.428 408 E N 2.374 122.722 120.200 0.247 0.000 2.195 408 E HA 0.046 4.401 4.350 0.009 0.000 0.271 408 E C -1.037 175.774 176.600 0.352 0.000 0.923 408 E CA -0.954 55.648 56.400 0.337 0.000 0.790 408 E CB 1.581 31.550 29.700 0.447 0.000 1.155 408 E HN 0.447 nan 8.360 nan 0.000 0.402 409 Y N 0.912 121.272 120.300 0.101 0.000 2.677 409 Y HA 0.207 4.761 4.550 0.007 0.000 0.335 409 Y C 1.218 176.970 175.900 -0.246 0.000 1.162 409 Y CA 1.860 59.943 58.100 -0.027 0.000 1.483 409 Y CB 0.039 38.475 38.460 -0.041 0.000 1.209 409 Y HN 0.771 nan 8.280 nan 0.000 0.528 410 G N 4.802 113.092 108.800 -0.850 0.000 2.229 410 G HA2 -0.204 3.761 3.960 0.009 0.000 0.189 410 G HA3 -0.204 3.761 3.960 0.009 0.000 0.189 410 G C -0.304 174.049 174.900 -0.913 0.000 1.000 410 G CA -0.070 44.435 45.100 -0.992 0.000 0.663 410 G HN 0.965 nan 8.290 nan 0.000 0.493 411 F N 0.326 120.233 119.950 -0.071 0.000 3.355 411 F HA 0.463 4.994 4.527 0.006 0.000 0.418 411 F C 0.237 176.028 175.800 -0.014 0.000 1.094 411 F CA -0.954 57.020 58.000 -0.044 0.000 1.327 411 F CB -0.780 38.182 39.000 -0.063 0.000 2.583 411 F HN 0.364 nan 8.300 nan 0.000 0.694 412 H N -0.481 118.659 119.070 0.117 0.000 2.394 412 H HA 0.862 5.421 4.556 0.004 0.000 0.258 412 H C 0.276 175.646 175.328 0.070 0.000 1.608 412 H CA 0.118 56.216 56.048 0.084 0.000 1.531 412 H CB 0.834 30.617 29.762 0.035 0.000 1.700 412 H HN 0.421 nan 8.280 nan 0.000 0.779 413 T N 0.000 114.580 114.554 0.044 0.000 3.816 413 T HA 0.000 4.356 4.350 0.009 0.000 0.228 413 T CA 0.000 62.081 62.100 -0.033 0.000 1.349 413 T CB 0.000 68.868 68.868 0.000 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658