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 2jbv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE SCIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.342 176.300 0.071 0.000 1.140 1 M CA 0.000 55.347 55.300 0.078 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 H N 3.731 122.798 119.070 -0.005 0.000 2.705 2 H HA 0.596 5.152 4.556 0.000 0.000 0.291 2 H C -1.501 173.814 175.328 -0.021 0.000 1.085 2 H CA -0.651 55.386 56.048 -0.019 0.000 1.357 2 H CB 0.665 30.435 29.762 0.014 0.000 1.419 2 H HN 0.626 nan 8.280 nan 0.000 0.462 3 I N 6.119 126.609 120.570 -0.134 0.000 2.306 3 I HA 0.067 4.237 4.170 0.000 0.000 0.288 3 I C 0.429 176.381 176.117 -0.274 0.000 1.036 3 I CA -0.470 60.704 61.300 -0.210 0.000 1.221 3 I CB 0.943 38.895 38.000 -0.080 0.000 1.385 3 I HN 0.741 nan 8.210 nan 0.000 0.472 4 D N 3.761 123.921 120.400 -0.400 0.000 2.388 4 D HA 0.028 4.668 4.640 0.000 0.000 0.221 4 D C 0.144 176.382 176.300 -0.104 0.000 1.133 4 D CA -0.018 53.850 54.000 -0.219 0.000 0.831 4 D CB 0.160 40.818 40.800 -0.237 0.000 0.962 4 D HN 0.310 nan 8.370 nan 0.000 0.502 5 N N 0.606 119.245 118.700 -0.101 0.000 2.629 5 N HA 0.096 4.837 4.740 0.000 0.000 0.277 5 N C 0.015 175.479 175.510 -0.076 0.000 1.188 5 N CA -0.561 52.449 53.050 -0.067 0.000 0.835 5 N CB 0.981 39.430 38.487 -0.062 0.000 1.420 5 N HN -0.047 nan 8.380 nan 0.000 0.542 6 I N 3.113 123.635 120.570 -0.080 0.000 2.423 6 I HA -0.162 4.008 4.170 0.000 0.000 0.254 6 I C 1.564 177.564 176.117 -0.196 0.000 1.151 6 I CA 1.725 62.937 61.300 -0.146 0.000 1.421 6 I CB 0.160 38.039 38.000 -0.202 0.000 1.079 6 I HN 0.607 nan 8.210 nan 0.000 0.431 7 E N 0.381 120.494 120.200 -0.145 0.000 2.085 7 E HA -0.216 4.134 4.350 0.000 0.000 0.194 7 E C 0.929 177.483 176.600 -0.077 0.000 0.994 7 E CA 1.291 57.629 56.400 -0.102 0.000 0.801 7 E CB -0.385 29.287 29.700 -0.047 0.000 0.743 7 E HN 0.528 nan 8.360 nan 0.000 0.453 8 N N 0.872 119.532 118.700 -0.067 0.000 2.482 8 N HA 0.036 4.776 4.740 0.000 0.000 0.220 8 N C -0.694 174.785 175.510 -0.052 0.000 1.255 8 N CA 0.361 53.379 53.050 -0.054 0.000 0.850 8 N CB 0.162 38.617 38.487 -0.054 0.000 1.127 8 N HN 0.033 nan 8.380 nan 0.000 0.475 9 L N -0.218 120.969 121.223 -0.059 0.000 2.504 9 L HA 0.280 4.620 4.340 0.000 0.000 0.265 9 L C 0.564 177.404 176.870 -0.051 0.000 0.975 9 L CA -0.061 54.754 54.840 -0.043 0.000 0.864 9 L CB 1.604 43.649 42.059 -0.023 0.000 1.212 9 L HN -0.176 nan 8.230 nan 0.000 0.416 10 S N 1.319 116.991 115.700 -0.048 0.000 2.441 10 S HA 0.121 4.591 4.470 0.000 0.000 0.224 10 S C 0.248 174.802 174.600 -0.077 0.000 1.043 10 S CA 0.181 58.349 58.200 -0.054 0.000 0.948 10 S CB 0.007 63.180 63.200 -0.045 0.000 0.810 10 S HN 0.715 nan 8.310 nan 0.000 0.504 11 D N 1.767 122.106 120.400 -0.100 0.000 2.325 11 D HA 0.242 4.882 4.640 0.000 0.000 0.251 11 D C 0.073 176.213 176.300 -0.267 0.000 1.196 11 D CA 0.055 53.942 54.000 -0.188 0.000 0.866 11 D CB 0.427 41.101 40.800 -0.210 0.000 1.101 11 D HN 0.068 nan 8.370 nan 0.000 0.476 12 R N 2.761 123.094 120.500 -0.278 0.000 2.690 12 R HA 0.208 4.548 4.340 0.000 0.000 0.419 12 R C -0.182 175.954 176.300 -0.273 0.000 1.090 12 R CA -0.315 55.675 56.100 -0.182 0.000 1.064 12 R CB 0.931 31.220 30.300 -0.018 0.000 1.391 12 R HN 0.379 nan 8.270 nan 0.000 0.586 13 E N 0.498 120.316 120.200 -0.636 0.000 2.272 13 E HA 0.481 4.831 4.350 0.000 0.000 0.269 13 E C -1.361 174.792 176.600 -0.745 0.000 0.877 13 E CA -0.598 55.540 56.400 -0.437 0.000 0.755 13 E CB 1.271 30.826 29.700 -0.242 0.000 1.192 13 E HN -0.115 nan 8.360 nan 0.000 0.422 14 F N 1.074 120.994 119.950 -0.051 0.000 2.643 14 F HA 0.259 4.786 4.527 0.000 0.000 0.314 14 F C 0.853 176.595 175.800 -0.096 0.000 1.096 14 F CA -0.795 57.179 58.000 -0.044 0.000 0.953 14 F CB 1.540 40.529 39.000 -0.018 0.000 1.345 14 F HN 0.396 nan 8.300 nan 0.000 0.468 15 D N 0.010 120.461 120.400 0.084 0.000 2.123 15 D HA -0.088 4.553 4.640 0.000 0.000 0.200 15 D C -0.458 175.541 176.300 -0.502 0.000 0.976 15 D CA 1.920 55.788 54.000 -0.221 0.000 0.831 15 D CB 0.102 40.787 40.800 -0.192 0.000 0.974 15 D HN 0.299 nan 8.370 nan 0.000 0.469 16 Y N -0.463 119.911 120.300 0.123 0.000 2.391 16 Y HA 0.471 5.021 4.550 0.000 0.000 0.341 16 Y C -0.113 175.795 175.900 0.013 0.000 0.965 16 Y CA -0.788 57.350 58.100 0.064 0.000 1.067 16 Y CB 1.979 40.468 38.460 0.048 0.000 1.199 16 Y HN -0.315 nan 8.280 nan 0.000 0.450 17 I N 3.888 124.533 120.570 0.124 0.000 2.406 17 I HA 0.443 4.613 4.170 0.000 0.000 0.290 17 I C -0.978 175.157 176.117 0.030 0.000 0.999 17 I CA -0.984 60.316 61.300 -0.001 0.000 1.124 17 I CB 1.492 39.474 38.000 -0.030 0.000 1.289 17 I HN 0.253 nan 8.210 nan 0.000 0.441 18 V N 7.101 127.017 119.914 0.002 0.000 2.398 18 V HA 0.321 4.441 4.120 0.000 0.000 0.286 18 V C 0.008 176.098 176.094 -0.007 0.000 1.026 18 V CA -0.712 61.594 62.300 0.009 0.000 0.868 18 V CB 1.767 33.601 31.823 0.019 0.000 0.982 18 V HN 0.394 nan 8.190 nan 0.000 0.443 19 V N 4.074 123.987 119.914 -0.002 0.000 2.318 19 V HA 0.851 4.971 4.120 0.000 0.000 0.271 19 V C 0.591 176.694 176.094 0.016 0.000 1.030 19 V CA 0.211 62.512 62.300 0.001 0.000 0.844 19 V CB 0.585 32.404 31.823 -0.007 0.000 1.015 19 V HN 1.273 nan 8.190 nan 0.000 0.460 20 G N 3.359 112.181 108.800 0.037 0.000 3.435 20 G HA2 0.154 4.114 3.960 0.000 0.000 0.683 20 G HA3 0.154 4.114 3.960 0.000 0.000 0.683 20 G C 0.088 175.019 174.900 0.052 0.000 1.189 20 G CA -0.514 44.621 45.100 0.058 0.000 1.069 20 G HN 1.186 nan 8.290 nan 0.000 0.508 21 G N 0.823 109.667 108.800 0.072 0.000 3.882 21 G HA2 0.653 4.613 3.960 0.000 0.000 0.283 21 G HA3 0.653 4.613 3.960 0.000 0.000 0.283 21 G C 0.891 175.825 174.900 0.057 0.000 1.283 21 G CA 0.892 46.030 45.100 0.064 0.000 1.402 21 G HN 1.203 nan 8.290 nan 0.000 0.618 22 G N 0.110 108.938 108.800 0.046 0.000 2.574 22 G HA2 0.362 4.322 3.960 0.000 0.000 0.248 22 G HA3 0.362 4.322 3.960 0.000 0.000 0.248 22 G C 1.299 176.213 174.900 0.023 0.000 1.422 22 G CA 0.420 45.546 45.100 0.042 0.000 1.051 22 G HN 0.185 nan 8.290 nan 0.000 0.560 23 S N 0.026 115.744 115.700 0.030 0.000 2.368 23 S HA -0.202 4.268 4.470 0.000 0.000 0.226 23 S C 2.602 177.199 174.600 -0.004 0.000 1.044 23 S CA 1.951 60.171 58.200 0.033 0.000 1.062 23 S CB -0.514 62.715 63.200 0.048 0.000 0.931 23 S HN 0.784 nan 8.310 nan 0.000 0.440 24 A N 1.027 123.837 122.820 -0.017 0.000 1.935 24 A HA 0.334 4.654 4.320 0.000 0.000 0.214 24 A C 2.305 179.832 177.584 -0.095 0.000 1.178 24 A CA 1.229 53.235 52.037 -0.052 0.000 0.640 24 A CB -1.181 17.808 19.000 -0.018 0.000 0.825 24 A HN 0.505 nan 8.150 nan 0.000 0.447 25 G N -0.122 108.644 108.800 -0.057 0.000 2.404 25 G HA2 0.032 3.992 3.960 0.000 0.000 0.215 25 G HA3 0.032 3.992 3.960 0.000 0.000 0.215 25 G C 1.751 176.602 174.900 -0.081 0.000 1.174 25 G CA 1.361 46.431 45.100 -0.050 0.000 0.780 25 G HN 0.722 nan 8.290 nan 0.000 0.537 26 A N 1.291 124.061 122.820 -0.083 0.000 1.908 26 A HA 0.171 4.491 4.320 0.000 0.000 0.218 26 A C 2.830 180.203 177.584 -0.351 0.000 1.181 26 A CA 2.473 54.445 52.037 -0.109 0.000 0.627 26 A CB -0.884 18.102 19.000 -0.023 0.000 0.818 26 A HN 0.820 nan 8.150 nan 0.000 0.445 27 A N -0.499 121.957 122.820 -0.606 0.000 1.865 27 A HA -0.044 4.276 4.320 0.000 0.000 0.217 27 A C 2.253 179.535 177.584 -0.504 0.000 1.191 27 A CA 2.006 53.429 52.037 -1.024 0.000 0.623 27 A CB -1.132 17.348 19.000 -0.866 0.000 0.826 27 A HN 0.477 nan 8.150 nan 0.000 0.444 28 V N -0.003 119.740 119.914 -0.286 0.000 2.287 28 V HA -0.282 3.838 4.120 0.000 0.000 0.248 28 V C 3.061 179.060 176.094 -0.159 0.000 1.053 28 V CA 2.125 64.316 62.300 -0.180 0.000 1.027 28 V CB -1.506 30.251 31.823 -0.111 0.000 0.646 28 V HN 0.640 nan 8.190 nan 0.000 0.447 29 A N 0.154 122.904 122.820 -0.117 0.000 1.865 29 A HA -0.169 4.151 4.320 0.000 0.000 0.217 29 A C 2.445 179.964 177.584 -0.108 0.000 1.191 29 A CA 2.503 54.523 52.037 -0.028 0.000 0.623 29 A CB -0.991 18.068 19.000 0.099 0.000 0.826 29 A HN 0.606 nan 8.150 nan 0.000 0.444 30 A N -0.859 121.837 122.820 -0.207 0.000 1.902 30 A HA -0.143 4.177 4.320 0.000 0.000 0.217 30 A C 2.227 179.731 177.584 -0.135 0.000 1.181 30 A CA 1.535 53.436 52.037 -0.226 0.000 0.623 30 A CB -0.425 18.507 19.000 -0.114 0.000 0.818 30 A HN 0.396 nan 8.150 nan 0.000 0.443 31 R N -0.356 120.065 120.500 -0.132 0.000 2.075 31 R HA 0.035 4.375 4.340 0.000 0.000 0.232 31 R C 2.081 178.324 176.300 -0.095 0.000 1.126 31 R CA 0.977 57.023 56.100 -0.090 0.000 0.963 31 R CB -1.078 29.162 30.300 -0.099 0.000 0.858 31 R HN 0.586 nan 8.270 nan 0.000 0.435 32 L N 1.202 122.348 121.223 -0.129 0.000 2.079 32 L HA -0.179 4.161 4.340 0.000 0.000 0.210 32 L C 2.360 179.197 176.870 -0.055 0.000 1.081 32 L CA 1.785 56.531 54.840 -0.156 0.000 0.752 32 L CB -0.544 41.363 42.059 -0.252 0.000 0.896 32 L HN 0.260 nan 8.230 nan 0.000 0.433 33 S N -1.390 114.299 115.700 -0.018 0.000 2.561 33 S HA -0.123 4.347 4.470 0.000 0.000 0.225 33 S C 1.545 176.156 174.600 0.020 0.000 0.977 33 S CA 0.480 58.705 58.200 0.041 0.000 0.926 33 S CB -0.189 63.031 63.200 0.034 0.000 0.769 33 S HN 0.429 nan 8.310 nan 0.000 0.533 34 E N 1.184 121.378 120.200 -0.010 0.000 2.265 34 E HA -0.095 4.255 4.350 0.000 0.000 0.196 34 E C 0.064 176.674 176.600 0.016 0.000 0.996 34 E CA 0.836 57.235 56.400 -0.001 0.000 0.832 34 E CB -0.037 29.657 29.700 -0.010 0.000 0.756 34 E HN 0.534 nan 8.360 nan 0.000 0.491 35 D N 0.184 120.599 120.400 0.025 0.000 2.365 35 D HA 0.015 4.655 4.640 0.000 0.000 0.237 35 D C -1.671 174.668 176.300 0.064 0.000 1.190 35 D CA -2.403 51.621 54.000 0.041 0.000 0.867 35 D CB 1.163 41.990 40.800 0.045 0.000 1.050 35 D HN -0.090 nan 8.370 nan 0.000 0.491 36 P HA -0.005 nan 4.420 nan 0.000 0.226 36 P C 0.319 177.663 177.300 0.073 0.000 1.153 36 P CA 0.226 63.366 63.100 0.067 0.000 0.777 36 P CB 0.235 31.966 31.700 0.052 0.000 0.794 37 A N 0.115 122.977 122.820 0.070 0.000 0.000 37 A HA 0.586 4.906 4.320 0.000 0.000 0.000 37 A C 0.422 178.060 177.584 0.090 0.000 0.000 37 A CA 0.451 52.529 52.037 0.069 0.000 0.000 37 A CB -0.139 18.896 19.000 0.058 0.000 0.000 37 A HN 0.228 nan 8.150 nan 0.000 0.000 38 V N -1.816 nan 119.914 nan 0.000 0.000 38 V HA 0.573 4.693 4.120 0.000 0.000 0.000 38 V C -0.161 176.052 176.094 0.197 0.000 0.000 38 V CA -0.291 62.113 62.300 0.175 0.000 0.000 38 V CB 0.864 32.856 31.823 0.281 0.000 0.000 38 V HN 1.714 nan 8.190 nan 0.000 0.000 39 S N -0.072 115.757 115.700 0.215 0.000 2.509 39 S HA 0.939 5.410 4.470 0.000 0.000 0.297 39 S C -0.849 173.950 174.600 0.331 0.000 1.118 39 S CA -0.578 57.779 58.200 0.263 0.000 1.074 39 S CB 1.524 64.877 63.200 0.256 0.000 1.038 39 S HN 1.989 nan 8.310 nan 0.000 0.498 40 V N 1.402 121.495 119.914 0.297 0.000 2.577 40 V HA 0.782 4.902 4.120 0.000 0.000 0.303 40 V C -0.026 176.026 176.094 -0.069 0.000 1.042 40 V CA -0.770 61.661 62.300 0.219 0.000 0.872 40 V CB 1.425 33.428 31.823 0.300 0.000 0.998 40 V HN 1.218 nan 8.190 nan 0.000 0.423 41 A N 4.669 127.250 122.820 -0.398 0.000 2.304 41 A HA 0.863 5.183 4.320 0.000 0.000 0.323 41 A C -1.028 176.353 177.584 -0.338 0.000 1.195 41 A CA -0.479 51.112 52.037 -0.744 0.000 0.826 41 A CB 1.096 19.177 19.000 -1.531 0.000 1.184 41 A HN 0.839 nan 8.150 nan 0.000 0.496 42 L N 4.077 125.130 121.223 -0.283 0.000 2.276 42 L HA 0.566 4.906 4.340 0.000 0.000 0.286 42 L C -0.793 176.021 176.870 -0.094 0.000 1.024 42 L CA -0.169 54.625 54.840 -0.076 0.000 0.826 42 L CB 1.433 43.569 42.059 0.127 0.000 1.211 42 L HN 0.397 nan 8.230 nan 0.000 0.422 43 V N 4.305 124.183 119.914 -0.060 0.000 2.383 43 V HA 0.591 4.711 4.120 0.000 0.000 0.275 43 V C -0.215 175.900 176.094 0.034 0.000 1.036 43 V CA -0.550 61.735 62.300 -0.024 0.000 0.889 43 V CB 1.237 33.042 31.823 -0.031 0.000 0.985 43 V HN 0.788 nan 8.190 nan 0.000 0.459 44 E N 3.849 124.086 120.200 0.062 0.000 2.272 44 E HA 0.712 5.062 4.350 0.000 0.000 0.269 44 E C 0.419 177.094 176.600 0.124 0.000 0.877 44 E CA -0.075 56.388 56.400 0.103 0.000 0.755 44 E CB 2.046 31.805 29.700 0.100 0.000 1.192 44 E HN 0.556 nan 8.360 nan 0.000 0.422 45 A N 3.537 126.468 122.820 0.184 0.000 1.968 45 A HA 0.240 4.560 4.320 0.000 0.000 0.217 45 A C 1.236 178.864 177.584 0.074 0.000 1.169 45 A CA 1.153 53.303 52.037 0.188 0.000 0.638 45 A CB -0.741 18.496 19.000 0.395 0.000 0.812 45 A HN 0.575 nan 8.150 nan 0.000 0.446 46 G N -0.441 108.396 108.800 0.061 0.000 2.580 46 G HA2 0.469 4.430 3.960 0.000 0.000 0.278 46 G HA3 0.469 4.430 3.960 0.000 0.000 0.278 46 G C -2.471 172.463 174.900 0.057 0.000 1.212 46 G CA -1.123 43.977 45.100 -0.000 0.000 0.939 46 G HN 0.229 nan 8.290 nan 0.000 0.513 47 P HA 0.139 nan 4.420 nan 0.000 0.277 47 P C -0.562 176.799 177.300 0.102 0.000 1.271 47 P CA -0.514 62.648 63.100 0.104 0.000 0.795 47 P CB 0.838 32.614 31.700 0.126 0.000 1.101 48 D N 0.066 120.521 120.400 0.092 0.000 2.443 48 D HA -0.046 4.594 4.640 0.000 0.000 0.239 48 D C 0.814 177.143 176.300 0.047 0.000 1.136 48 D CA 0.213 54.225 54.000 0.021 0.000 0.879 48 D CB 0.318 41.100 40.800 -0.029 0.000 1.195 48 D HN 0.321 nan 8.370 nan 0.000 0.443 49 D N 2.356 122.787 120.400 0.052 0.000 2.360 49 D HA -0.046 4.594 4.640 0.000 0.000 0.210 49 D C 0.193 176.516 176.300 0.038 0.000 1.047 49 D CA -0.217 53.818 54.000 0.057 0.000 0.854 49 D CB -0.005 40.845 40.800 0.083 0.000 0.936 49 D HN 0.231 nan 8.370 nan 0.000 0.514 50 R N 0.632 121.096 120.500 -0.059 0.000 2.585 50 R HA 0.304 4.644 4.340 0.000 0.000 0.275 50 R C 1.224 177.494 176.300 -0.050 0.000 1.018 50 R CA 0.788 56.796 56.100 -0.153 0.000 1.072 50 R CB 0.068 30.184 30.300 -0.306 0.000 0.953 50 R HN 0.211 nan 8.270 nan 0.000 0.419 51 G N 1.751 110.532 108.800 -0.031 0.000 2.361 51 G HA2 -0.270 3.690 3.960 0.000 0.000 0.294 51 G HA3 -0.270 3.690 3.960 0.000 0.000 0.294 51 G C 0.000 174.910 174.900 0.016 0.000 1.004 51 G CA 0.320 45.419 45.100 -0.001 0.000 0.870 51 G HN 0.402 nan 8.290 nan 0.000 0.510 52 V N 1.434 121.358 119.914 0.017 0.000 2.277 52 V HA 0.251 4.371 4.120 0.000 0.000 0.269 52 V C -0.316 175.781 176.094 0.005 0.000 1.036 52 V CA -0.727 61.584 62.300 0.020 0.000 0.821 52 V CB 1.545 33.371 31.823 0.004 0.000 1.052 52 V HN 0.181 nan 8.190 nan 0.000 0.462 53 P HA -0.121 nan 4.420 nan 0.000 0.222 53 P C 1.307 178.624 177.300 0.029 0.000 1.153 53 P CA 0.903 64.020 63.100 0.029 0.000 0.798 53 P CB 0.405 32.129 31.700 0.039 0.000 0.796 54 E N 0.321 120.535 120.200 0.023 0.000 2.204 54 E HA -0.065 4.285 4.350 0.000 0.000 0.194 54 E C 1.774 178.361 176.600 -0.021 0.000 0.989 54 E CA 1.009 57.425 56.400 0.027 0.000 0.824 54 E CB -1.196 28.545 29.700 0.068 0.000 0.756 54 E HN 0.117 nan 8.360 nan 0.000 0.477 55 V N 1.458 121.307 119.914 -0.109 0.000 2.426 55 V HA -0.114 4.006 4.120 0.000 0.000 0.242 55 V C 2.575 178.658 176.094 -0.019 0.000 1.036 55 V CA 0.941 63.165 62.300 -0.128 0.000 1.044 55 V CB -0.393 31.274 31.823 -0.260 0.000 0.688 55 V HN 0.140 nan 8.190 nan 0.000 0.462 56 L N -0.475 120.746 121.223 -0.003 0.000 2.093 56 L HA -0.075 4.266 4.340 0.000 0.000 0.208 56 L C 1.120 178.014 176.870 0.040 0.000 1.085 56 L CA 1.005 55.859 54.840 0.024 0.000 0.755 56 L CB -0.332 41.747 42.059 0.035 0.000 0.904 56 L HN 0.361 nan 8.230 nan 0.000 0.435 57 Q N 0.921 120.755 119.800 0.055 0.000 2.344 57 Q HA 0.026 4.367 4.340 0.000 0.000 0.253 57 Q C 0.934 177.008 176.000 0.123 0.000 1.050 57 Q CA -0.341 55.509 55.803 0.078 0.000 0.912 57 Q CB 1.381 30.168 28.738 0.083 0.000 1.258 57 Q HN 0.129 nan 8.270 nan 0.000 0.443 58 L N 4.109 125.402 121.223 0.117 0.000 2.021 58 L HA -0.261 4.079 4.340 0.000 0.000 0.215 58 L C 1.552 178.614 176.870 0.319 0.000 1.074 58 L CA 2.489 57.432 54.840 0.172 0.000 0.760 58 L CB -0.365 41.753 42.059 0.098 0.000 0.889 58 L HN 0.753 nan 8.230 nan 0.000 0.433 59 D N -1.588 118.967 120.400 0.258 0.000 2.392 59 D HA -0.166 4.474 4.640 0.000 0.000 0.228 59 D C 1.572 178.168 176.300 0.493 0.000 1.003 59 D CA 0.737 54.956 54.000 0.365 0.000 0.917 59 D CB -0.457 40.449 40.800 0.177 0.000 0.890 59 D HN 0.424 nan 8.370 nan 0.000 0.532 60 R N 0.185 120.878 120.500 0.321 0.000 2.359 60 R HA 0.090 4.430 4.340 0.000 0.000 0.231 60 R C 1.413 177.804 176.300 0.152 0.000 0.913 60 R CA -0.050 56.168 56.100 0.197 0.000 1.075 60 R CB -0.283 30.100 30.300 0.139 0.000 1.087 60 R HN 0.477 nan 8.270 nan 0.000 0.515 61 W N 0.576 121.967 121.300 0.151 0.000 2.374 61 W HA -0.123 4.537 4.660 0.000 0.000 0.288 61 W C 1.163 177.706 176.519 0.040 0.000 1.218 61 W CA 0.517 57.907 57.345 0.075 0.000 1.245 61 W CB -0.730 28.765 29.460 0.058 0.000 1.126 61 W HN -0.034 nan 8.180 nan 0.000 0.545 62 M N 1.321 120.387 119.600 -0.890 0.000 2.213 62 M HA -0.168 4.312 4.480 0.000 0.000 0.263 62 M C 1.905 177.997 176.300 -0.348 0.000 1.062 62 M CA 1.915 56.670 55.300 -0.909 0.000 1.105 62 M CB -0.589 31.474 32.600 -0.895 0.000 1.385 62 M HN 0.032 nan 8.290 nan 0.000 0.417 63 E N 0.479 120.558 120.200 -0.201 0.000 2.333 63 E HA -0.150 4.200 4.350 0.000 0.000 0.198 63 E C 1.744 178.343 176.600 -0.002 0.000 1.007 63 E CA 0.779 57.133 56.400 -0.076 0.000 0.845 63 E CB -0.242 29.441 29.700 -0.028 0.000 0.766 63 E HN 0.570 nan 8.360 nan 0.000 0.507 64 L N 0.584 121.822 121.223 0.025 0.000 2.418 64 L HA 0.044 4.384 4.340 0.000 0.000 0.218 64 L C 0.769 177.697 176.870 0.096 0.000 1.125 64 L CA -0.104 54.806 54.840 0.117 0.000 0.835 64 L CB -0.030 42.133 42.059 0.175 0.000 0.953 64 L HN 0.073 nan 8.230 nan 0.000 0.454 65 L N 1.136 122.364 121.223 0.009 0.000 2.534 65 L HA -0.036 4.304 4.340 0.000 0.000 0.271 65 L C 0.705 177.595 176.870 0.034 0.000 1.178 65 L CA 0.373 55.217 54.840 0.006 0.000 0.907 65 L CB 0.016 42.051 42.059 -0.039 0.000 1.164 65 L HN 0.263 nan 8.230 nan 0.000 0.482 66 E N 0.085 120.321 120.200 0.059 0.000 3.170 66 E HA -0.231 4.119 4.350 0.000 0.000 0.284 66 E C 0.316 176.928 176.600 0.020 0.000 0.967 66 E CA 0.685 57.108 56.400 0.040 0.000 0.919 66 E CB -0.909 28.810 29.700 0.032 0.000 1.469 66 E HN 0.827 nan 8.360 nan 0.000 0.444 67 S N -1.548 114.176 115.700 0.039 0.000 2.646 67 S HA 0.491 4.961 4.470 0.000 0.000 0.273 67 S C 1.500 176.077 174.600 -0.040 0.000 1.168 67 S CA -0.261 57.952 58.200 0.022 0.000 1.013 67 S CB 1.329 64.589 63.200 0.099 0.000 1.098 67 S HN 0.227 nan 8.310 nan 0.000 0.544 68 G N -1.177 107.535 108.800 -0.147 0.000 2.679 68 G HA2 0.024 3.984 3.960 0.000 0.000 0.212 68 G HA3 0.024 3.984 3.960 0.000 0.000 0.212 68 G C 0.376 175.014 174.900 -0.435 0.000 1.137 68 G CA 0.155 45.067 45.100 -0.314 0.000 0.787 68 G HN 0.734 nan 8.290 nan 0.000 0.534 69 Y N -0.191 120.074 120.300 -0.058 0.000 2.493 69 Y HA 0.265 4.815 4.550 0.000 0.000 0.275 69 Y C 0.281 176.125 175.900 -0.093 0.000 1.183 69 Y CA -0.704 57.351 58.100 -0.076 0.000 1.258 69 Y CB 0.652 39.111 38.460 -0.000 0.000 1.108 69 Y HN 0.016 nan 8.280 nan 0.000 0.521 70 D N -1.195 119.206 120.400 0.002 0.000 2.408 70 D HA 0.073 4.713 4.640 0.000 0.000 0.243 70 D C 0.108 176.355 176.300 -0.088 0.000 1.075 70 D CA -0.805 53.215 54.000 0.033 0.000 0.832 70 D CB 0.728 41.590 40.800 0.103 0.000 1.162 70 D HN 0.122 nan 8.370 nan 0.000 0.515 71 W N 2.041 123.254 121.300 -0.146 0.000 2.350 71 W HA -0.085 4.576 4.660 0.000 0.000 0.289 71 W C 0.612 176.820 176.519 -0.519 0.000 1.215 71 W CA 0.701 57.827 57.345 -0.366 0.000 1.236 71 W CB -0.168 28.953 29.460 -0.565 0.000 1.130 71 W HN 0.507 nan 8.180 nan 0.000 0.541 72 D N -1.239 119.077 120.400 -0.140 0.000 3.908 72 D HA -0.233 4.407 4.640 0.000 0.000 0.237 72 D C -1.557 174.675 176.300 -0.113 0.000 1.091 72 D CA 0.502 54.467 54.000 -0.059 0.000 1.147 72 D CB -1.358 39.438 40.800 -0.006 0.000 0.857 72 D HN 0.102 nan 8.370 nan 0.000 0.410 73 Y N 3.332 123.768 120.300 0.227 0.000 2.491 73 Y HA 0.381 4.931 4.550 0.000 0.000 0.334 73 Y C -1.570 174.438 175.900 0.180 0.000 0.969 73 Y CA -2.255 55.954 58.100 0.182 0.000 1.241 73 Y CB 1.048 39.609 38.460 0.168 0.000 1.105 73 Y HN 0.123 nan 8.280 nan 0.000 0.503 74 P HA 0.129 nan 4.420 nan 0.000 0.272 74 P C -0.048 177.368 177.300 0.193 0.000 1.230 74 P CA -0.076 63.136 63.100 0.187 0.000 0.788 74 P CB 1.533 33.300 31.700 0.111 0.000 0.949 75 I N -1.841 118.831 120.570 0.170 0.000 2.664 75 I HA 0.435 4.605 4.170 0.000 0.000 0.308 75 I C 0.370 176.540 176.117 0.088 0.000 0.984 75 I CA -1.136 60.259 61.300 0.159 0.000 1.213 75 I CB 0.789 38.930 38.000 0.235 0.000 1.379 75 I HN 0.084 nan 8.210 nan 0.000 0.501 76 E N 3.190 123.425 120.200 0.059 0.000 2.422 76 E HA 0.190 4.540 4.350 0.000 0.000 0.260 76 E C -2.270 174.353 176.600 0.039 0.000 1.108 76 E CA -1.684 54.735 56.400 0.031 0.000 0.943 76 E CB -0.313 29.393 29.700 0.010 0.000 0.961 76 E HN 0.453 nan 8.360 nan 0.000 0.443 77 P HA -0.072 nan 4.420 nan 0.000 0.261 77 P C -0.459 176.879 177.300 0.063 0.000 1.173 77 P CA 0.560 63.677 63.100 0.028 0.000 0.760 77 P CB 0.380 32.087 31.700 0.011 0.000 0.783 78 Q N 2.828 122.692 119.800 0.106 0.000 2.278 78 Q HA 0.100 4.440 4.340 0.000 0.000 0.257 78 Q C 1.114 177.194 176.000 0.134 0.000 0.928 78 Q CA -0.146 55.747 55.803 0.150 0.000 0.932 78 Q CB 1.180 30.076 28.738 0.264 0.000 1.221 78 Q HN 0.509 nan 8.270 nan 0.000 0.434 79 E N 1.408 121.675 120.200 0.111 0.000 2.077 79 E HA -0.184 4.167 4.350 0.000 0.000 0.193 79 E C 0.578 177.252 176.600 0.124 0.000 0.989 79 E CA 1.027 57.486 56.400 0.098 0.000 0.800 79 E CB 0.220 29.965 29.700 0.076 0.000 0.746 79 E HN 0.329 nan 8.360 nan 0.000 0.452 80 N N -0.245 118.558 118.700 0.171 0.000 2.433 80 N HA 0.187 4.927 4.740 0.000 0.000 0.270 80 N C -0.883 174.806 175.510 0.299 0.000 1.354 80 N CA 0.069 53.237 53.050 0.195 0.000 0.889 80 N CB 1.227 39.833 38.487 0.198 0.000 1.285 80 N HN 0.158 nan 8.380 nan 0.000 0.503 81 G N -0.481 108.517 108.800 0.330 0.000 2.782 81 G HA2 0.185 4.145 3.960 0.000 0.000 0.304 81 G HA3 0.185 4.145 3.960 0.000 0.000 0.304 81 G C -1.567 173.563 174.900 0.383 0.000 1.315 81 G CA -0.671 44.740 45.100 0.518 0.000 0.791 81 G HN 0.193 nan 8.290 nan 0.000 0.519 82 N N 0.092 119.006 118.700 0.356 0.000 2.500 82 N HA 0.303 5.044 4.740 0.000 0.000 0.236 82 N C 1.005 176.597 175.510 0.135 0.000 1.022 82 N CA -0.139 52.956 53.050 0.075 0.000 0.935 82 N CB 1.330 39.603 38.487 -0.355 0.000 1.147 82 N HN 0.157 nan 8.380 nan 0.000 0.512 83 S N 2.437 118.243 115.700 0.178 0.000 2.507 83 S HA -0.013 4.457 4.470 0.000 0.000 0.235 83 S C 0.875 175.464 174.600 -0.017 0.000 0.988 83 S CA 0.559 58.803 58.200 0.074 0.000 0.944 83 S CB -0.340 62.856 63.200 -0.006 0.000 0.762 83 S HN 0.598 nan 8.310 nan 0.000 0.526 84 F N 1.020 120.979 119.950 0.015 0.000 2.780 84 F HA 0.302 4.829 4.527 0.000 0.000 0.299 84 F C 1.090 176.877 175.800 -0.021 0.000 1.146 84 F CA 0.007 58.004 58.000 -0.004 0.000 1.428 84 F CB -0.212 38.773 39.000 -0.026 0.000 1.115 84 F HN 0.176 nan 8.300 nan 0.000 0.583 85 M N 1.194 120.856 119.600 0.104 0.000 2.248 85 M HA 0.224 4.704 4.480 0.000 0.000 0.337 85 M C -0.336 176.006 176.300 0.070 0.000 1.121 85 M CA 0.523 55.832 55.300 0.014 0.000 1.155 85 M CB 0.559 33.091 32.600 -0.112 0.000 1.514 85 M HN -0.008 nan 8.290 nan 0.000 0.452 86 R N 2.578 123.121 120.500 0.071 0.000 2.561 86 R HA 0.335 4.675 4.340 0.000 0.000 0.297 86 R C -1.072 175.337 176.300 0.182 0.000 0.969 86 R CA -0.863 55.330 56.100 0.154 0.000 0.879 86 R CB 1.340 31.741 30.300 0.169 0.000 1.178 86 R HN 0.648 nan 8.270 nan 0.000 0.445 87 H N 1.975 121.241 119.070 0.326 0.000 3.109 87 H HA 0.150 4.706 4.556 0.000 0.000 0.266 87 H C 0.032 175.620 175.328 0.433 0.000 1.334 87 H CA -0.130 56.164 56.048 0.409 0.000 1.456 87 H CB 0.618 30.587 29.762 0.346 0.000 1.587 87 H HN 0.646 nan 8.280 nan 0.000 0.500 88 A N 5.196 128.328 122.820 0.520 0.000 2.520 88 A HA 0.271 4.591 4.320 0.000 0.000 0.245 88 A C 0.424 178.301 177.584 0.489 0.000 1.072 88 A CA -0.021 52.245 52.037 0.383 0.000 0.761 88 A CB 0.308 19.402 19.000 0.156 0.000 1.004 88 A HN 0.578 nan 8.150 nan 0.000 0.499 89 R N 1.120 121.853 120.500 0.390 0.000 2.533 89 R HA 0.513 4.853 4.340 0.000 0.000 0.288 89 R C -0.469 175.949 176.300 0.198 0.000 1.039 89 R CA -0.309 55.963 56.100 0.287 0.000 0.909 89 R CB 1.744 32.303 30.300 0.431 0.000 1.195 89 R HN 0.901 nan 8.270 nan 0.000 0.438 90 A N 2.658 125.354 122.820 -0.208 0.000 2.440 90 A HA 0.224 4.544 4.320 0.000 0.000 0.251 90 A C 0.022 177.685 177.584 0.131 0.000 1.089 90 A CA 0.031 51.995 52.037 -0.120 0.000 0.779 90 A CB 0.312 19.127 19.000 -0.309 0.000 1.022 90 A HN 0.573 nan 8.150 nan 0.000 0.492 91 K N 2.293 122.653 120.400 -0.067 0.000 2.540 91 K HA 0.544 4.864 4.320 0.000 0.000 0.218 91 K C -1.429 175.150 176.600 -0.035 0.000 1.017 91 K CA -0.198 55.925 56.287 -0.273 0.000 1.029 91 K CB 0.774 32.646 32.500 -1.047 0.000 1.348 91 K HN 0.702 nan 8.250 nan 0.000 0.508 92 V N 3.552 123.505 119.914 0.065 0.000 3.002 92 V HA 0.139 4.259 4.120 0.000 0.000 0.259 92 V C -1.382 174.761 176.094 0.081 0.000 1.748 92 V CA -1.028 61.330 62.300 0.097 0.000 0.954 92 V CB 1.933 33.814 31.823 0.096 0.000 1.323 92 V HN 0.629 nan 8.190 nan 0.000 0.458 93 M N 3.403 123.050 119.600 0.078 0.000 2.248 93 M HA 0.312 4.792 4.480 0.000 0.000 0.343 93 M C 1.519 177.854 176.300 0.058 0.000 1.243 93 M CA 1.946 57.292 55.300 0.077 0.000 1.025 93 M CB -0.249 32.402 32.600 0.085 0.000 1.759 93 M HN 1.671 nan 8.290 nan 0.000 0.452 94 G N 2.083 110.915 108.800 0.052 0.000 2.241 94 G HA2 -0.152 3.808 3.960 0.000 0.000 0.244 94 G HA3 -0.152 3.808 3.960 0.000 0.000 0.244 94 G C 0.817 175.740 174.900 0.038 0.000 0.998 94 G CA 0.437 45.556 45.100 0.033 0.000 0.621 94 G HN 1.522 nan 8.290 nan 0.000 0.519 95 G N -0.850 107.980 108.800 0.050 0.000 2.582 95 G HA2 -0.269 3.691 3.960 0.000 0.000 0.288 95 G HA3 -0.269 3.691 3.960 0.000 0.000 0.288 95 G C 1.346 176.235 174.900 -0.019 0.000 1.247 95 G CA 1.404 46.533 45.100 0.047 0.000 0.972 95 G HN 1.420 nan 8.290 nan 0.000 0.557 96 C N 1.403 120.676 119.300 -0.045 0.000 2.422 96 C HA 0.137 4.597 4.460 0.000 0.000 0.286 96 C C 3.289 178.328 174.990 0.082 0.000 1.412 96 C CA 2.050 61.014 59.018 -0.090 0.000 1.786 96 C CB -1.633 26.102 27.740 -0.007 0.000 1.835 96 C HN 1.173 nan 8.230 nan 0.000 0.533 97 S N 0.120 115.853 115.700 0.054 0.000 2.474 97 S HA -0.081 4.389 4.470 0.000 0.000 0.235 97 S C 1.512 176.138 174.600 0.043 0.000 0.997 97 S CA 1.565 59.794 58.200 0.048 0.000 0.949 97 S CB -0.350 62.874 63.200 0.040 0.000 0.766 97 S HN 0.560 nan 8.310 nan 0.000 0.517 98 S N 0.654 116.385 115.700 0.052 0.000 2.535 98 S HA 0.138 4.608 4.470 0.000 0.000 0.214 98 S C 1.172 175.847 174.600 0.124 0.000 0.980 98 S CA 0.300 58.529 58.200 0.048 0.000 0.907 98 S CB -0.210 62.997 63.200 0.012 0.000 0.790 98 S HN 1.024 nan 8.310 nan 0.000 0.510 99 H N 0.248 119.335 119.070 0.028 0.000 3.058 99 H HA 0.339 4.895 4.556 0.000 0.000 0.266 99 H C 0.518 175.897 175.328 0.085 0.000 1.135 99 H CA -0.463 55.633 56.048 0.080 0.000 1.174 99 H CB 0.168 29.987 29.762 0.096 0.000 1.581 99 H HN 0.294 nan 8.280 nan 0.000 0.553 100 N N 1.036 119.796 118.700 0.100 0.000 2.495 100 N HA -0.019 4.721 4.740 0.000 0.000 0.294 100 N C 0.911 175.980 175.510 -0.734 0.000 1.276 100 N CA 0.088 52.970 53.050 -0.280 0.000 0.973 100 N CB 0.788 39.225 38.487 -0.082 0.000 1.143 100 N HN 0.201 nan 8.380 nan 0.000 0.589 101 S N -2.851 112.209 115.700 -1.067 0.000 2.605 101 S HA 0.103 4.573 4.470 0.000 0.000 0.217 101 S C 0.250 174.554 174.600 -0.492 0.000 0.958 101 S CA -0.281 57.190 58.200 -1.216 0.000 0.919 101 S CB -1.394 61.087 63.200 -1.199 0.000 0.780 101 S HN 0.650 nan 8.310 nan 0.000 0.507 102 C N 0.903 120.007 119.300 -0.326 0.000 4.331 102 C HA -0.171 4.289 4.460 0.000 0.000 0.293 102 C C 0.531 175.410 174.990 -0.185 0.000 1.436 102 C CA -0.178 58.733 59.018 -0.179 0.000 1.993 102 C CB -2.868 24.804 27.740 -0.114 0.000 1.266 102 C HN 0.750 nan 8.230 nan 0.000 0.795 103 I N 1.105 121.520 120.570 -0.257 0.000 2.533 103 I HA 0.346 4.516 4.170 0.000 0.000 0.284 103 I C 0.729 176.693 176.117 -0.257 0.000 1.109 103 I CA 0.789 61.859 61.300 -0.382 0.000 1.412 103 I CB 0.583 38.231 38.000 -0.586 0.000 1.396 103 I HN 0.462 nan 8.210 nan 0.000 0.543 104 A N 7.895 130.525 122.820 -0.316 0.000 2.311 104 A HA 0.756 5.076 4.320 0.000 0.000 0.306 104 A C -1.017 176.384 177.584 -0.306 0.000 1.189 104 A CA -0.284 51.641 52.037 -0.187 0.000 0.791 104 A CB 0.322 19.262 19.000 -0.099 0.000 1.172 104 A HN 0.571 nan 8.150 nan 0.000 0.481 105 F N 1.172 121.125 119.950 0.005 0.000 2.556 105 F HA 0.529 5.057 4.527 0.000 0.000 0.314 105 F C -0.543 175.262 175.800 0.008 0.000 1.106 105 F CA -0.478 57.542 58.000 0.033 0.000 0.911 105 F CB 1.630 40.625 39.000 -0.007 0.000 1.190 105 F HN 0.631 nan 8.300 nan 0.000 0.448 106 W N 2.649 123.843 121.300 -0.176 0.000 2.181 106 W HA 0.514 5.174 4.660 0.000 0.000 0.335 106 W C 0.217 176.621 176.519 -0.192 0.000 1.310 106 W CA -0.763 56.206 57.345 -0.625 0.000 1.226 106 W CB 0.105 29.092 29.460 -0.788 0.000 1.155 106 W HN 0.533 nan 8.180 nan 0.000 0.565 107 A N 5.343 128.232 122.820 0.114 0.000 2.371 107 A HA 0.482 4.802 4.320 0.000 0.000 0.257 107 A C -2.173 175.586 177.584 0.293 0.000 1.089 107 A CA -1.330 50.837 52.037 0.217 0.000 0.794 107 A CB -0.469 18.673 19.000 0.237 0.000 1.029 107 A HN 0.409 nan 8.150 nan 0.000 0.488 108 P HA 0.001 nan 4.420 nan 0.000 0.264 108 P C 0.759 178.207 177.300 0.247 0.000 1.183 108 P CA 0.028 63.249 63.100 0.202 0.000 0.763 108 P CB 0.474 32.228 31.700 0.089 0.000 0.807 109 R N 2.686 123.338 120.500 0.253 0.000 2.159 109 R HA -0.198 4.142 4.340 0.000 0.000 0.237 109 R C 0.826 177.107 176.300 -0.033 0.000 1.131 109 R CA 1.653 57.756 56.100 0.005 0.000 0.982 109 R CB -0.660 29.480 30.300 -0.267 0.000 0.868 109 R HN 0.338 nan 8.270 nan 0.000 0.453 110 E N 1.128 121.332 120.200 0.007 0.000 2.152 110 E HA -0.103 4.247 4.350 0.000 0.000 0.192 110 E C 1.438 178.055 176.600 0.027 0.000 0.983 110 E CA 1.227 57.627 56.400 -0.000 0.000 0.818 110 E CB -0.073 29.630 29.700 0.004 0.000 0.758 110 E HN 0.370 nan 8.360 nan 0.000 0.467 111 D N 0.454 120.888 120.400 0.056 0.000 2.084 111 D HA -0.115 4.525 4.640 0.000 0.000 0.194 111 D C 2.004 178.215 176.300 -0.148 0.000 0.990 111 D CA 0.915 54.965 54.000 0.084 0.000 0.826 111 D CB -0.166 40.728 40.800 0.156 0.000 0.971 111 D HN 0.167 nan 8.370 nan 0.000 0.453 112 L N 0.911 121.974 121.223 -0.267 0.000 2.056 112 L HA -0.153 4.187 4.340 0.000 0.000 0.207 112 L C 1.982 178.732 176.870 -0.200 0.000 1.078 112 L CA 0.966 55.501 54.840 -0.508 0.000 0.749 112 L CB -0.405 41.492 42.059 -0.269 0.000 0.901 112 L HN -0.086 nan 8.230 nan 0.000 0.433 113 D N 0.247 120.599 120.400 -0.080 0.000 2.178 113 D HA -0.176 4.464 4.640 0.000 0.000 0.201 113 D C 2.053 178.394 176.300 0.068 0.000 0.980 113 D CA 1.056 55.047 54.000 -0.014 0.000 0.842 113 D CB -0.021 40.749 40.800 -0.049 0.000 0.948 113 D HN 0.410 nan 8.370 nan 0.000 0.472 114 E N -0.551 119.715 120.200 0.109 0.000 2.274 114 E HA -0.133 4.217 4.350 0.000 0.000 0.194 114 E C 1.803 178.658 176.600 0.425 0.000 0.996 114 E CA 0.206 56.720 56.400 0.190 0.000 0.840 114 E CB -0.015 29.824 29.700 0.232 0.000 0.772 114 E HN 0.360 nan 8.360 nan 0.000 0.491 115 W N 1.553 122.992 121.300 0.233 0.000 2.338 115 W HA -0.167 4.493 4.660 0.000 0.000 0.304 115 W C 2.213 178.847 176.519 0.190 0.000 1.212 115 W CA 1.028 58.526 57.345 0.256 0.000 1.264 115 W CB -0.780 28.800 29.460 0.200 0.000 1.142 115 W HN 0.204 nan 8.180 nan 0.000 0.512 116 E N -0.297 120.138 120.200 0.391 0.000 2.033 116 E HA -0.070 4.280 4.350 0.000 0.000 0.189 116 E C 2.252 178.924 176.600 0.119 0.000 0.979 116 E CA 1.362 57.904 56.400 0.237 0.000 0.802 116 E CB -0.283 29.536 29.700 0.198 0.000 0.763 116 E HN 0.003 nan 8.360 nan 0.000 0.449 117 A N 0.736 123.601 122.820 0.074 0.000 1.968 117 A HA -0.071 4.249 4.320 0.000 0.000 0.217 117 A C 2.031 179.564 177.584 -0.084 0.000 1.169 117 A CA 1.234 53.268 52.037 -0.004 0.000 0.638 117 A CB -0.090 18.901 19.000 -0.015 0.000 0.812 117 A HN 0.111 nan 8.150 nan 0.000 0.446 118 K N -2.378 117.912 120.400 -0.183 0.000 2.306 118 K HA 0.151 4.471 4.320 0.000 0.000 0.200 118 K C 0.599 176.893 176.600 -0.511 0.000 1.083 118 K CA 0.603 56.605 56.287 -0.474 0.000 0.959 118 K CB 0.244 32.173 32.500 -0.951 0.000 0.994 118 K HN 0.592 nan 8.250 nan 0.000 0.492 119 Y N -0.353 119.971 120.300 0.040 0.000 2.507 119 Y HA 0.211 4.761 4.550 0.000 0.000 0.254 119 Y C 1.096 176.979 175.900 -0.028 0.000 1.171 119 Y CA 0.065 58.153 58.100 -0.021 0.000 1.238 119 Y CB 1.372 39.791 38.460 -0.068 0.000 1.148 119 Y HN 0.243 nan 8.280 nan 0.000 0.525 120 G N 0.711 109.566 108.800 0.092 0.000 2.179 120 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 120 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 120 G C 0.467 175.422 174.900 0.092 0.000 0.977 120 G CA 0.062 45.202 45.100 0.066 0.000 0.641 120 G HN 0.548 nan 8.290 nan 0.000 0.533 121 A N 1.402 124.306 122.820 0.140 0.000 3.037 121 A HA 0.596 4.917 4.320 0.000 0.000 0.272 121 A C 1.062 178.842 177.584 0.326 0.000 1.723 121 A CA 0.951 53.099 52.037 0.185 0.000 1.413 121 A CB -0.505 18.558 19.000 0.105 0.000 1.112 121 A HN 0.919 nan 8.150 nan 0.000 0.606 122 T N 0.929 115.617 114.554 0.224 0.000 2.777 122 T HA 0.261 4.611 4.350 0.000 0.000 0.273 122 T C 1.597 176.434 174.700 0.227 0.000 1.016 122 T CA 1.764 63.976 62.100 0.186 0.000 1.156 122 T CB 0.084 69.024 68.868 0.119 0.000 1.019 122 T HN 1.803 nan 8.240 nan 0.000 0.503 123 G N 2.693 111.576 108.800 0.138 0.000 2.176 123 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 123 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 123 G C -0.101 174.756 174.900 -0.072 0.000 0.979 123 G CA -0.363 44.743 45.100 0.010 0.000 0.641 123 G HN 0.727 nan 8.290 nan 0.000 0.530 124 W N 2.394 123.757 121.300 0.106 0.000 2.317 124 W HA 0.630 5.290 4.660 0.000 0.000 0.327 124 W C 0.420 177.004 176.519 0.109 0.000 1.036 124 W CA -0.067 57.373 57.345 0.159 0.000 1.419 124 W CB 0.525 30.188 29.460 0.337 0.000 1.253 124 W HN 0.562 nan 8.180 nan 0.000 0.392 125 N N 0.287 119.063 118.700 0.126 0.000 3.106 125 N HA 0.545 5.285 4.740 0.000 0.000 0.253 125 N C 0.329 175.811 175.510 -0.046 0.000 1.506 125 N CA -0.428 52.638 53.050 0.026 0.000 0.876 125 N CB 0.376 38.865 38.487 0.003 0.000 1.452 125 N HN 0.084 nan 8.380 nan 0.000 0.542 126 A N -0.286 122.460 122.820 -0.123 0.000 1.972 126 A HA -0.121 4.199 4.320 0.000 0.000 0.219 126 A C 1.554 179.044 177.584 -0.156 0.000 1.169 126 A CA 1.459 53.370 52.037 -0.210 0.000 0.635 126 A CB -0.931 17.676 19.000 -0.656 0.000 0.810 126 A HN 0.768 nan 8.150 nan 0.000 0.446 127 E N -0.341 119.768 120.200 -0.152 0.000 2.153 127 E HA -0.142 4.208 4.350 0.000 0.000 0.194 127 E C 2.227 178.803 176.600 -0.041 0.000 0.988 127 E CA 0.964 57.309 56.400 -0.091 0.000 0.811 127 E CB -0.221 29.426 29.700 -0.088 0.000 0.746 127 E HN 0.661 nan 8.360 nan 0.000 0.466 128 A N 1.018 123.790 122.820 -0.081 0.000 1.930 128 A HA 0.074 4.394 4.320 0.000 0.000 0.215 128 A C 2.274 179.777 177.584 -0.136 0.000 1.176 128 A CA 1.284 53.231 52.037 -0.149 0.000 0.632 128 A CB -0.246 18.583 19.000 -0.286 0.000 0.819 128 A HN 0.271 nan 8.150 nan 0.000 0.445 129 A N -1.626 121.157 122.820 -0.063 0.000 1.935 129 A HA -0.035 4.285 4.320 0.000 0.000 0.214 129 A C 2.094 179.643 177.584 -0.058 0.000 1.178 129 A CA 0.731 52.670 52.037 -0.165 0.000 0.640 129 A CB -0.823 18.092 19.000 -0.141 0.000 0.825 129 A HN 0.744 nan 8.150 nan 0.000 0.447 130 W N 0.555 121.806 121.300 -0.082 0.000 2.318 130 W HA -0.153 4.507 4.660 0.000 0.000 0.313 130 W C -0.870 175.664 176.519 0.025 0.000 1.221 130 W CA 1.913 59.322 57.345 0.107 0.000 1.266 130 W CB -1.108 28.496 29.460 0.239 0.000 1.150 130 W HN 0.304 nan 8.180 nan 0.000 0.496 131 P HA -0.140 nan 4.420 nan 0.000 0.221 131 P C 1.567 178.854 177.300 -0.023 0.000 1.150 131 P CA 1.511 64.664 63.100 0.088 0.000 0.800 131 P CB -0.326 31.408 31.700 0.057 0.000 0.787 132 L N -2.785 118.359 121.223 -0.132 0.000 2.131 132 L HA -0.109 4.231 4.340 0.000 0.000 0.206 132 L C 2.443 179.180 176.870 -0.221 0.000 1.087 132 L CA 1.251 55.977 54.840 -0.191 0.000 0.767 132 L CB -1.007 40.893 42.059 -0.265 0.000 0.917 132 L HN -0.023 nan 8.230 nan 0.000 0.441 133 Y N 0.505 120.552 120.300 -0.421 0.000 2.224 133 Y HA -0.303 4.247 4.550 0.000 0.000 0.289 133 Y C 2.833 178.482 175.900 -0.418 0.000 1.146 133 Y CA 1.207 58.866 58.100 -0.735 0.000 1.182 133 Y CB -0.062 37.263 38.460 -1.892 0.000 0.983 133 Y HN 0.114 nan 8.280 nan 0.000 0.524 134 K N 0.783 121.147 120.400 -0.060 0.000 2.025 134 K HA -0.225 4.096 4.320 0.000 0.000 0.207 134 K C 2.290 178.924 176.600 0.056 0.000 1.049 134 K CA 1.268 57.623 56.287 0.113 0.000 0.933 134 K CB -0.150 32.446 32.500 0.159 0.000 0.714 134 K HN 0.138 nan 8.250 nan 0.000 0.438 135 R N 0.768 121.279 120.500 0.017 0.000 2.105 135 R HA -0.144 4.197 4.340 0.000 0.000 0.239 135 R C 2.317 178.627 176.300 0.016 0.000 1.135 135 R CA 1.703 57.811 56.100 0.014 0.000 0.967 135 R CB -0.256 30.045 30.300 0.002 0.000 0.861 135 R HN 0.302 nan 8.270 nan 0.000 0.442 136 L N -0.398 120.837 121.223 0.019 0.000 2.341 136 L HA 0.139 4.480 4.340 0.000 0.000 0.214 136 L C 0.367 177.230 176.870 -0.012 0.000 1.115 136 L CA 0.620 55.478 54.840 0.031 0.000 0.820 136 L CB -0.351 41.769 42.059 0.102 0.000 0.944 136 L HN 0.070 nan 8.230 nan 0.000 0.452 137 E N -0.300 119.909 120.200 0.014 0.000 2.214 137 E HA 0.451 4.801 4.350 0.000 0.000 0.274 137 E C -0.940 175.640 176.600 -0.033 0.000 0.977 137 E CA -0.785 55.622 56.400 0.013 0.000 0.827 137 E CB 1.167 30.916 29.700 0.083 0.000 1.130 137 E HN 0.019 nan 8.360 nan 0.000 0.394 138 T N 2.850 117.341 114.554 -0.106 0.000 2.821 138 T HA 0.231 4.581 4.350 0.000 0.000 0.307 138 T C -0.694 173.880 174.700 -0.209 0.000 1.034 138 T CA -0.735 61.234 62.100 -0.218 0.000 0.953 138 T CB 0.185 68.757 68.868 -0.493 0.000 0.968 138 T HN 0.386 nan 8.240 nan 0.000 0.462 139 N N 2.337 120.926 118.700 -0.185 0.000 2.421 139 N HA 0.125 4.865 4.740 0.000 0.000 0.285 139 N C 1.087 176.434 175.510 -0.271 0.000 1.027 139 N CA -0.368 52.526 53.050 -0.260 0.000 0.918 139 N CB 1.684 39.900 38.487 -0.453 0.000 1.152 139 N HN 0.667 nan 8.380 nan 0.000 0.485 140 E N 1.941 122.005 120.200 -0.227 0.000 2.187 140 E HA -0.219 4.131 4.350 0.000 0.000 0.199 140 E C -0.222 176.266 176.600 -0.186 0.000 1.004 140 E CA 1.446 57.741 56.400 -0.174 0.000 0.813 140 E CB 0.316 29.939 29.700 -0.128 0.000 0.736 140 E HN 0.530 nan 8.360 nan 0.000 0.468 141 D N -0.157 120.071 120.400 -0.288 0.000 2.340 141 D HA 0.108 4.748 4.640 0.000 0.000 0.220 141 D C -0.079 176.140 176.300 -0.136 0.000 1.039 141 D CA 0.330 54.206 54.000 -0.208 0.000 0.866 141 D CB 0.132 40.817 40.800 -0.192 0.000 0.913 141 D HN 0.185 nan 8.370 nan 0.000 0.523 142 A N 0.275 122.989 122.820 -0.177 0.000 2.483 142 A HA 0.550 4.870 4.320 0.000 0.000 0.238 142 A C 0.964 178.527 177.584 -0.035 0.000 1.070 142 A CA 0.750 52.748 52.037 -0.065 0.000 0.770 142 A CB 0.360 19.319 19.000 -0.069 0.000 1.008 142 A HN 0.261 nan 8.150 nan 0.000 0.497 143 G N 0.369 109.164 108.800 -0.009 0.000 2.337 143 G HA2 0.395 4.355 3.960 0.000 0.000 0.298 143 G HA3 0.395 4.355 3.960 0.000 0.000 0.298 143 G C -2.718 172.188 174.900 0.011 0.000 1.335 143 G CA 0.050 45.147 45.100 -0.004 0.000 0.875 143 G HN 0.365 nan 8.290 nan 0.000 0.579 144 P HA 0.077 nan 4.420 nan 0.000 0.226 144 P C 0.897 178.213 177.300 0.026 0.000 1.153 144 P CA 1.593 64.704 63.100 0.019 0.000 0.777 144 P CB 0.062 31.770 31.700 0.012 0.000 0.794 145 D N -0.715 119.699 120.400 0.024 0.000 2.339 145 D HA 0.158 4.798 4.640 0.000 0.000 0.217 145 D C 0.466 176.796 176.300 0.051 0.000 1.050 145 D CA -0.225 53.792 54.000 0.029 0.000 0.856 145 D CB -0.219 40.592 40.800 0.018 0.000 0.922 145 D HN 0.066 nan 8.370 nan 0.000 0.518 146 A N 1.336 124.193 122.820 0.060 0.000 3.453 146 A HA 0.378 4.698 4.320 0.000 0.000 0.262 146 A C -2.157 175.448 177.584 0.035 0.000 1.026 146 A CA -0.795 51.299 52.037 0.095 0.000 0.938 146 A CB 0.960 20.030 19.000 0.116 0.000 1.246 146 A HN -0.058 nan 8.150 nan 0.000 0.546 147 P HA -0.130 nan 4.420 nan 0.000 0.237 147 P C 1.031 178.389 177.300 0.096 0.000 1.178 147 P CA 1.008 64.153 63.100 0.075 0.000 0.766 147 P CB -0.266 31.486 31.700 0.087 0.000 0.876 148 H N -2.439 116.626 119.070 -0.009 0.000 2.462 148 H HA -0.006 4.550 4.556 0.000 0.000 0.292 148 H C 0.525 175.900 175.328 0.078 0.000 1.049 148 H CA 0.552 56.619 56.048 0.033 0.000 1.334 148 H CB -1.448 28.257 29.762 -0.095 0.000 1.404 148 H HN 0.158 nan 8.280 nan 0.000 0.544 149 H N 1.191 119.883 119.070 -0.630 0.000 2.707 149 H HA 0.299 4.855 4.556 0.000 0.000 0.359 149 H C 0.636 175.930 175.328 -0.057 0.000 1.113 149 H CA 0.546 56.382 56.048 -0.354 0.000 1.422 149 H CB 0.888 30.385 29.762 -0.443 0.000 1.443 149 H HN 0.463 nan 8.280 nan 0.000 0.591 150 G N 0.623 109.541 108.800 0.197 0.000 2.444 150 G HA2 0.158 4.118 3.960 0.000 0.000 0.268 150 G HA3 0.158 4.118 3.960 0.000 0.000 0.268 150 G C 0.239 175.143 174.900 0.008 0.000 1.203 150 G CA -0.511 44.642 45.100 0.089 0.000 0.835 150 G HN 0.722 nan 8.290 nan 0.000 0.543 151 D N -1.103 119.286 120.400 -0.019 0.000 2.469 151 D HA 0.114 4.754 4.640 0.000 0.000 0.215 151 D C 1.083 177.334 176.300 -0.081 0.000 1.154 151 D CA -0.075 53.886 54.000 -0.064 0.000 0.832 151 D CB 0.749 41.519 40.800 -0.050 0.000 1.008 151 D HN 0.200 nan 8.370 nan 0.000 0.506 152 S N -0.851 114.813 115.700 -0.060 0.000 2.817 152 S HA 0.386 4.856 4.470 0.000 0.000 0.262 152 S C 0.931 175.504 174.600 -0.045 0.000 1.051 152 S CA -0.241 57.928 58.200 -0.052 0.000 1.185 152 S CB 1.301 64.486 63.200 -0.024 0.000 1.152 152 S HN 0.435 nan 8.310 nan 0.000 0.653 153 G N 2.841 111.611 108.800 -0.050 0.000 2.606 153 G HA2 0.362 4.322 3.960 0.000 0.000 0.252 153 G HA3 0.362 4.322 3.960 0.000 0.000 0.252 153 G C -1.505 173.366 174.900 -0.047 0.000 1.206 153 G CA -1.011 44.062 45.100 -0.046 0.000 0.861 153 G HN 0.058 nan 8.290 nan 0.000 0.561 154 P HA -0.019 nan 4.420 nan 0.000 0.225 154 P C 0.434 177.659 177.300 -0.124 0.000 1.156 154 P CA 0.371 63.361 63.100 -0.183 0.000 0.787 154 P CB 0.242 31.653 31.700 -0.481 0.000 0.802 155 V N 2.562 122.403 119.914 -0.122 0.000 2.368 155 V HA 0.128 4.248 4.120 0.000 0.000 0.266 155 V C 0.136 176.309 176.094 0.131 0.000 1.045 155 V CA -0.498 61.775 62.300 -0.045 0.000 0.899 155 V CB -0.552 31.228 31.823 -0.071 0.000 1.006 155 V HN 0.084 nan 8.190 nan 0.000 0.470 156 H N 5.145 124.153 119.070 -0.103 0.000 2.742 156 H HA 0.495 5.051 4.556 0.000 0.000 0.302 156 H C -0.178 175.110 175.328 -0.066 0.000 1.069 156 H CA -0.488 55.513 56.048 -0.079 0.000 1.446 156 H CB 0.592 30.311 29.762 -0.073 0.000 1.462 156 H HN 0.466 nan 8.280 nan 0.000 0.499 157 L N 5.150 126.376 121.223 0.006 0.000 2.322 157 L HA 0.497 4.837 4.340 0.000 0.000 0.281 157 L C 0.152 176.989 176.870 -0.054 0.000 1.014 157 L CA -0.698 54.127 54.840 -0.024 0.000 0.815 157 L CB 1.095 43.132 42.059 -0.036 0.000 1.247 157 L HN 0.587 nan 8.230 nan 0.000 0.421 158 M N 1.138 120.719 119.600 -0.032 0.000 2.644 158 M HA 0.562 5.042 4.480 0.000 0.000 0.304 158 M C -1.030 175.259 176.300 -0.020 0.000 1.215 158 M CA -0.826 54.452 55.300 -0.038 0.000 0.871 158 M CB 2.002 34.589 32.600 -0.021 0.000 1.740 158 M HN 0.280 nan 8.290 nan 0.000 0.464 159 N N 1.363 120.047 118.700 -0.027 0.000 2.520 159 N HA 0.264 5.004 4.740 0.000 0.000 0.273 159 N C -0.810 174.701 175.510 0.002 0.000 1.155 159 N CA -0.298 52.754 53.050 0.003 0.000 0.967 159 N CB 1.668 40.142 38.487 -0.022 0.000 1.092 159 N HN 0.532 nan 8.380 nan 0.000 0.457 160 V N 4.599 124.548 119.914 0.059 0.000 2.485 160 V HA 0.070 4.190 4.120 0.000 0.000 0.287 160 V C -1.780 174.217 176.094 -0.162 0.000 1.022 160 V CA -1.007 61.304 62.300 0.019 0.000 1.067 160 V CB 0.168 32.102 31.823 0.184 0.000 0.967 160 V HN 0.527 nan 8.190 nan 0.000 0.479 161 P HA 0.153 nan 4.420 nan 0.000 0.268 161 P C -2.338 174.600 177.300 -0.603 0.000 1.204 161 P CA -1.244 61.672 63.100 -0.305 0.000 0.768 161 P CB 0.011 31.590 31.700 -0.202 0.000 0.842 162 P HA 0.070 nan 4.420 nan 0.000 0.226 162 P C 0.323 177.301 177.300 -0.538 0.000 1.783 162 P CA 0.040 62.463 63.100 -1.129 0.000 0.980 162 P CB -0.203 31.102 31.700 -0.659 0.000 1.967 163 K N -0.572 119.581 120.400 -0.411 0.000 2.323 163 K HA 0.036 4.356 4.320 0.000 0.000 0.197 163 K C 0.449 176.991 176.600 -0.097 0.000 1.043 163 K CA -0.072 56.101 56.287 -0.190 0.000 0.997 163 K CB -0.014 32.398 32.500 -0.147 0.000 0.807 163 K HN -0.057 nan 8.250 nan 0.000 0.497 164 D N 3.061 123.425 120.400 -0.060 0.000 2.338 164 D HA 0.060 4.700 4.640 0.000 0.000 0.255 164 D C -1.406 174.872 176.300 -0.037 0.000 1.237 164 D CA -2.480 51.523 54.000 0.006 0.000 0.883 164 D CB 1.544 42.413 40.800 0.115 0.000 1.087 164 D HN 0.031 nan 8.370 nan 0.000 0.485 165 P HA -0.116 nan 4.420 nan 0.000 0.221 165 P C 1.077 178.122 177.300 -0.424 0.000 1.150 165 P CA 0.858 63.901 63.100 -0.095 0.000 0.800 165 P CB 0.216 31.994 31.700 0.130 0.000 0.787 166 T N -0.297 113.719 114.554 -0.896 0.000 2.746 166 T HA -0.068 4.282 4.350 0.000 0.000 0.267 166 T C 2.185 176.319 174.700 -0.943 0.000 1.039 166 T CA 1.761 63.016 62.100 -1.408 0.000 1.142 166 T CB -1.157 66.873 68.868 -1.397 0.000 0.866 166 T HN 0.191 nan 8.240 nan 0.000 0.444 167 G N 1.203 109.634 108.800 -0.616 0.000 2.421 167 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 167 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 167 G C 1.700 176.352 174.900 -0.414 0.000 1.171 167 G CA 0.860 45.600 45.100 -0.601 0.000 0.775 167 G HN 0.435 nan 8.290 nan 0.000 0.543 168 V N 1.623 121.468 119.914 -0.115 0.000 2.295 168 V HA -0.136 3.984 4.120 0.000 0.000 0.246 168 V C 3.343 179.341 176.094 -0.159 0.000 1.049 168 V CA 2.037 64.315 62.300 -0.037 0.000 1.024 168 V CB -0.950 30.888 31.823 0.024 0.000 0.648 168 V HN 0.475 nan 8.190 nan 0.000 0.447 169 A N -0.212 122.473 122.820 -0.225 0.000 1.908 169 A HA -0.216 4.104 4.320 0.000 0.000 0.218 169 A C 2.182 179.602 177.584 -0.274 0.000 1.181 169 A CA 2.189 54.109 52.037 -0.195 0.000 0.627 169 A CB -0.577 18.321 19.000 -0.171 0.000 0.818 169 A HN 0.469 nan 8.150 nan 0.000 0.445 170 L N -1.035 119.915 121.223 -0.455 0.000 2.056 170 L HA -0.079 4.261 4.340 0.000 0.000 0.207 170 L C 2.110 178.777 176.870 -0.337 0.000 1.078 170 L CA 1.421 55.979 54.840 -0.470 0.000 0.749 170 L CB -0.412 41.191 42.059 -0.761 0.000 0.901 170 L HN 0.242 nan 8.230 nan 0.000 0.433 171 L N -0.280 120.739 121.223 -0.340 0.000 2.046 171 L HA -0.213 4.127 4.340 0.000 0.000 0.208 171 L C 2.250 179.026 176.870 -0.156 0.000 1.077 171 L CA 1.596 56.289 54.840 -0.245 0.000 0.747 171 L CB -1.401 40.515 42.059 -0.239 0.000 0.896 171 L HN 0.322 nan 8.230 nan 0.000 0.432 172 D N -0.536 119.783 120.400 -0.134 0.000 2.123 172 D HA -0.160 4.480 4.640 0.000 0.000 0.196 172 D C 2.206 178.455 176.300 -0.084 0.000 0.992 172 D CA 1.467 55.414 54.000 -0.088 0.000 0.833 172 D CB -0.043 40.718 40.800 -0.065 0.000 0.954 172 D HN 0.330 nan 8.370 nan 0.000 0.455 173 A N 0.350 123.105 122.820 -0.108 0.000 1.898 173 A HA -0.177 4.143 4.320 0.000 0.000 0.216 173 A C 2.563 180.100 177.584 -0.079 0.000 1.181 173 A CA 1.233 53.216 52.037 -0.090 0.000 0.620 173 A CB -0.984 17.947 19.000 -0.116 0.000 0.819 173 A HN 0.335 nan 8.150 nan 0.000 0.442 174 C N -0.496 118.744 119.300 -0.100 0.000 2.388 174 C HA -0.177 4.284 4.460 0.000 0.000 0.277 174 C C 2.655 177.614 174.990 -0.052 0.000 1.210 174 C CA 1.412 60.383 59.018 -0.077 0.000 1.743 174 C CB -1.446 26.234 27.740 -0.101 0.000 2.047 174 C HN 0.701 nan 8.230 nan 0.000 0.458 175 E N -0.013 120.153 120.200 -0.057 0.000 2.114 175 E HA -0.309 4.041 4.350 0.000 0.000 0.199 175 E C 2.162 178.745 176.600 -0.029 0.000 1.008 175 E CA 1.573 57.949 56.400 -0.039 0.000 0.810 175 E CB -0.327 29.347 29.700 -0.042 0.000 0.739 175 E HN 0.709 nan 8.360 nan 0.000 0.456 176 Q N -0.287 119.494 119.800 -0.032 0.000 2.167 176 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 176 Q C 1.839 177.830 176.000 -0.016 0.000 0.970 176 Q CA 1.106 56.895 55.803 -0.022 0.000 0.855 176 Q CB 0.040 28.763 28.738 -0.024 0.000 0.911 176 Q HN 0.214 nan 8.270 nan 0.000 0.438 177 A N -0.168 122.642 122.820 -0.018 0.000 2.251 177 A HA 0.328 4.648 4.320 0.000 0.000 0.209 177 A C 1.326 178.909 177.584 -0.002 0.000 1.187 177 A CA 0.665 52.697 52.037 -0.008 0.000 0.823 177 A CB -0.220 18.774 19.000 -0.009 0.000 0.846 177 A HN 0.422 nan 8.150 nan 0.000 0.486 178 G N -0.802 107.994 108.800 -0.005 0.000 2.132 178 G HA2 -0.200 3.760 3.960 0.000 0.000 0.234 178 G HA3 -0.200 3.760 3.960 0.000 0.000 0.234 178 G C -0.046 174.857 174.900 0.005 0.000 0.989 178 G CA 0.222 45.322 45.100 0.001 0.000 0.676 178 G HN 0.521 nan 8.290 nan 0.000 0.522 179 I N 2.388 122.957 120.570 -0.001 0.000 2.371 179 I HA 0.307 4.477 4.170 0.000 0.000 0.282 179 I C -1.883 174.228 176.117 -0.010 0.000 1.031 179 I CA -2.451 58.852 61.300 0.006 0.000 1.180 179 I CB 1.744 39.748 38.000 0.007 0.000 1.336 179 I HN -0.107 nan 8.210 nan 0.000 0.467 180 P HA 0.150 nan 4.420 nan 0.000 0.272 180 P C -0.478 176.798 177.300 -0.039 0.000 1.230 180 P CA -0.429 62.658 63.100 -0.021 0.000 0.788 180 P CB 0.624 32.316 31.700 -0.013 0.000 0.949 181 R N 0.647 121.109 120.500 -0.063 0.000 2.570 181 R HA 0.433 4.773 4.340 0.000 0.000 0.277 181 R C 0.126 176.364 176.300 -0.103 0.000 1.039 181 R CA 0.346 56.387 56.100 -0.099 0.000 1.065 181 R CB 0.033 30.277 30.300 -0.094 0.000 0.964 181 R HN 0.565 nan 8.270 nan 0.000 0.428 182 A N 2.898 125.614 122.820 -0.173 0.000 2.455 182 A HA 0.335 4.655 4.320 0.000 0.000 0.300 182 A C -1.037 176.350 177.584 -0.330 0.000 1.040 182 A CA -0.860 51.080 52.037 -0.163 0.000 0.697 182 A CB 1.387 20.356 19.000 -0.052 0.000 1.265 182 A HN 0.657 nan 8.150 nan 0.000 0.407 183 K N 1.690 121.971 120.400 -0.199 0.000 2.350 183 K HA 0.499 4.819 4.320 0.000 0.000 0.279 183 K C -1.074 175.473 176.600 -0.088 0.000 1.027 183 K CA 0.134 56.307 56.287 -0.190 0.000 0.969 183 K CB 0.221 32.682 32.500 -0.065 0.000 0.954 183 K HN 0.521 nan 8.250 nan 0.000 0.474 184 F N 2.779 122.791 119.950 0.103 0.000 2.378 184 F HA 0.170 4.697 4.527 0.000 0.000 0.325 184 F C 0.899 176.731 175.800 0.053 0.000 1.097 184 F CA -0.828 57.262 58.000 0.151 0.000 1.079 184 F CB 0.950 40.062 39.000 0.187 0.000 1.240 184 F HN 0.713 nan 8.300 nan 0.000 0.519 185 N N -0.055 118.797 118.700 0.254 0.000 2.747 185 N HA -0.180 4.560 4.740 0.000 0.000 0.249 185 N C 0.838 176.182 175.510 -0.276 0.000 1.107 185 N CA 1.143 54.127 53.050 -0.111 0.000 0.707 185 N CB -1.687 36.742 38.487 -0.095 0.000 1.054 185 N HN 0.834 nan 8.380 nan 0.000 0.555 186 T N -4.466 109.990 114.554 -0.164 0.000 3.100 186 T HA 0.368 4.718 4.350 0.000 0.000 0.253 186 T C 1.550 175.841 174.700 -0.682 0.000 1.118 186 T CA 1.346 63.290 62.100 -0.260 0.000 1.058 186 T CB 0.563 69.364 68.868 -0.112 0.000 0.953 186 T HN 0.773 nan 8.240 nan 0.000 0.515 187 G N 0.399 108.870 108.800 -0.548 0.000 2.232 187 G HA2 -0.191 3.769 3.960 0.000 0.000 0.226 187 G HA3 -0.191 3.769 3.960 0.000 0.000 0.226 187 G C 0.205 175.162 174.900 0.095 0.000 0.996 187 G CA 0.026 44.997 45.100 -0.215 0.000 0.626 187 G HN 0.719 nan 8.290 nan 0.000 0.509 188 T N 2.418 116.958 114.554 -0.023 0.000 2.779 188 T HA 0.567 4.917 4.350 0.000 0.000 0.280 188 T C 0.270 174.988 174.700 0.030 0.000 0.987 188 T CA 0.188 62.296 62.100 0.014 0.000 0.966 188 T CB 1.651 70.505 68.868 -0.023 0.000 0.933 188 T HN 0.241 nan 8.240 nan 0.000 0.442 189 T N 3.050 117.625 114.554 0.035 0.000 2.902 189 T HA 0.156 4.506 4.350 0.000 0.000 0.301 189 T C 0.472 175.152 174.700 -0.032 0.000 1.012 189 T CA -0.229 61.868 62.100 -0.005 0.000 1.151 189 T CB 0.269 69.130 68.868 -0.010 0.000 0.946 189 T HN 0.315 nan 8.240 nan 0.000 0.542 190 V N 5.601 125.463 119.914 -0.087 0.000 2.389 190 V HA 0.098 4.218 4.120 0.000 0.000 0.264 190 V C 1.112 177.137 176.094 -0.115 0.000 1.049 190 V CA -0.085 62.189 62.300 -0.044 0.000 0.932 190 V CB 1.043 32.934 31.823 0.114 0.000 1.011 190 V HN 0.842 nan 8.190 nan 0.000 0.475 191 V N 3.725 123.633 119.914 -0.009 0.000 2.672 191 V HA 0.116 4.236 4.120 0.000 0.000 0.242 191 V C 0.950 177.103 176.094 0.097 0.000 1.059 191 V CA 0.857 63.169 62.300 0.020 0.000 1.081 191 V CB -0.066 31.770 31.823 0.023 0.000 0.752 191 V HN 0.924 nan 8.190 nan 0.000 0.472 192 N N 0.065 118.825 118.700 0.100 0.000 2.576 192 N HA 0.511 5.252 4.740 0.000 0.000 0.269 192 N C -0.620 174.961 175.510 0.119 0.000 1.058 192 N CA 0.439 53.558 53.050 0.114 0.000 0.860 192 N CB 1.369 39.898 38.487 0.070 0.000 1.249 192 N HN 0.408 nan 8.380 nan 0.000 0.525 193 G N 0.997 109.907 108.800 0.183 0.000 2.387 193 G HA2 0.625 4.585 3.960 0.000 0.000 0.294 193 G HA3 0.625 4.585 3.960 0.000 0.000 0.294 193 G C -2.094 172.932 174.900 0.210 0.000 1.509 193 G CA -0.382 44.807 45.100 0.150 0.000 0.806 193 G HN 0.587 nan 8.290 nan 0.000 0.546 194 A N 0.104 122.961 122.820 0.062 0.000 2.539 194 A HA 0.947 5.268 4.320 0.000 0.000 0.296 194 A C -0.587 176.887 177.584 -0.183 0.000 1.073 194 A CA -0.566 51.479 52.037 0.013 0.000 0.700 194 A CB 1.963 20.916 19.000 -0.078 0.000 1.296 194 A HN 1.214 nan 8.150 nan 0.000 0.405 195 N N -0.975 117.591 118.700 -0.224 0.000 3.348 195 N HA 0.443 5.183 4.740 0.000 0.000 0.233 195 N C -1.400 173.935 175.510 -0.291 0.000 1.440 195 N CA -0.802 52.031 53.050 -0.363 0.000 0.887 195 N CB 0.608 38.701 38.487 -0.657 0.000 1.410 195 N HN 0.484 nan 8.380 nan 0.000 0.502 196 F N 1.668 121.526 119.950 -0.153 0.000 2.607 196 F HA 0.151 4.679 4.527 0.000 0.000 0.374 196 F C 0.517 176.370 175.800 0.087 0.000 1.104 196 F CA 0.553 58.507 58.000 -0.076 0.000 1.296 196 F CB 0.207 39.178 39.000 -0.049 0.000 1.085 196 F HN 0.232 nan 8.300 nan 0.000 0.584 197 F N 1.495 121.685 119.950 0.401 0.000 2.440 197 F HA 0.128 4.655 4.527 0.000 0.000 0.323 197 F C 0.748 176.645 175.800 0.162 0.000 1.192 197 F CA -0.559 57.612 58.000 0.285 0.000 1.252 197 F CB 0.399 39.458 39.000 0.098 0.000 1.214 197 F HN 0.338 nan 8.300 nan 0.000 0.578 198 Q N 2.577 122.535 119.800 0.263 0.000 2.261 198 Q HA 0.466 4.806 4.340 0.000 0.000 0.252 198 Q C -0.586 175.413 176.000 -0.002 0.000 0.915 198 Q CA -0.452 55.395 55.803 0.075 0.000 0.915 198 Q CB 1.806 30.537 28.738 -0.012 0.000 1.204 198 Q HN 0.487 nan 8.270 nan 0.000 0.421 199 I N -0.156 120.419 120.570 0.008 0.000 2.646 199 I HA 0.411 4.582 4.170 0.000 0.000 0.299 199 I C -0.395 175.705 176.117 -0.029 0.000 1.036 199 I CA -1.285 59.997 61.300 -0.031 0.000 1.074 199 I CB 1.904 39.907 38.000 0.004 0.000 1.258 199 I HN 0.464 nan 8.210 nan 0.000 0.430 200 N N 5.371 124.047 118.700 -0.040 0.000 2.868 200 N HA 0.270 5.011 4.740 0.000 0.000 0.252 200 N C -0.817 174.682 175.510 -0.019 0.000 1.130 200 N CA -0.382 52.657 53.050 -0.019 0.000 1.026 200 N CB 0.814 39.290 38.487 -0.018 0.000 1.335 200 N HN 0.755 nan 8.380 nan 0.000 0.516 201 R N 1.318 121.816 120.500 -0.003 0.000 2.673 201 R HA 0.366 4.706 4.340 0.000 0.000 0.281 201 R C -0.373 175.933 176.300 0.008 0.000 0.991 201 R CA -0.699 55.397 56.100 -0.007 0.000 0.896 201 R CB 2.164 32.461 30.300 -0.004 0.000 1.201 201 R HN 0.369 nan 8.270 nan 0.000 0.457 202 R N 1.112 121.600 120.500 -0.019 0.000 2.637 202 R HA 0.202 4.542 4.340 0.000 0.000 0.269 202 R C 1.036 177.341 176.300 0.009 0.000 1.089 202 R CA 0.398 56.491 56.100 -0.012 0.000 1.177 202 R CB 0.642 30.893 30.300 -0.082 0.000 1.091 202 R HN 0.793 nan 8.270 nan 0.000 0.540 203 A N 1.408 124.243 122.820 0.025 0.000 1.978 203 A HA -0.206 4.114 4.320 0.000 0.000 0.220 203 A C 1.359 178.944 177.584 0.001 0.000 1.170 203 A CA 2.054 54.098 52.037 0.012 0.000 0.636 203 A CB -0.471 18.539 19.000 0.017 0.000 0.810 203 A HN 0.829 nan 8.150 nan 0.000 0.448 204 D N -2.397 118.003 120.400 -0.000 0.000 2.328 204 D HA 0.283 4.923 4.640 0.000 0.000 0.226 204 D C 1.111 177.414 176.300 0.004 0.000 1.066 204 D CA 1.000 55.000 54.000 0.001 0.000 0.861 204 D CB -0.395 40.406 40.800 0.001 0.000 0.912 204 D HN 0.785 nan 8.370 nan 0.000 0.521 205 G N -0.517 108.285 108.800 0.002 0.000 2.195 205 G HA2 -0.236 3.724 3.960 0.000 0.000 0.224 205 G HA3 -0.236 3.724 3.960 0.000 0.000 0.224 205 G C 0.376 175.285 174.900 0.016 0.000 0.990 205 G CA 0.128 45.234 45.100 0.010 0.000 0.639 205 G HN 0.426 nan 8.290 nan 0.000 0.514 206 T N 2.603 117.158 114.554 0.003 0.000 2.834 206 T HA 0.452 4.802 4.350 0.000 0.000 0.298 206 T C 0.949 175.639 174.700 -0.017 0.000 0.966 206 T CA 0.172 62.271 62.100 -0.002 0.000 1.141 206 T CB 0.597 69.456 68.868 -0.015 0.000 0.905 206 T HN 0.763 nan 8.240 nan 0.000 0.535 207 R N 1.994 122.489 120.500 -0.008 0.000 2.570 207 R HA 0.188 4.528 4.340 0.000 0.000 0.277 207 R C 0.361 176.627 176.300 -0.058 0.000 1.039 207 R CA -0.207 55.880 56.100 -0.021 0.000 1.065 207 R CB 0.222 30.519 30.300 -0.005 0.000 0.964 207 R HN 0.387 nan 8.270 nan 0.000 0.428 208 S N 2.675 118.337 115.700 -0.064 0.000 3.697 208 S HA 0.031 4.501 4.470 0.000 0.000 0.207 208 S C 0.119 174.668 174.600 -0.084 0.000 1.459 208 S CA -0.273 57.867 58.200 -0.100 0.000 1.122 208 S CB -0.704 62.446 63.200 -0.083 0.000 1.311 208 S HN 0.741 nan 8.310 nan 0.000 0.487 209 S N 1.460 117.110 115.700 -0.083 0.000 2.587 209 S HA 0.067 4.537 4.470 0.000 0.000 0.260 209 S C 1.632 176.205 174.600 -0.044 0.000 1.353 209 S CA 0.022 58.191 58.200 -0.052 0.000 0.995 209 S CB 0.748 63.916 63.200 -0.053 0.000 0.912 209 S HN 0.650 nan 8.310 nan 0.000 0.568 210 S N 0.662 116.384 115.700 0.038 0.000 2.423 210 S HA -0.139 4.331 4.470 0.000 0.000 0.231 210 S C 1.890 176.552 174.600 0.103 0.000 1.014 210 S CA 0.993 59.296 58.200 0.172 0.000 0.965 210 S CB -1.231 62.074 63.200 0.174 0.000 0.785 210 S HN 0.978 nan 8.310 nan 0.000 0.495 211 S N 1.716 117.391 115.700 -0.042 0.000 2.362 211 S HA 0.018 4.488 4.470 0.000 0.000 0.221 211 S C 1.857 176.119 174.600 -0.562 0.000 1.032 211 S CA 0.843 58.950 58.200 -0.155 0.000 0.973 211 S CB -1.108 62.046 63.200 -0.078 0.000 0.849 211 S HN 0.340 nan 8.310 nan 0.000 0.465 212 V N 2.500 122.015 119.914 -0.666 0.000 2.282 212 V HA -0.197 3.923 4.120 0.000 0.000 0.249 212 V C 2.903 178.758 176.094 -0.399 0.000 1.057 212 V CA 2.337 64.192 62.300 -0.743 0.000 1.032 212 V CB -1.151 30.464 31.823 -0.346 0.000 0.645 212 V HN 0.571 nan 8.190 nan 0.000 0.447 213 S N -1.579 113.946 115.700 -0.292 0.000 2.345 213 S HA -0.129 4.341 4.470 0.000 0.000 0.219 213 S C 1.820 176.226 174.600 -0.322 0.000 1.031 213 S CA 1.701 59.703 58.200 -0.329 0.000 0.984 213 S CB -0.331 62.622 63.200 -0.412 0.000 0.874 213 S HN 0.660 nan 8.310 nan 0.000 0.451 214 Y N -0.185 120.034 120.300 -0.134 0.000 2.479 214 Y HA 0.294 4.844 4.550 0.000 0.000 0.283 214 Y C 1.931 177.742 175.900 -0.147 0.000 1.109 214 Y CA 0.016 58.042 58.100 -0.123 0.000 1.239 214 Y CB 0.207 38.599 38.460 -0.113 0.000 1.108 214 Y HN 0.174 nan 8.280 nan 0.000 0.548 215 I N -1.035 119.555 120.570 0.033 0.000 2.947 215 I HA -0.093 4.077 4.170 0.000 0.000 0.263 215 I C 1.923 178.113 176.117 0.122 0.000 1.130 215 I CA 1.077 62.391 61.300 0.024 0.000 1.448 215 I CB -1.398 36.669 38.000 0.112 0.000 1.222 215 I HN 0.298 nan 8.210 nan 0.000 0.453 216 H N 1.458 120.521 119.070 -0.010 0.000 2.353 216 H HA -0.130 4.426 4.556 0.000 0.000 0.298 216 H C -0.558 174.762 175.328 -0.013 0.000 1.103 216 H CA 1.360 57.401 56.048 -0.012 0.000 1.293 216 H CB -1.111 28.636 29.762 -0.026 0.000 1.372 216 H HN 0.310 nan 8.280 nan 0.000 0.501 217 P HA -0.061 nan 4.420 nan 0.000 0.233 217 P C 1.008 178.320 177.300 0.020 0.000 1.167 217 P CA 1.077 64.198 63.100 0.035 0.000 0.770 217 P CB -0.107 31.591 31.700 -0.003 0.000 0.837 218 I N -6.665 113.906 120.570 0.001 0.000 4.081 218 I HA 0.159 4.329 4.170 0.000 0.000 0.333 218 I C 1.196 177.377 176.117 0.107 0.000 1.413 218 I CA -0.121 61.162 61.300 -0.028 0.000 1.110 218 I CB -0.055 37.820 38.000 -0.209 0.000 1.082 218 I HN -0.374 nan 8.210 nan 0.000 0.402 219 V N 1.876 121.893 119.914 0.172 0.000 2.453 219 V HA -0.194 3.926 4.120 0.000 0.000 0.252 219 V C 2.329 178.583 176.094 0.267 0.000 1.068 219 V CA 2.010 64.485 62.300 0.291 0.000 1.070 219 V CB -0.599 31.323 31.823 0.165 0.000 0.664 219 V HN 0.526 nan 8.190 nan 0.000 0.461 220 E N -0.631 119.675 120.200 0.176 0.000 2.474 220 E HA 0.039 4.389 4.350 0.000 0.000 0.194 220 E C 1.145 177.831 176.600 0.142 0.000 1.041 220 E CA -0.145 56.339 56.400 0.138 0.000 0.874 220 E CB -0.015 29.739 29.700 0.091 0.000 0.914 220 E HN 0.725 nan 8.360 nan 0.000 0.498 221 Q N 0.860 120.761 119.800 0.169 0.000 2.304 221 Q HA -0.026 4.314 4.340 0.000 0.000 0.301 221 Q C 1.279 177.380 176.000 0.169 0.000 1.063 221 Q CA 0.739 56.630 55.803 0.147 0.000 0.947 221 Q CB 0.753 29.567 28.738 0.127 0.000 1.201 221 Q HN 0.234 nan 8.270 nan 0.000 0.389 222 E N 3.372 123.646 120.200 0.123 0.000 2.097 222 E HA -0.267 4.083 4.350 0.000 0.000 0.196 222 E C 0.993 177.674 176.600 0.135 0.000 1.000 222 E CA 1.852 58.318 56.400 0.110 0.000 0.804 222 E CB -0.741 29.007 29.700 0.080 0.000 0.740 222 E HN 0.926 nan 8.360 nan 0.000 0.454 223 N N -1.161 117.637 118.700 0.164 0.000 2.322 223 N HA 0.142 4.882 4.740 0.000 0.000 0.194 223 N C -0.379 175.294 175.510 0.271 0.000 1.126 223 N CA -0.261 52.901 53.050 0.188 0.000 0.845 223 N CB -0.097 38.488 38.487 0.164 0.000 0.976 223 N HN 0.365 nan 8.380 nan 0.000 0.475 224 F N 1.156 121.164 119.950 0.096 0.000 2.493 224 F HA 0.537 5.064 4.527 0.000 0.000 0.329 224 F C -0.932 174.917 175.800 0.083 0.000 1.126 224 F CA -0.639 57.408 58.000 0.079 0.000 0.937 224 F CB 1.889 40.923 39.000 0.057 0.000 1.146 224 F HN -0.217 nan 8.300 nan 0.000 0.442 225 T N 7.552 121.669 114.554 -0.727 0.000 2.815 225 T HA 0.379 4.729 4.350 0.000 0.000 0.289 225 T C -0.856 173.299 174.700 -0.909 0.000 1.000 225 T CA -0.509 61.235 62.100 -0.593 0.000 0.958 225 T CB 1.050 69.796 68.868 -0.202 0.000 0.944 225 T HN 0.566 nan 8.240 nan 0.000 0.442 226 L N 4.985 125.836 121.223 -0.620 0.000 2.264 226 L HA 0.544 4.884 4.340 0.000 0.000 0.289 226 L C -1.324 175.529 176.870 -0.028 0.000 1.044 226 L CA -0.862 53.792 54.840 -0.310 0.000 0.807 226 L CB 0.652 42.679 42.059 -0.053 0.000 1.192 226 L HN 0.579 nan 8.230 nan 0.000 0.425 227 L N 4.891 126.085 121.223 -0.048 0.000 2.318 227 L HA 0.411 4.751 4.340 0.000 0.000 0.277 227 L C 0.445 177.360 176.870 0.074 0.000 1.008 227 L CA -0.212 54.639 54.840 0.019 0.000 0.846 227 L CB 1.752 43.785 42.059 -0.042 0.000 1.220 227 L HN 0.569 nan 8.230 nan 0.000 0.423 228 T N -1.440 113.207 114.554 0.155 0.000 2.936 228 T HA 0.636 4.987 4.350 0.000 0.000 0.282 228 T C 1.044 175.806 174.700 0.104 0.000 1.003 228 T CA -0.156 62.033 62.100 0.148 0.000 1.005 228 T CB 1.684 70.684 68.868 0.220 0.000 1.097 228 T HN 0.879 nan 8.240 nan 0.000 0.532 229 G N 0.356 109.209 108.800 0.088 0.000 2.203 229 G HA2 -0.186 3.774 3.960 0.000 0.000 0.263 229 G HA3 -0.186 3.774 3.960 0.000 0.000 0.263 229 G C -0.148 174.796 174.900 0.072 0.000 1.012 229 G CA 0.336 45.475 45.100 0.065 0.000 0.749 229 G HN 0.831 nan 8.290 nan 0.000 0.512 230 L N -0.402 120.872 121.223 0.084 0.000 2.333 230 L HA 0.578 4.918 4.340 0.000 0.000 0.280 230 L C 0.607 177.544 176.870 0.112 0.000 1.004 230 L CA -0.936 53.957 54.840 0.088 0.000 0.820 230 L CB 1.938 44.037 42.059 0.066 0.000 1.247 230 L HN 0.187 nan 8.230 nan 0.000 0.416 231 R N 2.781 123.356 120.500 0.125 0.000 2.310 231 R HA 0.607 4.947 4.340 0.000 0.000 0.324 231 R C -0.349 175.989 176.300 0.063 0.000 0.955 231 R CA -0.476 55.722 56.100 0.165 0.000 0.830 231 R CB 1.575 32.038 30.300 0.272 0.000 1.154 231 R HN 0.744 nan 8.270 nan 0.000 0.458 232 A N 4.191 127.037 122.820 0.044 0.000 2.488 232 A HA 0.087 4.407 4.320 0.000 0.000 0.249 232 A C 0.888 178.399 177.584 -0.121 0.000 1.083 232 A CA -0.210 51.801 52.037 -0.042 0.000 0.768 232 A CB 0.229 19.216 19.000 -0.021 0.000 1.017 232 A HN 1.048 nan 8.150 nan 0.000 0.496 233 R N 0.936 121.265 120.500 -0.284 0.000 2.316 233 R HA 0.305 4.645 4.340 0.000 0.000 0.201 233 R C 0.327 176.491 176.300 -0.226 0.000 0.888 233 R CA 0.187 55.995 56.100 -0.485 0.000 1.041 233 R CB 0.466 30.022 30.300 -1.240 0.000 1.115 233 R HN 0.703 nan 8.270 nan 0.000 0.559 234 Q N 0.764 120.469 119.800 -0.158 0.000 2.503 234 Q HA 0.341 4.681 4.340 0.000 0.000 0.268 234 Q C -1.692 174.258 176.000 -0.083 0.000 0.982 234 Q CA -0.615 55.139 55.803 -0.082 0.000 0.907 234 Q CB 2.221 30.914 28.738 -0.076 0.000 1.467 234 Q HN 0.140 nan 8.270 nan 0.000 0.394 235 L N 1.656 122.844 121.223 -0.058 0.000 2.439 235 L HA 0.651 4.991 4.340 0.000 0.000 0.261 235 L C -0.199 176.525 176.870 -0.245 0.000 1.153 235 L CA -0.678 54.054 54.840 -0.180 0.000 0.808 235 L CB 1.430 43.376 42.059 -0.187 0.000 1.126 235 L HN 0.380 nan 8.230 nan 0.000 0.460 236 V N 2.096 121.734 119.914 -0.459 0.000 2.656 236 V HA 0.557 4.677 4.120 0.000 0.000 0.307 236 V C -1.136 174.629 176.094 -0.550 0.000 1.051 236 V CA -0.339 61.768 62.300 -0.322 0.000 0.893 236 V CB 1.869 33.608 31.823 -0.141 0.000 0.999 236 V HN 0.465 nan 8.190 nan 0.000 0.426 237 F N 2.893 122.836 119.950 -0.011 0.000 2.577 237 F HA 0.554 5.082 4.527 0.000 0.000 0.318 237 F C 0.453 176.248 175.800 -0.009 0.000 1.065 237 F CA -0.789 57.206 58.000 -0.009 0.000 0.929 237 F CB 1.343 40.337 39.000 -0.009 0.000 1.237 237 F HN 0.439 nan 8.300 nan 0.000 0.468 238 D N 0.516 121.023 120.400 0.178 0.000 2.319 238 D HA 0.148 4.788 4.640 0.000 0.000 0.235 238 D C 1.007 177.366 176.300 0.098 0.000 1.304 238 D CA 0.555 54.617 54.000 0.103 0.000 0.894 238 D CB 0.718 41.568 40.800 0.083 0.000 1.183 238 D HN 0.617 nan 8.370 nan 0.000 0.472 239 A N 0.667 123.520 122.820 0.056 0.000 2.066 239 A HA -0.127 4.194 4.320 0.000 0.000 0.218 239 A C 1.521 179.123 177.584 0.030 0.000 1.157 239 A CA 1.061 53.120 52.037 0.037 0.000 0.670 239 A CB -0.059 18.955 19.000 0.022 0.000 0.804 239 A HN 0.394 nan 8.150 nan 0.000 0.453 240 D N -0.955 119.469 120.400 0.040 0.000 2.347 240 D HA 0.026 4.666 4.640 0.000 0.000 0.213 240 D C 0.597 176.921 176.300 0.039 0.000 0.985 240 D CA 0.293 54.312 54.000 0.033 0.000 0.879 240 D CB -0.041 40.779 40.800 0.034 0.000 0.919 240 D HN 0.364 nan 8.370 nan 0.000 0.526 241 R N -0.634 119.908 120.500 0.069 0.000 3.908 241 R HA -0.173 4.167 4.340 0.000 0.000 0.381 241 R C 0.285 176.694 176.300 0.182 0.000 1.135 241 R CA 0.270 56.415 56.100 0.076 0.000 0.990 241 R CB -1.904 28.372 30.300 -0.039 0.000 1.557 241 R HN 0.193 nan 8.270 nan 0.000 0.535 242 R N 1.179 121.782 120.500 0.173 0.000 2.389 242 R HA 0.180 4.520 4.340 0.000 0.000 0.295 242 R C 0.132 176.565 176.300 0.222 0.000 1.075 242 R CA -0.026 56.174 56.100 0.167 0.000 1.005 242 R CB 0.754 31.103 30.300 0.081 0.000 0.987 242 R HN 0.262 nan 8.270 nan 0.000 0.452 243 C N 4.436 123.845 119.300 0.182 0.000 2.632 243 C HA 0.197 4.657 4.460 0.000 0.000 0.415 243 C C 1.711 176.609 174.990 -0.153 0.000 1.332 243 C CA 0.178 59.083 59.018 -0.188 0.000 1.874 243 C CB -0.132 27.463 27.740 -0.242 0.000 2.596 243 C HN 0.960 nan 8.230 nan 0.000 0.590 244 T N 2.145 116.573 114.554 -0.209 0.000 3.040 244 T HA 0.557 4.907 4.350 0.000 0.000 0.266 244 T C 0.643 175.274 174.700 -0.116 0.000 1.005 244 T CA 0.526 62.557 62.100 -0.115 0.000 0.906 244 T CB 0.138 68.964 68.868 -0.071 0.000 1.082 244 T HN 1.634 nan 8.240 nan 0.000 0.531 245 G N 0.327 109.020 108.800 -0.178 0.000 2.356 245 G HA2 0.388 4.348 3.960 0.000 0.000 0.266 245 G HA3 0.388 4.348 3.960 0.000 0.000 0.266 245 G C -2.067 172.738 174.900 -0.158 0.000 1.312 245 G CA -0.070 44.957 45.100 -0.123 0.000 0.922 245 G HN 0.719 nan 8.290 nan 0.000 0.480 246 V N 0.541 120.399 119.914 -0.092 0.000 2.760 246 V HA 0.636 4.756 4.120 0.000 0.000 0.309 246 V C -1.498 174.558 176.094 -0.063 0.000 1.077 246 V CA -0.817 61.429 62.300 -0.090 0.000 0.910 246 V CB 2.000 33.782 31.823 -0.069 0.000 1.008 246 V HN 0.713 nan 8.190 nan 0.000 0.424 247 D N 6.113 126.461 120.400 -0.086 0.000 2.277 247 D HA 0.500 5.141 4.640 0.000 0.000 0.249 247 D C -0.002 176.233 176.300 -0.109 0.000 1.134 247 D CA 0.371 54.318 54.000 -0.089 0.000 0.863 247 D CB 1.435 42.163 40.800 -0.120 0.000 1.143 247 D HN 0.718 nan 8.370 nan 0.000 0.458 248 I N -1.119 119.415 120.570 -0.061 0.000 3.002 248 I HA 0.737 4.907 4.170 0.000 0.000 0.310 248 I C -0.726 175.370 176.117 -0.034 0.000 1.087 248 I CA -1.193 60.079 61.300 -0.047 0.000 1.017 248 I CB 2.301 40.317 38.000 0.026 0.000 1.226 248 I HN 0.097 nan 8.210 nan 0.000 0.443 249 V N 0.692 120.599 119.914 -0.012 0.000 2.841 249 V HA 0.493 4.613 4.120 0.000 0.000 0.310 249 V C -0.312 175.846 176.094 0.106 0.000 1.090 249 V CA -0.330 61.992 62.300 0.036 0.000 0.930 249 V CB 1.605 33.439 31.823 0.018 0.000 1.014 249 V HN 0.977 nan 8.190 nan 0.000 0.425 250 D N 2.153 122.633 120.400 0.133 0.000 2.348 250 D HA 0.179 4.819 4.640 0.000 0.000 0.211 250 D C 0.669 177.024 176.300 0.091 0.000 0.998 250 D CA 0.996 55.062 54.000 0.111 0.000 0.873 250 D CB 0.226 41.092 40.800 0.109 0.000 0.925 250 D HN 1.092 nan 8.370 nan 0.000 0.524 251 S N -2.433 113.325 115.700 0.097 0.000 2.565 251 S HA 0.632 5.102 4.470 0.000 0.000 0.269 251 S C 0.872 175.529 174.600 0.095 0.000 1.153 251 S CA -0.553 57.703 58.200 0.093 0.000 0.835 251 S CB 1.331 64.586 63.200 0.092 0.000 1.122 251 S HN 0.085 nan 8.310 nan 0.000 0.462 252 A N 0.760 123.604 122.820 0.039 0.000 1.958 252 A HA 0.045 4.365 4.320 0.000 0.000 0.221 252 A C 1.153 178.528 177.584 -0.349 0.000 1.178 252 A CA 1.621 53.564 52.037 -0.156 0.000 0.642 252 A CB -0.960 17.839 19.000 -0.336 0.000 0.816 252 A HN 0.850 nan 8.150 nan 0.000 0.453 253 F N -0.664 119.332 119.950 0.077 0.000 2.695 253 F HA 0.309 4.836 4.527 0.000 0.000 0.303 253 F C 1.691 177.521 175.800 0.049 0.000 1.091 253 F CA -0.190 57.847 58.000 0.063 0.000 1.300 253 F CB 0.045 39.064 39.000 0.032 0.000 1.071 253 F HN 0.253 nan 8.300 nan 0.000 0.578 254 G N -0.861 108.024 108.800 0.143 0.000 2.621 254 G HA2 0.157 4.117 3.960 0.000 0.000 0.271 254 G HA3 0.157 4.117 3.960 0.000 0.000 0.271 254 G C -0.585 174.351 174.900 0.059 0.000 1.236 254 G CA -0.437 44.683 45.100 0.034 0.000 0.958 254 G HN 0.318 nan 8.290 nan 0.000 0.512 255 H N -1.430 117.607 119.070 -0.054 0.000 2.679 255 H HA 0.242 4.798 4.556 0.000 0.000 0.369 255 H C 0.182 175.285 175.328 -0.375 0.000 1.178 255 H CA -0.128 55.806 56.048 -0.189 0.000 1.419 255 H CB 0.659 30.291 29.762 -0.217 0.000 1.458 255 H HN 0.285 nan 8.280 nan 0.000 0.605 256 T N 3.140 117.573 114.554 -0.202 0.000 2.743 256 T HA 0.123 4.473 4.350 0.000 0.000 0.293 256 T C -0.332 174.168 174.700 -0.334 0.000 0.945 256 T CA -0.634 61.317 62.100 -0.249 0.000 1.030 256 T CB 0.093 68.873 68.868 -0.148 0.000 0.912 256 T HN 0.427 nan 8.240 nan 0.000 0.483 257 H N 2.493 121.569 119.070 0.010 0.000 2.466 257 H HA 0.372 4.928 4.556 0.000 0.000 0.338 257 H C 0.155 175.478 175.328 -0.008 0.000 1.091 257 H CA -0.687 55.367 56.048 0.011 0.000 1.207 257 H CB 1.333 31.111 29.762 0.026 0.000 1.466 257 H HN 0.436 nan 8.280 nan 0.000 0.493 258 R N 3.356 123.918 120.500 0.105 0.000 2.265 258 R HA 0.326 4.666 4.340 0.000 0.000 0.314 258 R C -0.718 175.623 176.300 0.070 0.000 1.053 258 R CA -0.475 55.654 56.100 0.049 0.000 0.931 258 R CB 0.305 30.614 30.300 0.014 0.000 1.024 258 R HN 0.481 nan 8.270 nan 0.000 0.457 259 L N 3.755 125.019 121.223 0.068 0.000 2.309 259 L HA 0.420 4.760 4.340 0.000 0.000 0.282 259 L C -0.107 176.814 176.870 0.085 0.000 1.036 259 L CA -0.659 54.253 54.840 0.121 0.000 0.806 259 L CB 2.057 44.202 42.059 0.142 0.000 1.220 259 L HN 0.686 nan 8.230 nan 0.000 0.429 260 T N 1.845 116.460 114.554 0.102 0.000 2.855 260 T HA 0.699 5.049 4.350 0.000 0.000 0.281 260 T C -0.324 174.424 174.700 0.081 0.000 1.007 260 T CA -0.544 61.581 62.100 0.041 0.000 1.009 260 T CB 1.891 70.753 68.868 -0.011 0.000 0.983 260 T HN 0.660 nan 8.240 nan 0.000 0.455 261 A N 2.145 124.977 122.820 0.019 0.000 2.343 261 A HA 0.559 4.879 4.320 0.000 0.000 0.316 261 A C 0.861 178.408 177.584 -0.062 0.000 1.104 261 A CA -0.784 51.253 52.037 -0.000 0.000 0.768 261 A CB 1.060 20.052 19.000 -0.014 0.000 1.213 261 A HN 0.893 nan 8.150 nan 0.000 0.456 262 R N 1.245 121.684 120.500 -0.103 0.000 2.140 262 R HA -0.010 4.331 4.340 0.000 0.000 0.213 262 R C 0.835 177.042 176.300 -0.154 0.000 1.059 262 R CA 1.094 57.125 56.100 -0.115 0.000 1.000 262 R CB 0.097 30.331 30.300 -0.110 0.000 0.910 262 R HN 0.721 nan 8.270 nan 0.000 0.455 263 N N 0.137 118.662 118.700 -0.292 0.000 2.418 263 N HA 0.075 4.816 4.740 0.000 0.000 0.199 263 N C -0.104 175.322 175.510 -0.140 0.000 1.044 263 N CA 0.812 53.678 53.050 -0.307 0.000 0.943 263 N CB 0.514 38.578 38.487 -0.704 0.000 1.154 263 N HN 0.078 nan 8.380 nan 0.000 0.467 264 E N -0.321 119.798 120.200 -0.135 0.000 2.392 264 E HA 0.418 4.768 4.350 0.000 0.000 0.279 264 E C -1.404 175.276 176.600 0.133 0.000 0.964 264 E CA -0.559 55.904 56.400 0.106 0.000 0.777 264 E CB 3.092 32.966 29.700 0.291 0.000 1.249 264 E HN -0.238 nan 8.360 nan 0.000 0.449 265 V N 1.820 121.784 119.914 0.084 0.000 2.483 265 V HA 0.352 4.472 4.120 0.000 0.000 0.295 265 V C -0.451 175.684 176.094 0.069 0.000 1.035 265 V CA -0.714 61.620 62.300 0.057 0.000 0.896 265 V CB 1.746 33.557 31.823 -0.020 0.000 0.986 265 V HN 0.399 nan 8.190 nan 0.000 0.447 266 V N 6.017 125.967 119.914 0.061 0.000 2.378 266 V HA 0.410 4.531 4.120 0.000 0.000 0.288 266 V C -0.135 175.968 176.094 0.015 0.000 1.016 266 V CA -0.503 61.820 62.300 0.038 0.000 0.840 266 V CB 1.695 33.535 31.823 0.027 0.000 0.994 266 V HN 0.642 nan 8.190 nan 0.000 0.431 267 L N 3.976 125.204 121.223 0.008 0.000 2.265 267 L HA 0.435 4.776 4.340 0.000 0.000 0.288 267 L C 0.426 177.288 176.870 -0.014 0.000 1.058 267 L CA 0.213 55.050 54.840 -0.005 0.000 0.809 267 L CB 1.652 43.707 42.059 -0.006 0.000 1.179 267 L HN 0.760 nan 8.230 nan 0.000 0.429 268 S N -0.069 115.623 115.700 -0.014 0.000 2.901 268 S HA 0.023 4.493 4.470 0.000 0.000 0.248 268 S C 0.982 175.574 174.600 -0.013 0.000 1.021 268 S CA -0.269 57.922 58.200 -0.016 0.000 1.090 268 S CB 0.482 63.675 63.200 -0.012 0.000 1.039 268 S HN 0.819 nan 8.310 nan 0.000 0.514 269 T N -0.045 114.494 114.554 -0.026 0.000 3.148 269 T HA 0.472 4.822 4.350 0.000 0.000 0.253 269 T C 1.151 175.813 174.700 -0.064 0.000 1.134 269 T CA 0.380 62.459 62.100 -0.035 0.000 1.051 269 T CB -0.208 68.624 68.868 -0.059 0.000 0.959 269 T HN 0.794 nan 8.240 nan 0.000 0.525 270 G N 0.438 109.203 108.800 -0.060 0.000 2.710 270 G HA2 0.170 4.131 3.960 0.000 0.000 0.668 270 G HA3 0.170 4.131 3.960 0.000 0.000 0.668 270 G C 0.673 175.508 174.900 -0.108 0.000 1.320 270 G CA -0.459 44.602 45.100 -0.065 0.000 0.860 270 G HN 0.808 nan 8.290 nan 0.000 0.538 271 A N -0.801 121.951 122.820 -0.114 0.000 2.119 271 A HA 0.338 4.658 4.320 0.000 0.000 0.217 271 A C 2.335 179.800 177.584 -0.199 0.000 1.153 271 A CA 2.093 54.038 52.037 -0.155 0.000 0.692 271 A CB -0.250 18.653 19.000 -0.161 0.000 0.799 271 A HN 0.836 nan 8.150 nan 0.000 0.458 272 I N -1.469 118.966 120.570 -0.225 0.000 2.729 272 I HA -0.033 4.137 4.170 0.000 0.000 0.256 272 I C 1.556 177.471 176.117 -0.336 0.000 1.115 272 I CA 0.730 61.831 61.300 -0.330 0.000 1.446 272 I CB -0.072 37.652 38.000 -0.459 0.000 1.176 272 I HN 0.124 nan 8.210 nan 0.000 0.446 273 D N 0.271 120.485 120.400 -0.309 0.000 2.249 273 D HA -0.062 4.578 4.640 0.000 0.000 0.205 273 D C 2.065 178.254 176.300 -0.185 0.000 0.962 273 D CA 1.066 54.893 54.000 -0.288 0.000 0.860 273 D CB 0.187 40.776 40.800 -0.353 0.000 0.955 273 D HN 0.219 nan 8.370 nan 0.000 0.505 274 T N 1.774 116.237 114.554 -0.151 0.000 2.674 274 T HA -0.094 4.256 4.350 0.000 0.000 0.265 274 T C -0.915 173.724 174.700 -0.101 0.000 1.039 274 T CA 1.322 63.358 62.100 -0.107 0.000 1.150 274 T CB -0.992 67.820 68.868 -0.095 0.000 0.864 274 T HN 0.217 nan 8.240 nan 0.000 0.427 275 P HA -0.090 nan 4.420 nan 0.000 0.218 275 P C 1.395 178.641 177.300 -0.090 0.000 1.149 275 P CA 1.280 64.316 63.100 -0.107 0.000 0.817 275 P CB -0.029 31.590 31.700 -0.135 0.000 0.785 276 K N 0.206 120.534 120.400 -0.119 0.000 2.032 276 K HA -0.132 4.189 4.320 0.000 0.000 0.209 276 K C 2.279 178.843 176.600 -0.060 0.000 1.048 276 K CA 1.243 57.469 56.287 -0.101 0.000 0.927 276 K CB -0.709 31.703 32.500 -0.148 0.000 0.712 276 K HN 0.047 nan 8.250 nan 0.000 0.441 277 L N 0.905 122.093 121.223 -0.059 0.000 2.093 277 L HA -0.154 4.186 4.340 0.000 0.000 0.208 277 L C 2.337 179.208 176.870 0.001 0.000 1.085 277 L CA 0.839 55.663 54.840 -0.026 0.000 0.755 277 L CB -0.192 41.847 42.059 -0.033 0.000 0.904 277 L HN 0.245 nan 8.230 nan 0.000 0.435 278 L N -1.268 119.953 121.223 -0.003 0.000 2.017 278 L HA -0.265 4.075 4.340 0.000 0.000 0.208 278 L C 2.598 179.478 176.870 0.015 0.000 1.073 278 L CA 1.478 56.331 54.840 0.022 0.000 0.745 278 L CB -0.397 41.662 42.059 -0.001 0.000 0.894 278 L HN 0.284 nan 8.230 nan 0.000 0.432 279 M N -0.732 118.865 119.600 -0.004 0.000 2.117 279 M HA -0.225 4.255 4.480 0.000 0.000 0.262 279 M C 2.299 178.593 176.300 -0.009 0.000 1.065 279 M CA 1.722 57.020 55.300 -0.002 0.000 1.114 279 M CB -0.354 32.252 32.600 0.011 0.000 1.361 279 M HN 0.235 nan 8.290 nan 0.000 0.408 280 L N -0.758 120.461 121.223 -0.006 0.000 2.131 280 L HA -0.164 4.177 4.340 0.000 0.000 0.210 280 L C 2.124 179.012 176.870 0.029 0.000 1.092 280 L CA 0.879 55.722 54.840 0.005 0.000 0.759 280 L CB -0.443 41.626 42.059 0.017 0.000 0.903 280 L HN 0.227 nan 8.230 nan 0.000 0.435 281 S N -0.643 115.091 115.700 0.056 0.000 2.603 281 S HA 0.165 4.635 4.470 0.000 0.000 0.220 281 S C 1.399 176.060 174.600 0.101 0.000 0.967 281 S CA 0.679 58.956 58.200 0.129 0.000 0.920 281 S CB 0.488 63.826 63.200 0.231 0.000 0.773 281 S HN 0.649 nan 8.310 nan 0.000 0.529 282 G N 1.258 110.072 108.800 0.023 0.000 2.159 282 G HA2 -0.204 3.756 3.960 0.000 0.000 0.227 282 G HA3 -0.204 3.756 3.960 0.000 0.000 0.227 282 G C -0.058 174.796 174.900 -0.075 0.000 0.986 282 G CA -0.423 44.658 45.100 -0.032 0.000 0.651 282 G HN 0.490 nan 8.290 nan 0.000 0.523 283 I N 1.262 121.798 120.570 -0.057 0.000 2.354 283 I HA 0.659 4.829 4.170 0.000 0.000 0.286 283 I C 0.743 176.838 176.117 -0.036 0.000 1.007 283 I CA 0.226 61.483 61.300 -0.073 0.000 1.167 283 I CB 1.320 39.272 38.000 -0.080 0.000 1.320 283 I HN 0.472 nan 8.210 nan 0.000 0.458 284 G N 6.588 115.369 108.800 -0.032 0.000 2.317 284 G HA2 0.253 4.213 3.960 0.000 0.000 0.293 284 G HA3 0.253 4.213 3.960 0.000 0.000 0.293 284 G C -3.376 171.523 174.900 -0.001 0.000 1.287 284 G CA -0.788 44.306 45.100 -0.010 0.000 0.850 284 G HN 0.174 nan 8.290 nan 0.000 0.515 285 P HA 0.393 nan 4.420 nan 0.000 0.271 285 P C 0.842 178.168 177.300 0.043 0.000 1.233 285 P CA 0.637 63.748 63.100 0.018 0.000 0.764 285 P CB 1.348 33.053 31.700 0.009 0.000 0.825 286 A N 5.001 127.828 122.820 0.012 0.000 1.883 286 A HA -0.200 4.121 4.320 0.000 0.000 0.217 286 A C 2.133 179.725 177.584 0.014 0.000 1.186 286 A CA 2.248 54.287 52.037 0.003 0.000 0.624 286 A CB -1.563 17.430 19.000 -0.012 0.000 0.822 286 A HN 0.510 nan 8.150 nan 0.000 0.444 287 A N -1.222 121.612 122.820 0.023 0.000 1.933 287 A HA -0.174 4.147 4.320 0.000 0.000 0.218 287 A C 2.053 179.668 177.584 0.052 0.000 1.175 287 A CA 2.175 54.224 52.037 0.021 0.000 0.628 287 A CB -0.818 18.190 19.000 0.014 0.000 0.814 287 A HN 0.753 nan 8.150 nan 0.000 0.444 288 H N 0.191 119.252 119.070 -0.016 0.000 2.326 288 H HA 0.011 4.567 4.556 0.000 0.000 0.301 288 H C 1.776 177.148 175.328 0.074 0.000 1.081 288 H CA 1.837 57.898 56.048 0.021 0.000 1.334 288 H CB -0.281 29.496 29.762 0.025 0.000 1.385 288 H HN 0.339 nan 8.280 nan 0.000 0.504 289 L N -0.307 120.903 121.223 -0.023 0.000 2.012 289 L HA -0.183 4.157 4.340 0.000 0.000 0.210 289 L C 2.808 179.642 176.870 -0.060 0.000 1.073 289 L CA 1.301 56.101 54.840 -0.066 0.000 0.748 289 L CB -1.088 40.956 42.059 -0.026 0.000 0.891 289 L HN 0.415 nan 8.230 nan 0.000 0.431 290 A N 0.062 122.854 122.820 -0.048 0.000 1.940 290 A HA -0.271 4.049 4.320 0.000 0.000 0.219 290 A C 2.156 179.682 177.584 -0.098 0.000 1.176 290 A CA 1.936 53.941 52.037 -0.055 0.000 0.631 290 A CB -0.540 18.436 19.000 -0.040 0.000 0.814 290 A HN 0.397 nan 8.150 nan 0.000 0.446 291 E N -0.242 119.864 120.200 -0.155 0.000 2.171 291 E HA -0.215 4.135 4.350 0.000 0.000 0.197 291 E C 0.978 177.302 176.600 -0.460 0.000 0.997 291 E CA 1.689 57.907 56.400 -0.303 0.000 0.810 291 E CB -0.334 29.143 29.700 -0.372 0.000 0.738 291 E HN 0.832 nan 8.360 nan 0.000 0.467 292 H N -2.182 116.807 119.070 -0.134 0.000 2.505 292 H HA 0.370 4.926 4.556 0.000 0.000 0.286 292 H C 0.763 176.044 175.328 -0.079 0.000 1.072 292 H CA 0.295 56.272 56.048 -0.119 0.000 1.141 292 H CB 0.948 30.598 29.762 -0.185 0.000 1.550 292 H HN 0.250 nan 8.280 nan 0.000 0.547 293 G N 1.123 109.916 108.800 -0.011 0.000 2.160 293 G HA2 -0.296 3.664 3.960 0.000 0.000 0.251 293 G HA3 -0.296 3.664 3.960 0.000 0.000 0.251 293 G C -0.009 174.892 174.900 0.001 0.000 1.008 293 G CA 0.157 45.254 45.100 -0.005 0.000 0.724 293 G HN 0.362 nan 8.290 nan 0.000 0.514 294 I N 0.553 121.121 120.570 -0.003 0.000 2.359 294 I HA 0.302 4.472 4.170 0.000 0.000 0.294 294 I C 0.742 176.851 176.117 -0.013 0.000 0.987 294 I CA -0.754 60.543 61.300 -0.005 0.000 1.225 294 I CB 1.570 39.565 38.000 -0.009 0.000 1.366 294 I HN 0.243 nan 8.210 nan 0.000 0.466 295 E N 5.812 126.006 120.200 -0.010 0.000 2.366 295 E HA 0.108 4.458 4.350 0.000 0.000 0.266 295 E C -0.952 175.632 176.600 -0.028 0.000 1.015 295 E CA -0.447 55.944 56.400 -0.017 0.000 0.906 295 E CB 0.889 30.583 29.700 -0.011 0.000 0.979 295 E HN 0.370 nan 8.360 nan 0.000 0.443 296 V N 7.267 127.161 119.914 -0.034 0.000 2.415 296 V HA -0.044 4.076 4.120 0.000 0.000 0.267 296 V C 1.068 177.121 176.094 -0.067 0.000 1.042 296 V CA 0.068 62.340 62.300 -0.046 0.000 1.000 296 V CB 0.693 32.492 31.823 -0.038 0.000 1.015 296 V HN 0.776 nan 8.190 nan 0.000 0.478 297 L N 6.563 127.725 121.223 -0.102 0.000 2.127 297 L HA 0.244 4.584 4.340 0.000 0.000 0.203 297 L C 0.579 177.353 176.870 -0.160 0.000 1.080 297 L CA 1.604 56.351 54.840 -0.156 0.000 0.768 297 L CB 0.558 42.455 42.059 -0.271 0.000 0.924 297 L HN 0.452 nan 8.230 nan 0.000 0.444 298 V N 0.355 120.180 119.914 -0.148 0.000 2.569 298 V HA 0.264 4.385 4.120 0.000 0.000 0.301 298 V C -1.300 174.747 176.094 -0.078 0.000 1.044 298 V CA -1.011 61.220 62.300 -0.115 0.000 0.874 298 V CB 1.511 33.253 31.823 -0.135 0.000 1.002 298 V HN 0.068 nan 8.190 nan 0.000 0.424 299 D N 3.167 123.533 120.400 -0.058 0.000 2.374 299 D HA 0.184 4.824 4.640 0.000 0.000 0.240 299 D C -0.020 176.256 176.300 -0.040 0.000 1.229 299 D CA 0.570 54.545 54.000 -0.041 0.000 0.895 299 D CB 1.087 41.868 40.800 -0.033 0.000 1.046 299 D HN 0.476 nan 8.370 nan 0.000 0.498 300 S N 4.960 120.637 115.700 -0.039 0.000 2.406 300 S HA 0.335 4.805 4.470 0.000 0.000 0.224 300 S C -1.807 172.770 174.600 -0.039 0.000 1.426 300 S CA -1.412 56.764 58.200 -0.039 0.000 1.179 300 S CB 1.041 64.214 63.200 -0.045 0.000 1.042 300 S HN 0.330 nan 8.310 nan 0.000 0.479 301 P HA 0.030 nan 4.420 nan 0.000 0.225 301 P C 1.339 178.590 177.300 -0.081 0.000 1.148 301 P CA 0.697 63.768 63.100 -0.049 0.000 0.779 301 P CB -0.128 31.549 31.700 -0.038 0.000 0.780 302 G N -0.077 108.689 108.800 -0.057 0.000 2.712 302 G HA2 0.002 3.963 3.960 0.000 0.000 0.212 302 G HA3 0.002 3.963 3.960 0.000 0.000 0.212 302 G C 0.468 175.293 174.900 -0.125 0.000 1.142 302 G CA -0.050 45.009 45.100 -0.069 0.000 0.789 302 G HN 0.159 nan 8.290 nan 0.000 0.535 303 V N 1.310 121.165 119.914 -0.099 0.000 2.450 303 V HA 0.438 4.558 4.120 0.000 0.000 0.281 303 V C 1.602 177.613 176.094 -0.138 0.000 1.019 303 V CA 1.217 63.457 62.300 -0.100 0.000 1.062 303 V CB 0.165 31.949 31.823 -0.064 0.000 0.979 303 V HN 0.685 nan 8.190 nan 0.000 0.477 304 G N 3.636 112.339 108.800 -0.162 0.000 2.199 304 G HA2 -0.183 3.777 3.960 0.000 0.000 0.254 304 G HA3 -0.183 3.777 3.960 0.000 0.000 0.254 304 G C 0.178 174.923 174.900 -0.258 0.000 0.982 304 G CA 0.058 45.042 45.100 -0.194 0.000 0.632 304 G HN 0.593 nan 8.290 nan 0.000 0.529 305 E N 0.168 120.161 120.200 -0.346 0.000 2.312 305 E HA 0.486 4.836 4.350 0.000 0.000 0.259 305 E C 0.980 177.261 176.600 -0.532 0.000 1.122 305 E CA -0.214 55.853 56.400 -0.554 0.000 0.922 305 E CB 0.155 29.321 29.700 -0.890 0.000 1.109 305 E HN 0.496 nan 8.360 nan 0.000 0.442 306 H N -1.651 117.324 119.070 -0.159 0.000 2.936 306 H HA -0.191 4.365 4.556 0.000 0.000 0.276 306 H C 0.145 175.355 175.328 -0.198 0.000 1.216 306 H CA 0.138 56.081 56.048 -0.174 0.000 1.132 306 H CB -2.360 27.287 29.762 -0.192 0.000 1.303 306 H HN 0.192 nan 8.280 nan 0.000 0.370 307 L N 1.921 123.057 121.223 -0.145 0.000 2.534 307 L HA 0.130 4.470 4.340 0.000 0.000 0.271 307 L C 0.509 177.281 176.870 -0.163 0.000 1.178 307 L CA 0.841 55.573 54.840 -0.180 0.000 0.907 307 L CB 0.427 42.357 42.059 -0.215 0.000 1.164 307 L HN 0.263 nan 8.230 nan 0.000 0.482 308 Q N 3.397 123.095 119.800 -0.169 0.000 2.359 308 Q HA 0.648 4.988 4.340 0.000 0.000 0.275 308 Q C -1.258 174.712 176.000 -0.050 0.000 1.082 308 Q CA -0.833 54.906 55.803 -0.108 0.000 0.849 308 Q CB 2.243 30.914 28.738 -0.112 0.000 1.377 308 Q HN 0.715 nan 8.270 nan 0.000 0.452 309 D N -1.107 119.356 120.400 0.105 0.000 2.665 309 D HA 0.220 4.860 4.640 0.000 0.000 0.287 309 D C -1.704 174.666 176.300 0.118 0.000 1.266 309 D CA -0.552 53.564 54.000 0.194 0.000 0.830 309 D CB 1.259 42.223 40.800 0.272 0.000 1.356 309 D HN 0.533 nan 8.370 nan 0.000 0.437 310 H N 0.837 120.014 119.070 0.178 0.000 2.724 310 H HA 0.381 4.937 4.556 0.000 0.000 0.278 310 H C -1.796 173.521 175.328 -0.018 0.000 1.159 310 H CA -1.656 54.403 56.048 0.019 0.000 1.254 310 H CB 1.184 30.930 29.762 -0.028 0.000 1.412 310 H HN 0.037 nan 8.280 nan 0.000 0.488 311 P HA 0.039 nan 4.420 nan 0.000 0.274 311 P C -0.406 176.880 177.300 -0.023 0.000 1.237 311 P CA -0.255 62.774 63.100 -0.117 0.000 0.793 311 P CB 1.701 33.163 31.700 -0.397 0.000 0.977 312 E N 0.516 120.709 120.200 -0.011 0.000 2.292 312 E HA 0.559 4.909 4.350 0.000 0.000 0.272 312 E C -0.752 175.908 176.600 0.100 0.000 0.881 312 E CA -0.898 55.523 56.400 0.033 0.000 0.754 312 E CB 1.562 31.225 29.700 -0.062 0.000 1.201 312 E HN 0.553 nan 8.360 nan 0.000 0.425 313 G N 1.304 110.175 108.800 0.118 0.000 2.552 313 G HA2 0.600 4.560 3.960 0.000 0.000 0.318 313 G HA3 0.600 4.560 3.960 0.000 0.000 0.318 313 G C -1.208 173.780 174.900 0.147 0.000 1.240 313 G CA -0.495 44.672 45.100 0.112 0.000 1.002 313 G HN 0.381 nan 8.290 nan 0.000 0.493 314 V N -0.678 119.337 119.914 0.168 0.000 2.760 314 V HA 0.633 4.754 4.120 0.000 0.000 0.309 314 V C -1.124 175.090 176.094 0.201 0.000 1.077 314 V CA -0.562 61.871 62.300 0.222 0.000 0.910 314 V CB 2.163 34.150 31.823 0.274 0.000 1.008 314 V HN 0.579 nan 8.190 nan 0.000 0.424 315 V N 6.451 126.448 119.914 0.139 0.000 2.444 315 V HA 0.562 4.682 4.120 0.000 0.000 0.294 315 V C -0.412 175.597 176.094 -0.141 0.000 1.022 315 V CA -0.548 61.718 62.300 -0.056 0.000 0.850 315 V CB 1.605 33.416 31.823 -0.021 0.000 0.992 315 V HN 0.930 nan 8.190 nan 0.000 0.426 316 Q N 3.580 123.166 119.800 -0.357 0.000 2.312 316 Q HA 0.702 5.042 4.340 0.000 0.000 0.263 316 Q C -1.666 173.930 176.000 -0.673 0.000 0.995 316 Q CA -0.379 55.231 55.803 -0.322 0.000 0.853 316 Q CB 2.738 31.389 28.738 -0.145 0.000 1.300 316 Q HN 0.666 nan 8.270 nan 0.000 0.448 317 F N 0.526 120.233 119.950 -0.404 0.000 2.551 317 F HA 0.290 4.818 4.527 0.000 0.000 0.316 317 F C 0.321 175.910 175.800 -0.350 0.000 1.089 317 F CA -0.964 56.762 58.000 -0.456 0.000 0.915 317 F CB 1.681 40.175 39.000 -0.843 0.000 1.186 317 F HN 0.360 nan 8.300 nan 0.000 0.456 318 E N 1.516 121.738 120.200 0.037 0.000 2.392 318 E HA 0.408 4.758 4.350 0.000 0.000 0.264 318 E C -0.461 176.243 176.600 0.174 0.000 1.024 318 E CA -0.351 56.100 56.400 0.084 0.000 0.903 318 E CB 0.940 30.691 29.700 0.086 0.000 0.963 318 E HN 0.606 nan 8.360 nan 0.000 0.432 319 A N 2.821 125.798 122.820 0.262 0.000 2.309 319 A HA 0.142 4.462 4.320 0.000 0.000 0.298 319 A C 0.581 178.329 177.584 0.272 0.000 1.165 319 A CA -0.484 51.818 52.037 0.441 0.000 0.821 319 A CB 0.600 19.940 19.000 0.567 0.000 1.102 319 A HN 0.641 nan 8.150 nan 0.000 0.500 320 K N 0.432 120.964 120.400 0.219 0.000 2.432 320 K HA -0.022 4.298 4.320 0.000 0.000 0.196 320 K C 0.196 176.760 176.600 -0.060 0.000 1.038 320 K CA 0.961 57.273 56.287 0.041 0.000 0.986 320 K CB 0.076 32.560 32.500 -0.027 0.000 0.782 320 K HN 0.794 nan 8.250 nan 0.000 0.485 321 Q N -0.369 119.392 119.800 -0.065 0.000 2.495 321 Q HA 0.324 4.664 4.340 0.000 0.000 0.287 321 Q C -2.811 173.278 176.000 0.148 0.000 1.078 321 Q CA -2.559 53.173 55.803 -0.120 0.000 0.793 321 Q CB 1.713 30.124 28.738 -0.545 0.000 1.459 321 Q HN -0.189 nan 8.270 nan 0.000 0.422 322 P HA -0.002 nan 4.420 nan 0.000 0.267 322 P C -0.782 176.721 177.300 0.339 0.000 1.205 322 P CA 0.326 63.550 63.100 0.207 0.000 0.765 322 P CB 0.422 32.204 31.700 0.137 0.000 0.828 323 M N 2.712 122.496 119.600 0.308 0.000 2.241 323 M HA 0.098 4.578 4.480 0.000 0.000 0.335 323 M C 0.373 176.804 176.300 0.219 0.000 1.122 323 M CA -0.653 54.818 55.300 0.286 0.000 1.164 323 M CB 0.354 33.100 32.600 0.243 0.000 1.459 323 M HN 0.139 nan 8.290 nan 0.000 0.461 324 V N 0.840 120.862 119.914 0.178 0.000 2.814 324 V HA 0.154 4.274 4.120 0.000 0.000 0.307 324 V C 1.026 177.259 176.094 0.230 0.000 1.089 324 V CA 0.217 62.616 62.300 0.164 0.000 1.212 324 V CB -0.628 31.258 31.823 0.105 0.000 0.912 324 V HN 0.967 nan 8.190 nan 0.000 0.497 325 A N 2.489 125.429 122.820 0.200 0.000 2.220 325 A HA 0.282 4.602 4.320 0.000 0.000 0.211 325 A C 0.836 178.617 177.584 0.328 0.000 1.176 325 A CA 0.202 52.382 52.037 0.238 0.000 0.834 325 A CB -0.111 18.981 19.000 0.153 0.000 0.868 325 A HN 0.918 nan 8.150 nan 0.000 0.488 326 E N -0.775 119.537 120.200 0.187 0.000 2.343 326 E HA 0.632 4.982 4.350 0.000 0.000 0.270 326 E C -1.312 175.107 176.600 -0.302 0.000 0.895 326 E CA -0.363 56.054 56.400 0.029 0.000 0.767 326 E CB 1.902 31.605 29.700 0.006 0.000 1.248 326 E HN 0.061 nan 8.360 nan 0.000 0.440 327 S N -0.640 114.665 115.700 -0.658 0.000 2.615 327 S HA 0.275 4.746 4.470 0.000 0.000 0.269 327 S C 0.755 175.013 174.600 -0.569 0.000 1.161 327 S CA 0.133 57.861 58.200 -0.786 0.000 0.817 327 S CB 1.176 63.444 63.200 -1.553 0.000 1.131 327 S HN 0.602 nan 8.310 nan 0.000 0.467 328 T N 0.514 114.855 114.554 -0.356 0.000 2.701 328 T HA -0.028 4.322 4.350 0.000 0.000 0.263 328 T C 0.851 175.446 174.700 -0.174 0.000 1.040 328 T CA 1.844 63.832 62.100 -0.186 0.000 1.147 328 T CB -0.367 68.465 68.868 -0.059 0.000 0.865 328 T HN 0.724 nan 8.240 nan 0.000 0.426 329 Q N -1.844 117.838 119.800 -0.198 0.000 1.820 329 Q HA 0.305 4.645 4.340 0.000 0.000 0.179 329 Q C 0.107 176.379 176.000 0.454 0.000 0.798 329 Q CA -0.658 55.243 55.803 0.164 0.000 0.887 329 Q CB -1.276 27.631 28.738 0.281 0.000 1.240 329 Q HN 0.618 nan 8.270 nan 0.000 0.394 330 W N -1.910 119.557 121.300 0.279 0.000 1.839 330 W HA -0.230 4.430 4.660 0.000 0.000 0.248 330 W C -0.669 175.602 176.519 -0.414 0.000 0.999 330 W CA 0.758 58.095 57.345 -0.013 0.000 0.444 330 W CB -1.816 27.643 29.460 -0.001 0.000 2.008 330 W HN 0.415 nan 8.180 nan 0.000 1.324 331 W N 1.132 122.625 121.300 0.321 0.000 1.809 331 W HA 0.476 5.136 4.660 0.000 0.000 0.298 331 W C 0.951 177.734 176.519 0.440 0.000 0.905 331 W CA -0.556 56.971 57.345 0.304 0.000 1.872 331 W CB -0.195 29.462 29.460 0.328 0.000 2.092 331 W HN -0.131 nan 8.180 nan 0.000 0.403 332 E N 0.650 121.091 120.200 0.402 0.000 2.400 332 E HA 0.168 4.518 4.350 0.000 0.000 0.195 332 E C 0.411 177.111 176.600 0.167 0.000 1.012 332 E CA 0.513 57.179 56.400 0.443 0.000 0.875 332 E CB 0.990 30.938 29.700 0.414 0.000 0.859 332 E HN 0.286 nan 8.360 nan 0.000 0.498 333 I N 0.250 120.763 120.570 -0.095 0.000 2.569 333 I HA 0.374 4.544 4.170 0.000 0.000 0.296 333 I C -0.002 175.643 176.117 -0.786 0.000 1.028 333 I CA -0.830 60.101 61.300 -0.615 0.000 1.082 333 I CB 2.245 39.947 38.000 -0.496 0.000 1.264 333 I HN -0.143 nan 8.210 nan 0.000 0.429 334 G N 5.851 114.017 108.800 -1.057 0.000 2.482 334 G HA2 0.826 4.786 3.960 0.000 0.000 0.317 334 G HA3 0.826 4.786 3.960 0.000 0.000 0.317 334 G C -1.206 173.489 174.900 -0.342 0.000 1.241 334 G CA -0.426 44.312 45.100 -0.602 0.000 0.967 334 G HN 0.442 nan 8.290 nan 0.000 0.482 335 I N 0.634 120.937 120.570 -0.445 0.000 2.499 335 I HA 0.395 4.565 4.170 0.000 0.000 0.288 335 I C -1.239 174.624 176.117 -0.424 0.000 1.048 335 I CA -0.505 60.633 61.300 -0.270 0.000 1.062 335 I CB 2.192 40.104 38.000 -0.146 0.000 1.238 335 I HN 0.283 nan 8.210 nan 0.000 0.426 336 F N 3.500 123.484 119.950 0.056 0.000 2.482 336 F HA 0.658 5.185 4.527 0.000 0.000 0.331 336 F C 0.356 176.178 175.800 0.036 0.000 1.115 336 F CA -0.605 57.414 58.000 0.032 0.000 0.955 336 F CB 2.278 41.306 39.000 0.047 0.000 1.136 336 F HN 0.243 nan 8.300 nan 0.000 0.452 337 T N 4.278 118.955 114.554 0.204 0.000 2.982 337 T HA 0.429 4.779 4.350 0.000 0.000 0.321 337 T C -3.089 171.681 174.700 0.116 0.000 1.229 337 T CA -1.815 60.366 62.100 0.134 0.000 1.044 337 T CB 1.951 70.870 68.868 0.084 0.000 1.184 337 T HN 0.213 nan 8.240 nan 0.000 0.477 338 P HA 0.247 nan 4.420 nan 0.000 0.287 338 P C 0.757 178.097 177.300 0.066 0.000 1.281 338 P CA -0.271 62.878 63.100 0.082 0.000 0.781 338 P CB 1.055 32.796 31.700 0.069 0.000 0.903 339 T N -0.751 113.840 114.554 0.063 0.000 3.088 339 T HA 0.088 4.438 4.350 0.000 0.000 0.259 339 T C 0.480 175.206 174.700 0.043 0.000 1.122 339 T CA 0.557 62.685 62.100 0.046 0.000 1.095 339 T CB -0.055 68.833 68.868 0.032 0.000 0.930 339 T HN 0.286 nan 8.240 nan 0.000 0.508 340 E N 1.222 121.452 120.200 0.051 0.000 2.392 340 E HA 0.417 4.767 4.350 0.000 0.000 0.269 340 E C -1.210 175.417 176.600 0.045 0.000 0.924 340 E CA -0.807 55.621 56.400 0.047 0.000 0.784 340 E CB 1.360 31.092 29.700 0.053 0.000 1.292 340 E HN 0.227 nan 8.360 nan 0.000 0.447 341 D N -0.341 120.082 120.400 0.037 0.000 2.362 341 D HA 0.332 4.972 4.640 0.000 0.000 0.242 341 D C 1.030 177.349 176.300 0.032 0.000 1.132 341 D CA 0.929 54.948 54.000 0.032 0.000 0.907 341 D CB 0.697 41.513 40.800 0.026 0.000 1.195 341 D HN 0.684 nan 8.370 nan 0.000 0.429 342 G N 0.516 109.332 108.800 0.027 0.000 2.137 342 G HA2 -0.228 3.732 3.960 0.000 0.000 0.237 342 G HA3 -0.228 3.732 3.960 0.000 0.000 0.237 342 G C 0.040 174.954 174.900 0.023 0.000 1.002 342 G CA -0.240 44.873 45.100 0.022 0.000 0.702 342 G HN 0.384 nan 8.290 nan 0.000 0.515 343 L N 0.751 121.991 121.223 0.030 0.000 2.334 343 L HA 0.463 4.803 4.340 0.000 0.000 0.277 343 L C 1.088 177.972 176.870 0.022 0.000 1.075 343 L CA -0.321 54.539 54.840 0.032 0.000 0.804 343 L CB 1.179 43.269 42.059 0.051 0.000 1.174 343 L HN 0.279 nan 8.230 nan 0.000 0.438 344 D N 0.884 121.292 120.400 0.013 0.000 2.369 344 D HA 0.077 4.717 4.640 0.000 0.000 0.211 344 D C 0.335 176.639 176.300 0.007 0.000 1.077 344 D CA -0.014 53.989 54.000 0.005 0.000 0.842 344 D CB 0.474 41.272 40.800 -0.004 0.000 0.947 344 D HN 0.342 nan 8.370 nan 0.000 0.509 345 R N 0.188 120.701 120.500 0.020 0.000 2.668 345 R HA 0.415 4.755 4.340 0.000 0.000 0.272 345 R C -2.807 173.534 176.300 0.069 0.000 1.019 345 R CA -1.702 54.417 56.100 0.031 0.000 0.894 345 R CB 2.541 32.881 30.300 0.065 0.000 1.228 345 R HN -0.064 nan 8.270 nan 0.000 0.460 346 P HA 0.022 nan 4.420 nan 0.000 0.271 346 P C -0.622 176.787 177.300 0.182 0.000 1.216 346 P CA -0.015 63.165 63.100 0.134 0.000 0.776 346 P CB 0.865 32.684 31.700 0.199 0.000 0.881 347 D N 1.781 122.284 120.400 0.171 0.000 2.354 347 D HA 0.056 4.696 4.640 0.000 0.000 0.209 347 D C 0.390 176.783 176.300 0.154 0.000 1.015 347 D CA 0.314 54.435 54.000 0.202 0.000 0.867 347 D CB -0.185 40.728 40.800 0.189 0.000 0.933 347 D HN 0.196 nan 8.370 nan 0.000 0.520 348 L N 0.139 121.441 121.223 0.132 0.000 2.385 348 L HA 0.561 4.901 4.340 0.000 0.000 0.273 348 L C -1.313 175.610 176.870 0.088 0.000 0.990 348 L CA -0.761 54.134 54.840 0.091 0.000 0.821 348 L CB 2.308 44.409 42.059 0.070 0.000 1.279 348 L HN -0.025 nan 8.230 nan 0.000 0.412 349 M N 5.057 124.658 119.600 0.003 0.000 2.591 349 M HA 0.670 5.150 4.480 0.000 0.000 0.306 349 M C -1.768 174.457 176.300 -0.125 0.000 1.190 349 M CA -0.536 54.664 55.300 -0.167 0.000 0.889 349 M CB 2.199 34.644 32.600 -0.258 0.000 1.728 349 M HN 0.732 nan 8.290 nan 0.000 0.458 350 M N 2.053 121.534 119.600 -0.197 0.000 2.457 350 M HA 0.402 4.883 4.480 0.000 0.000 0.300 350 M C -1.602 174.656 176.300 -0.070 0.000 1.141 350 M CA -0.695 54.591 55.300 -0.024 0.000 0.901 350 M CB 2.437 35.063 32.600 0.043 0.000 1.687 350 M HN 0.709 nan 8.290 nan 0.000 0.449 351 H N 0.216 119.392 119.070 0.176 0.000 2.483 351 H HA 0.412 4.968 4.556 0.000 0.000 0.338 351 H C -1.510 174.054 175.328 0.394 0.000 1.152 351 H CA -0.080 56.172 56.048 0.340 0.000 1.264 351 H CB 1.091 31.132 29.762 0.465 0.000 1.510 351 H HN 0.514 nan 8.280 nan 0.000 0.530 352 Y N 0.933 121.429 120.300 0.326 0.000 2.335 352 Y HA 0.549 5.099 4.550 0.000 0.000 0.338 352 Y C -0.290 175.630 175.900 0.035 0.000 0.977 352 Y CA -1.080 57.112 58.100 0.153 0.000 1.114 352 Y CB 1.002 39.424 38.460 -0.063 0.000 1.182 352 Y HN 0.727 nan 8.280 nan 0.000 0.463 353 G N 2.507 110.726 108.800 -0.968 0.000 2.470 353 G HA2 0.364 4.324 3.960 0.000 0.000 0.320 353 G HA3 0.364 4.324 3.960 0.000 0.000 0.320 353 G C -0.203 173.935 174.900 -1.270 0.000 1.245 353 G CA -0.556 43.462 45.100 -1.803 0.000 0.935 353 G HN 0.862 nan 8.290 nan 0.000 0.476 354 S N -0.033 115.103 115.700 -0.939 0.000 2.803 354 S HA 0.254 4.724 4.470 0.000 0.000 0.228 354 S C 0.621 175.160 174.600 -0.101 0.000 0.953 354 S CA 0.243 58.225 58.200 -0.364 0.000 0.983 354 S CB -0.820 62.329 63.200 -0.085 0.000 0.784 354 S HN 1.369 nan 8.310 nan 0.000 0.498 355 V N -3.815 115.966 119.914 -0.221 0.000 3.078 355 V HA 0.770 4.890 4.120 0.000 0.000 0.311 355 V C -3.309 172.787 176.094 0.002 0.000 1.138 355 V CA -3.030 59.218 62.300 -0.087 0.000 1.007 355 V CB 1.609 33.351 31.823 -0.135 0.000 1.045 355 V HN -0.052 nan 8.190 nan 0.000 0.432 356 P HA 0.370 nan 4.420 nan 0.000 0.274 356 P C -1.222 176.227 177.300 0.248 0.000 1.231 356 P CA 0.088 63.257 63.100 0.115 0.000 0.790 356 P CB 0.366 32.099 31.700 0.055 0.000 0.951 357 F N 2.842 122.860 119.950 0.113 0.000 2.564 357 F HA 0.236 4.763 4.527 0.000 0.000 0.361 357 F C -0.015 175.833 175.800 0.081 0.000 1.161 357 F CA -1.002 57.098 58.000 0.167 0.000 1.198 357 F CB 0.234 39.449 39.000 0.359 0.000 1.424 357 F HN 0.137 nan 8.300 nan 0.000 0.517 358 D N 2.705 122.975 120.400 -0.215 0.000 2.358 358 D HA -0.021 4.619 4.640 0.000 0.000 0.224 358 D C 1.991 178.096 176.300 -0.325 0.000 1.123 358 D CA 0.104 53.981 54.000 -0.204 0.000 0.833 358 D CB -0.214 40.533 40.800 -0.090 0.000 0.946 358 D HN 0.567 nan 8.370 nan 0.000 0.505 359 M N 0.484 119.712 119.600 -0.620 0.000 2.116 359 M HA -0.220 4.260 4.480 0.000 0.000 0.255 359 M C 0.387 176.494 176.300 -0.320 0.000 1.075 359 M CA 1.639 56.633 55.300 -0.510 0.000 1.087 359 M CB 0.065 32.222 32.600 -0.738 0.000 1.340 359 M HN 0.000 nan 8.290 nan 0.000 0.402 360 N N -1.422 117.094 118.700 -0.306 0.000 2.184 360 N HA 0.072 4.813 4.740 0.000 0.000 0.206 360 N C 1.168 176.631 175.510 -0.078 0.000 1.151 360 N CA 1.051 53.991 53.050 -0.183 0.000 0.878 360 N CB 0.552 38.928 38.487 -0.185 0.000 1.014 360 N HN 0.532 nan 8.380 nan 0.000 0.512 361 T N -1.762 112.749 114.554 -0.072 0.000 3.034 361 T HA 0.069 4.420 4.350 0.000 0.000 0.248 361 T C 1.855 176.647 174.700 0.153 0.000 1.040 361 T CA -0.029 62.125 62.100 0.089 0.000 1.107 361 T CB -0.123 68.758 68.868 0.021 0.000 0.932 361 T HN -0.077 nan 8.240 nan 0.000 0.474 362 L N 3.059 124.281 121.223 -0.002 0.000 2.042 362 L HA 0.029 4.370 4.340 0.000 0.000 0.210 362 L C 2.702 179.511 176.870 -0.101 0.000 1.076 362 L CA 1.996 56.815 54.840 -0.035 0.000 0.749 362 L CB -0.817 41.193 42.059 -0.081 0.000 0.893 362 L HN 0.462 nan 8.230 nan 0.000 0.432 363 R N -1.932 118.436 120.500 -0.221 0.000 2.241 363 R HA -0.156 4.184 4.340 0.000 0.000 0.224 363 R C 0.992 176.997 176.300 -0.492 0.000 1.101 363 R CA 1.802 57.656 56.100 -0.411 0.000 0.995 363 R CB -0.872 29.025 30.300 -0.673 0.000 0.870 363 R HN 0.501 nan 8.270 nan 0.000 0.463 364 H N -0.532 118.488 119.070 -0.083 0.000 2.520 364 H HA 0.280 4.836 4.556 0.000 0.000 0.284 364 H C 0.774 176.010 175.328 -0.154 0.000 1.037 364 H CA 0.391 56.406 56.048 -0.055 0.000 1.168 364 H CB 1.282 31.104 29.762 0.100 0.000 1.497 364 H HN 0.535 nan 8.280 nan 0.000 0.547 365 G N -0.026 108.739 108.800 -0.059 0.000 2.143 365 G HA2 -0.332 3.628 3.960 0.000 0.000 0.249 365 G HA3 -0.332 3.628 3.960 0.000 0.000 0.249 365 G C -0.295 174.499 174.900 -0.176 0.000 0.981 365 G CA -0.321 44.701 45.100 -0.130 0.000 0.665 365 G HN 0.371 nan 8.290 nan 0.000 0.528 366 Y N 1.711 122.021 120.300 0.016 0.000 2.497 366 Y HA 0.386 4.936 4.550 0.000 0.000 0.334 366 Y C -0.859 175.030 175.900 -0.018 0.000 1.199 366 Y CA -1.092 57.012 58.100 0.007 0.000 1.425 366 Y CB 0.396 38.880 38.460 0.039 0.000 1.291 366 Y HN 0.075 nan 8.280 nan 0.000 0.562 367 P HA 0.059 nan 4.420 nan 0.000 0.272 367 P C -0.507 176.819 177.300 0.043 0.000 1.223 367 P CA -0.301 62.826 63.100 0.046 0.000 0.784 367 P CB 0.859 32.575 31.700 0.027 0.000 0.923 368 T N -2.024 112.541 114.554 0.018 0.000 2.950 368 T HA 0.676 5.026 4.350 0.000 0.000 0.288 368 T C -0.332 174.372 174.700 0.007 0.000 1.035 368 T CA -0.663 61.442 62.100 0.008 0.000 1.028 368 T CB 1.688 70.553 68.868 -0.005 0.000 1.109 368 T HN 0.535 nan 8.240 nan 0.000 0.514 369 T N -0.718 113.840 114.554 0.007 0.000 2.843 369 T HA 0.429 4.779 4.350 0.000 0.000 0.302 369 T C -0.499 174.209 174.700 0.013 0.000 1.232 369 T CA -0.607 61.502 62.100 0.015 0.000 1.009 369 T CB 2.013 70.896 68.868 0.026 0.000 1.254 369 T HN 0.752 nan 8.240 nan 0.000 0.504 370 E N 0.944 121.156 120.200 0.020 0.000 2.526 370 E HA 0.210 4.560 4.350 0.000 0.000 0.208 370 E C -0.467 176.156 176.600 0.038 0.000 0.997 370 E CA -0.073 56.336 56.400 0.015 0.000 0.961 370 E CB 0.470 30.173 29.700 0.006 0.000 1.030 370 E HN 0.402 nan 8.360 nan 0.000 0.483 371 N N 0.337 119.075 118.700 0.063 0.000 2.607 371 N HA 0.356 5.096 4.740 0.000 0.000 0.271 371 N C -0.978 174.619 175.510 0.144 0.000 1.142 371 N CA -0.202 52.913 53.050 0.109 0.000 0.810 371 N CB 1.409 39.965 38.487 0.115 0.000 1.306 371 N HN 0.114 nan 8.380 nan 0.000 0.536 372 G N 0.823 109.722 108.800 0.165 0.000 2.488 372 G HA2 0.563 4.523 3.960 0.000 0.000 0.301 372 G HA3 0.563 4.523 3.960 0.000 0.000 0.301 372 G C -1.798 173.248 174.900 0.244 0.000 1.339 372 G CA -0.722 44.481 45.100 0.172 0.000 0.803 372 G HN 0.385 nan 8.290 nan 0.000 0.482 373 F N -1.532 118.526 119.950 0.181 0.000 2.664 373 F HA 0.906 5.434 4.527 0.000 0.000 0.317 373 F C -0.435 175.479 175.800 0.191 0.000 1.108 373 F CA -1.379 56.694 58.000 0.122 0.000 0.957 373 F CB 1.712 40.849 39.000 0.228 0.000 1.365 373 F HN 0.485 nan 8.300 nan 0.000 0.475 374 S N 1.251 117.129 115.700 0.296 0.000 2.536 374 S HA 0.773 5.243 4.470 0.000 0.000 0.287 374 S C -1.235 173.628 174.600 0.439 0.000 1.101 374 S CA -0.699 57.677 58.200 0.293 0.000 0.950 374 S CB 1.748 65.129 63.200 0.302 0.000 1.056 374 S HN 0.624 nan 8.310 nan 0.000 0.481 375 L N 2.603 124.096 121.223 0.450 0.000 2.356 375 L HA 0.577 4.917 4.340 0.000 0.000 0.277 375 L C -0.194 176.891 176.870 0.358 0.000 0.996 375 L CA -0.575 54.526 54.840 0.436 0.000 0.822 375 L CB 2.025 44.344 42.059 0.433 0.000 1.256 375 L HN 0.765 nan 8.230 nan 0.000 0.413 376 T N 0.182 114.955 114.554 0.364 0.000 3.053 376 T HA 0.436 4.787 4.350 0.000 0.000 0.363 376 T C -2.625 172.205 174.700 0.217 0.000 1.239 376 T CA -2.111 60.155 62.100 0.277 0.000 1.071 376 T CB 0.842 69.845 68.868 0.224 0.000 1.089 376 T HN 0.170 nan 8.240 nan 0.000 0.527 377 P HA 0.266 nan 4.420 nan 0.000 0.275 377 P C -0.760 176.603 177.300 0.106 0.000 1.227 377 P CA -0.278 62.896 63.100 0.123 0.000 0.781 377 P CB 0.719 32.487 31.700 0.113 0.000 0.906 378 N N 0.599 119.343 118.700 0.075 0.000 2.321 378 N HA 0.387 5.127 4.740 0.000 0.000 0.290 378 N C -1.518 174.017 175.510 0.043 0.000 1.212 378 N CA -1.055 52.029 53.050 0.056 0.000 0.767 378 N CB 1.167 39.672 38.487 0.031 0.000 1.494 378 N HN -0.028 nan 8.380 nan 0.000 0.479 379 V N 1.461 121.421 119.914 0.076 0.000 2.364 379 V HA 0.222 4.343 4.120 0.000 0.000 0.272 379 V C 1.433 177.585 176.094 0.098 0.000 1.036 379 V CA -0.112 62.256 62.300 0.112 0.000 0.880 379 V CB 0.397 32.320 31.823 0.166 0.000 0.991 379 V HN 1.035 nan 8.190 nan 0.000 0.460 380 T N 0.368 114.947 114.554 0.042 0.000 2.985 380 T HA -0.046 4.304 4.350 0.000 0.000 0.266 380 T C 0.743 175.334 174.700 -0.181 0.000 1.076 380 T CA 0.938 62.939 62.100 -0.166 0.000 1.135 380 T CB -0.099 68.713 68.868 -0.093 0.000 0.890 380 T HN 0.669 nan 8.240 nan 0.000 0.480 381 H N 1.285 120.497 119.070 0.237 0.000 2.380 381 H HA 0.650 5.207 4.556 0.000 0.000 0.231 381 H C -0.184 175.256 175.328 0.188 0.000 1.415 381 H CA -0.857 55.319 56.048 0.213 0.000 1.433 381 H CB 0.300 30.160 29.762 0.163 0.000 1.544 381 H HN 0.452 nan 8.280 nan 0.000 0.503 382 A N 1.719 124.684 122.820 0.241 0.000 2.511 382 A HA 0.106 4.426 4.320 0.000 0.000 0.242 382 A C 1.338 178.977 177.584 0.091 0.000 1.069 382 A CA -0.171 51.980 52.037 0.191 0.000 0.763 382 A CB 0.511 19.587 19.000 0.126 0.000 1.001 382 A HN 0.642 nan 8.150 nan 0.000 0.498 383 R N 1.562 122.088 120.500 0.044 0.000 2.246 383 R HA 0.048 4.388 4.340 0.000 0.000 0.199 383 R C 0.301 176.601 176.300 -0.001 0.000 0.984 383 R CA 0.306 56.392 56.100 -0.023 0.000 1.015 383 R CB -0.061 30.186 30.300 -0.089 0.000 0.930 383 R HN 0.667 nan 8.270 nan 0.000 0.475 384 S N 1.430 117.132 115.700 0.003 0.000 2.572 384 S HA 0.179 4.649 4.470 0.000 0.000 0.279 384 S C 0.204 174.766 174.600 -0.063 0.000 1.341 384 S CA -0.011 58.169 58.200 -0.034 0.000 1.043 384 S CB 0.746 63.901 63.200 -0.075 0.000 0.887 384 S HN 0.106 nan 8.310 nan 0.000 0.516 385 R N 1.101 121.556 120.500 -0.074 0.000 2.575 385 R HA 0.631 4.971 4.340 0.000 0.000 0.293 385 R C 0.259 176.482 176.300 -0.129 0.000 0.983 385 R CA -0.534 55.513 56.100 -0.089 0.000 0.887 385 R CB 1.670 31.945 30.300 -0.042 0.000 1.184 385 R HN 0.775 nan 8.270 nan 0.000 0.445 386 G N 0.051 108.749 108.800 -0.170 0.000 3.209 386 G HA2 0.676 4.636 3.960 0.000 0.000 0.236 386 G HA3 0.676 4.636 3.960 0.000 0.000 0.236 386 G C -0.861 173.920 174.900 -0.198 0.000 1.329 386 G CA -0.353 44.632 45.100 -0.193 0.000 1.015 386 G HN 0.528 nan 8.290 nan 0.000 0.571 387 T N -3.530 110.904 114.554 -0.200 0.000 2.883 387 T HA 0.641 4.991 4.350 0.000 0.000 0.301 387 T C -1.381 173.196 174.700 -0.205 0.000 1.158 387 T CA -0.650 61.322 62.100 -0.213 0.000 1.007 387 T CB 1.796 70.536 68.868 -0.213 0.000 1.186 387 T HN 0.634 nan 8.240 nan 0.000 0.499 388 V N 1.931 121.718 119.914 -0.212 0.000 2.409 388 V HA 0.653 4.774 4.120 0.000 0.000 0.291 388 V C -0.064 175.921 176.094 -0.181 0.000 1.020 388 V CA -0.761 61.418 62.300 -0.201 0.000 0.848 388 V CB 1.381 33.071 31.823 -0.223 0.000 0.990 388 V HN 0.838 nan 8.190 nan 0.000 0.430 389 R N 3.569 123.980 120.500 -0.148 0.000 2.837 389 R HA 0.654 4.994 4.340 0.000 0.000 0.271 389 R C -1.200 175.118 176.300 0.029 0.000 0.993 389 R CA -1.060 54.983 56.100 -0.094 0.000 0.931 389 R CB 2.406 32.579 30.300 -0.213 0.000 1.206 389 R HN 0.505 nan 8.270 nan 0.000 0.474 390 L N 2.066 123.436 121.223 0.246 0.000 2.416 390 L HA 0.224 4.564 4.340 0.000 0.000 0.272 390 L C 1.853 178.613 176.870 -0.183 0.000 1.161 390 L CA 0.171 54.947 54.840 -0.107 0.000 0.845 390 L CB 0.611 42.423 42.059 -0.410 0.000 1.119 390 L HN 0.591 nan 8.230 nan 0.000 0.464 391 R N 1.436 121.832 120.500 -0.174 0.000 2.153 391 R HA -0.012 4.329 4.340 0.000 0.000 0.218 391 R C 0.378 176.585 176.300 -0.155 0.000 1.072 391 R CA 0.939 56.982 56.100 -0.095 0.000 0.990 391 R CB 0.401 30.672 30.300 -0.048 0.000 0.889 391 R HN 0.872 nan 8.270 nan 0.000 0.452 392 S N -1.949 113.547 115.700 -0.340 0.000 2.656 392 S HA 0.099 4.569 4.470 0.000 0.000 0.265 392 S C 0.012 174.457 174.600 -0.257 0.000 1.132 392 S CA -0.926 57.139 58.200 -0.224 0.000 0.819 392 S CB 0.658 63.830 63.200 -0.045 0.000 1.119 392 S HN 0.323 nan 8.310 nan 0.000 0.476 393 R N 0.101 120.560 120.500 -0.069 0.000 2.313 393 R HA 0.156 4.496 4.340 0.000 0.000 0.199 393 R C -0.276 176.027 176.300 0.005 0.000 0.958 393 R CA 0.390 56.473 56.100 -0.028 0.000 1.047 393 R CB -0.475 29.846 30.300 0.035 0.000 0.955 393 R HN 0.559 nan 8.270 nan 0.000 0.481 394 D N 1.536 121.924 120.400 -0.019 0.000 2.316 394 D HA -0.042 4.598 4.640 0.000 0.000 0.245 394 D C 0.871 177.135 176.300 -0.060 0.000 1.171 394 D CA -0.906 53.079 54.000 -0.025 0.000 0.856 394 D CB 0.615 41.362 40.800 -0.089 0.000 1.090 394 D HN 0.233 nan 8.370 nan 0.000 0.476 395 F N 3.522 123.443 119.950 -0.048 0.000 2.307 395 F HA -0.082 4.445 4.527 0.000 0.000 0.301 395 F C 1.361 177.149 175.800 -0.021 0.000 1.076 395 F CA 0.629 58.604 58.000 -0.041 0.000 1.383 395 F CB -0.198 38.782 39.000 -0.033 0.000 1.055 395 F HN 0.199 nan 8.300 nan 0.000 0.526 396 R N 0.321 120.301 120.500 -0.866 0.000 2.299 396 R HA 0.082 4.423 4.340 0.000 0.000 0.197 396 R C -0.385 175.776 176.300 -0.233 0.000 0.971 396 R CA 0.298 56.026 56.100 -0.619 0.000 1.030 396 R CB -0.530 29.327 30.300 -0.739 0.000 0.932 396 R HN 0.220 nan 8.270 nan 0.000 0.477 397 D N 1.672 121.972 120.400 -0.168 0.000 2.264 397 D HA 0.098 4.738 4.640 0.000 0.000 0.250 397 D C -0.241 176.053 176.300 -0.010 0.000 1.113 397 D CA -0.139 53.819 54.000 -0.070 0.000 0.871 397 D CB 0.995 41.752 40.800 -0.071 0.000 1.167 397 D HN -0.082 nan 8.370 nan 0.000 0.447 398 K N 3.104 123.542 120.400 0.064 0.000 2.485 398 K HA 0.100 4.421 4.320 0.000 0.000 0.277 398 K C -1.980 174.631 176.600 0.017 0.000 0.990 398 K CA -0.836 55.540 56.287 0.149 0.000 0.994 398 K CB 0.283 32.947 32.500 0.273 0.000 0.906 398 K HN 0.274 nan 8.250 nan 0.000 0.488 399 P HA 0.001 nan 4.420 nan 0.000 0.274 399 P C -0.681 176.559 177.300 -0.100 0.000 1.256 399 P CA -0.061 62.953 63.100 -0.143 0.000 0.795 399 P CB 0.565 32.110 31.700 -0.258 0.000 1.038 400 M N 0.787 120.337 119.600 -0.083 0.000 2.108 400 M HA 0.221 4.701 4.480 0.000 0.000 0.347 400 M C -0.535 175.710 176.300 -0.091 0.000 1.326 400 M CA -0.426 54.842 55.300 -0.054 0.000 1.126 400 M CB 0.585 33.167 32.600 -0.031 0.000 1.606 400 M HN -0.004 nan 8.290 nan 0.000 0.462 401 V N 2.797 122.670 119.914 -0.069 0.000 2.347 401 V HA 0.273 4.393 4.120 0.000 0.000 0.280 401 V C -0.535 175.531 176.094 -0.047 0.000 1.021 401 V CA -0.417 61.828 62.300 -0.092 0.000 0.847 401 V CB 1.429 33.208 31.823 -0.074 0.000 0.990 401 V HN 0.674 nan 8.190 nan 0.000 0.444 402 D N 6.653 126.993 120.400 -0.100 0.000 2.378 402 D HA 0.418 5.059 4.640 0.000 0.000 0.265 402 D C -2.068 174.118 176.300 -0.190 0.000 1.229 402 D CA -1.902 52.039 54.000 -0.098 0.000 0.914 402 D CB 2.343 43.093 40.800 -0.084 0.000 1.140 402 D HN 0.184 nan 8.370 nan 0.000 0.516 403 P HA 0.006 nan 4.420 nan 0.000 0.230 403 P C -0.273 176.702 177.300 -0.541 0.000 1.158 403 P CA 0.226 62.992 63.100 -0.557 0.000 0.769 403 P CB 0.168 31.191 31.700 -1.129 0.000 0.807 404 R N -2.576 117.719 120.500 -0.342 0.000 3.333 404 R HA -0.197 4.143 4.340 0.000 0.000 0.256 404 R C -0.611 175.593 176.300 -0.159 0.000 1.010 404 R CA 0.220 56.218 56.100 -0.169 0.000 0.680 404 R CB -3.021 27.208 30.300 -0.119 0.000 1.102 404 R HN 0.358 nan 8.270 nan 0.000 0.440 405 Y N 0.648 120.909 120.300 -0.064 0.000 2.712 405 Y HA -0.102 4.448 4.550 0.000 0.000 0.333 405 Y C 1.429 177.238 175.900 -0.151 0.000 1.225 405 Y CA 0.571 58.499 58.100 -0.286 0.000 1.499 405 Y CB 0.167 38.412 38.460 -0.358 0.000 1.288 405 Y HN 0.197 nan 8.280 nan 0.000 0.575 406 F N 0.210 120.235 119.950 0.124 0.000 3.091 406 F HA -0.282 4.245 4.527 0.000 0.000 0.288 406 F C 1.093 176.931 175.800 0.064 0.000 0.907 406 F CA 1.052 59.093 58.000 0.069 0.000 1.028 406 F CB -2.268 36.747 39.000 0.025 0.000 1.022 406 F HN 0.612 nan 8.300 nan 0.000 0.665 407 T N -3.910 110.729 114.554 0.143 0.000 3.044 407 T HA 0.093 4.443 4.350 0.000 0.000 0.260 407 T C 0.400 175.148 174.700 0.081 0.000 1.019 407 T CA 0.128 62.289 62.100 0.102 0.000 0.921 407 T CB 0.029 68.929 68.868 0.053 0.000 1.053 407 T HN 0.503 nan 8.240 nan 0.000 0.533 408 D N 2.946 123.402 120.400 0.093 0.000 2.458 408 D HA 0.030 4.670 4.640 0.000 0.000 0.243 408 D C -1.442 174.912 176.300 0.090 0.000 1.146 408 D CA -1.185 52.864 54.000 0.081 0.000 0.877 408 D CB 1.654 42.507 40.800 0.089 0.000 1.176 408 D HN 0.110 nan 8.370 nan 0.000 0.461 409 P HA -0.138 nan 4.420 nan 0.000 0.223 409 P C 0.981 178.324 177.300 0.072 0.000 1.151 409 P CA 0.756 63.893 63.100 0.062 0.000 0.787 409 P CB 0.267 31.993 31.700 0.044 0.000 0.788 410 E N 0.310 120.562 120.200 0.087 0.000 2.502 410 E HA 0.020 4.370 4.350 0.000 0.000 0.194 410 E C 0.989 177.661 176.600 0.121 0.000 1.062 410 E CA 0.437 56.896 56.400 0.098 0.000 0.867 410 E CB -0.701 29.064 29.700 0.109 0.000 0.888 410 E HN 0.171 nan 8.360 nan 0.000 0.510 411 G N 1.790 110.670 108.800 0.134 0.000 2.296 411 G HA2 -0.371 3.589 3.960 0.000 0.000 0.282 411 G HA3 -0.371 3.589 3.960 0.000 0.000 0.282 411 G C 0.450 175.456 174.900 0.177 0.000 1.014 411 G CA 1.215 46.403 45.100 0.147 0.000 0.812 411 G HN 0.651 nan 8.290 nan 0.000 0.508 412 H N -0.171 118.963 119.070 0.107 0.000 2.319 412 H HA -0.078 4.478 4.556 0.000 0.000 0.299 412 H C 2.225 177.641 175.328 0.148 0.000 1.092 412 H CA 2.263 58.378 56.048 0.111 0.000 1.302 412 H CB 0.122 29.945 29.762 0.101 0.000 1.373 412 H HN 0.379 nan 8.280 nan 0.000 0.497 413 D N 0.001 120.604 120.400 0.340 0.000 2.097 413 D HA -0.149 4.491 4.640 0.000 0.000 0.195 413 D C 2.207 178.734 176.300 0.377 0.000 0.989 413 D CA 1.283 55.490 54.000 0.345 0.000 0.827 413 D CB -0.392 40.584 40.800 0.294 0.000 0.966 413 D HN 0.390 nan 8.370 nan 0.000 0.456 414 M N 0.648 120.462 119.600 0.356 0.000 2.117 414 M HA -0.088 4.392 4.480 0.000 0.000 0.262 414 M C 2.006 178.319 176.300 0.021 0.000 1.065 414 M CA 1.391 56.742 55.300 0.084 0.000 1.114 414 M CB -0.152 32.440 32.600 -0.014 0.000 1.361 414 M HN -0.154 nan 8.290 nan 0.000 0.408 415 R N -0.709 119.804 120.500 0.022 0.000 2.083 415 R HA -0.144 4.196 4.340 0.000 0.000 0.237 415 R C 1.799 178.076 176.300 -0.039 0.000 1.137 415 R CA 2.182 58.273 56.100 -0.015 0.000 0.951 415 R CB -0.582 29.706 30.300 -0.020 0.000 0.851 415 R HN 0.353 nan 8.270 nan 0.000 0.434 416 V N 1.073 120.931 119.914 -0.094 0.000 2.343 416 V HA -0.258 3.862 4.120 0.000 0.000 0.247 416 V C 2.409 178.512 176.094 0.015 0.000 1.051 416 V CA 1.893 64.148 62.300 -0.074 0.000 1.036 416 V CB -0.451 31.280 31.823 -0.154 0.000 0.654 416 V HN 0.396 nan 8.190 nan 0.000 0.451 417 M N -0.012 119.625 119.600 0.061 0.000 2.117 417 M HA -0.120 4.360 4.480 0.000 0.000 0.262 417 M C 1.995 178.318 176.300 0.039 0.000 1.065 417 M CA 1.802 57.150 55.300 0.079 0.000 1.114 417 M CB -0.555 32.115 32.600 0.117 0.000 1.361 417 M HN 0.129 nan 8.290 nan 0.000 0.408 418 V N 0.352 120.271 119.914 0.009 0.000 2.287 418 V HA -0.283 3.838 4.120 0.000 0.000 0.248 418 V C 2.547 178.655 176.094 0.023 0.000 1.053 418 V CA 1.915 64.220 62.300 0.009 0.000 1.027 418 V CB -1.653 30.167 31.823 -0.006 0.000 0.646 418 V HN 0.640 nan 8.190 nan 0.000 0.447 419 A N 0.371 123.203 122.820 0.020 0.000 1.933 419 A HA -0.107 4.213 4.320 0.000 0.000 0.218 419 A C 2.412 180.021 177.584 0.042 0.000 1.175 419 A CA 1.955 54.008 52.037 0.026 0.000 0.628 419 A CB -1.188 17.823 19.000 0.018 0.000 0.814 419 A HN 0.543 nan 8.150 nan 0.000 0.444 420 G N 0.022 108.852 108.800 0.050 0.000 2.418 420 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 420 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 420 G C 1.535 176.484 174.900 0.082 0.000 1.158 420 G CA 1.119 46.259 45.100 0.068 0.000 0.771 420 G HN 0.479 nan 8.290 nan 0.000 0.545 421 I N 0.072 120.689 120.570 0.078 0.000 2.179 421 I HA -0.158 4.012 4.170 0.000 0.000 0.242 421 I C 3.073 179.233 176.117 0.072 0.000 1.088 421 I CA 1.017 62.364 61.300 0.080 0.000 1.357 421 I CB -0.229 37.809 38.000 0.063 0.000 1.051 421 I HN 0.100 nan 8.210 nan 0.000 0.409 422 R N 0.605 121.138 120.500 0.054 0.000 2.091 422 R HA -0.226 4.114 4.340 0.000 0.000 0.238 422 R C 2.313 178.652 176.300 0.065 0.000 1.136 422 R CA 1.445 57.576 56.100 0.052 0.000 0.959 422 R CB -0.282 30.040 30.300 0.037 0.000 0.856 422 R HN 0.109 nan 8.270 nan 0.000 0.437 423 K N 0.816 121.255 120.400 0.065 0.000 2.062 423 K HA -0.012 4.309 4.320 0.000 0.000 0.205 423 K C 1.841 178.492 176.600 0.085 0.000 1.051 423 K CA 1.508 57.833 56.287 0.064 0.000 0.941 423 K CB -0.287 32.245 32.500 0.055 0.000 0.719 423 K HN 0.137 nan 8.250 nan 0.000 0.440 424 A N 0.947 123.837 122.820 0.117 0.000 1.908 424 A HA -0.180 4.140 4.320 0.000 0.000 0.218 424 A C 2.164 179.877 177.584 0.214 0.000 1.181 424 A CA 1.782 53.923 52.037 0.174 0.000 0.627 424 A CB -0.516 18.616 19.000 0.219 0.000 0.818 424 A HN 0.357 nan 8.150 nan 0.000 0.445 425 R N -0.766 119.860 120.500 0.210 0.000 2.083 425 R HA -0.169 4.172 4.340 0.000 0.000 0.237 425 R C 2.358 178.735 176.300 0.129 0.000 1.137 425 R CA 1.578 57.816 56.100 0.230 0.000 0.951 425 R CB -0.375 30.027 30.300 0.169 0.000 0.851 425 R HN 0.792 nan 8.270 nan 0.000 0.434 426 E N 0.905 121.157 120.200 0.086 0.000 2.070 426 E HA -0.229 4.121 4.350 0.000 0.000 0.197 426 E C 1.922 178.539 176.600 0.029 0.000 1.004 426 E CA 1.426 57.856 56.400 0.050 0.000 0.805 426 E CB -0.048 29.677 29.700 0.041 0.000 0.744 426 E HN 0.316 nan 8.360 nan 0.000 0.451 427 I N 0.700 121.288 120.570 0.029 0.000 2.202 427 I HA -0.222 3.948 4.170 0.000 0.000 0.242 427 I C 2.554 178.649 176.117 -0.037 0.000 1.091 427 I CA 0.983 62.279 61.300 -0.007 0.000 1.368 427 I CB -0.345 37.651 38.000 -0.007 0.000 1.058 427 I HN 0.157 nan 8.210 nan 0.000 0.410 428 A N 0.553 123.353 122.820 -0.032 0.000 2.125 428 A HA -0.001 4.319 4.320 0.000 0.000 0.219 428 A C 2.297 179.810 177.584 -0.119 0.000 1.156 428 A CA 1.577 53.526 52.037 -0.147 0.000 0.671 428 A CB -0.530 18.227 19.000 -0.405 0.000 0.794 428 A HN 0.448 nan 8.150 nan 0.000 0.459 429 A N -1.242 121.553 122.820 -0.042 0.000 2.238 429 A HA 0.206 4.526 4.320 0.000 0.000 0.210 429 A C 0.935 178.513 177.584 -0.010 0.000 1.179 429 A CA -0.138 51.892 52.037 -0.011 0.000 0.827 429 A CB -0.050 18.965 19.000 0.024 0.000 0.856 429 A HN 0.454 nan 8.150 nan 0.000 0.488 430 Q N 0.046 119.833 119.800 -0.021 0.000 2.421 430 Q HA 0.121 4.461 4.340 0.000 0.000 0.255 430 Q C -1.614 174.377 176.000 -0.014 0.000 1.013 430 Q CA -1.775 54.018 55.803 -0.018 0.000 0.895 430 Q CB 0.042 28.763 28.738 -0.029 0.000 1.271 430 Q HN 0.104 nan 8.270 nan 0.000 0.460 431 P HA -0.215 nan 4.420 nan 0.000 0.216 431 P C 0.783 178.083 177.300 -0.001 0.000 1.154 431 P CA 2.215 65.312 63.100 -0.005 0.000 0.865 431 P CB 0.029 31.725 31.700 -0.006 0.000 0.789 432 A N -1.474 121.341 122.820 -0.008 0.000 2.131 432 A HA -0.138 4.182 4.320 0.000 0.000 0.220 432 A C 1.914 179.513 177.584 0.025 0.000 1.158 432 A CA 1.473 53.509 52.037 -0.002 0.000 0.665 432 A CB -1.051 17.931 19.000 -0.030 0.000 0.795 432 A HN 0.107 nan 8.150 nan 0.000 0.460 433 M N -1.320 118.287 119.600 0.013 0.000 2.356 433 M HA 0.250 4.730 4.480 0.000 0.000 0.262 433 M C 1.929 178.282 176.300 0.088 0.000 1.097 433 M CA 0.601 55.933 55.300 0.053 0.000 0.991 433 M CB -0.547 32.025 32.600 -0.047 0.000 1.450 433 M HN 0.446 nan 8.290 nan 0.000 0.495 434 A N 0.446 123.292 122.820 0.043 0.000 2.019 434 A HA -0.096 4.224 4.320 0.000 0.000 0.219 434 A C 1.763 179.339 177.584 -0.013 0.000 1.164 434 A CA 1.331 53.377 52.037 0.015 0.000 0.644 434 A CB -0.189 18.811 19.000 -0.001 0.000 0.805 434 A HN 0.358 nan 8.150 nan 0.000 0.449 435 E N -2.272 117.894 120.200 -0.056 0.000 2.489 435 E HA -0.012 4.338 4.350 0.000 0.000 0.193 435 E C 0.786 177.134 176.600 -0.420 0.000 1.057 435 E CA 0.186 56.437 56.400 -0.248 0.000 0.866 435 E CB -0.088 29.396 29.700 -0.359 0.000 0.916 435 E HN 0.915 nan 8.360 nan 0.000 0.500 436 W N 0.358 121.656 121.300 -0.003 0.000 3.638 436 W HA 0.067 4.727 4.660 0.000 0.000 0.226 436 W C 0.622 177.238 176.519 0.162 0.000 1.065 436 W CA -0.003 57.363 57.345 0.035 0.000 1.751 436 W CB 0.040 29.444 29.460 -0.093 0.000 0.873 436 W HN -0.287 nan 8.180 nan 0.000 0.786 437 T N 1.730 116.488 114.554 0.339 0.000 2.754 437 T HA 0.380 4.730 4.350 0.000 0.000 0.282 437 T C 0.591 175.392 174.700 0.167 0.000 0.923 437 T CA 0.439 62.681 62.100 0.237 0.000 1.164 437 T CB 0.314 69.165 68.868 -0.029 0.000 0.873 437 T HN 0.153 nan 8.240 nan 0.000 0.537 438 G N 2.368 111.296 108.800 0.214 0.000 2.773 438 G HA2 0.483 4.443 3.960 0.000 0.000 0.186 438 G HA3 0.483 4.443 3.960 0.000 0.000 0.186 438 G C 0.079 175.106 174.900 0.212 0.000 1.411 438 G CA -0.899 44.302 45.100 0.168 0.000 1.054 438 G HN 0.629 nan 8.290 nan 0.000 0.579 439 R N 0.830 121.421 120.500 0.150 0.000 2.538 439 R HA 0.063 4.403 4.340 0.000 0.000 0.282 439 R C 0.304 176.684 176.300 0.134 0.000 1.009 439 R CA 0.124 56.297 56.100 0.123 0.000 1.063 439 R CB -0.003 30.334 30.300 0.062 0.000 0.945 439 R HN 0.499 nan 8.270 nan 0.000 0.414 440 E N 4.440 124.690 120.200 0.084 0.000 2.265 440 E HA -0.012 4.338 4.350 0.000 0.000 0.272 440 E C 0.229 176.706 176.600 -0.205 0.000 1.067 440 E CA -0.106 56.157 56.400 -0.227 0.000 0.900 440 E CB 0.494 30.032 29.700 -0.271 0.000 1.017 440 E HN 0.710 nan 8.360 nan 0.000 0.431 441 L N 3.178 124.250 121.223 -0.252 0.000 2.127 441 L HA 0.002 4.343 4.340 0.000 0.000 0.203 441 L C 0.926 177.738 176.870 -0.098 0.000 1.080 441 L CA 0.480 55.250 54.840 -0.117 0.000 0.768 441 L CB -0.031 41.977 42.059 -0.085 0.000 0.924 441 L HN 0.459 nan 8.230 nan 0.000 0.444 442 S N -2.369 113.171 115.700 -0.267 0.000 2.546 442 S HA 0.380 4.850 4.470 0.000 0.000 0.272 442 S C -2.381 171.870 174.600 -0.583 0.000 1.140 442 S CA -1.151 56.799 58.200 -0.416 0.000 0.920 442 S CB 1.909 64.861 63.200 -0.413 0.000 1.083 442 S HN -0.195 nan 8.310 nan 0.000 0.476 443 P HA 0.195 nan 4.420 nan 0.000 0.230 443 P C 0.888 177.970 177.300 -0.364 0.000 1.158 443 P CA 1.346 63.755 63.100 -1.151 0.000 0.769 443 P CB -0.605 30.221 31.700 -1.458 0.000 0.807 444 G N -0.025 108.602 108.800 -0.289 0.000 2.719 444 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 444 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 444 G C 0.469 175.303 174.900 -0.111 0.000 1.201 444 G CA -0.429 44.594 45.100 -0.129 0.000 0.768 444 G HN 0.118 nan 8.290 nan 0.000 0.629 445 V N -1.193 118.685 119.914 -0.060 0.000 2.913 445 V HA 0.100 4.220 4.120 0.000 0.000 0.260 445 V C 2.182 178.259 176.094 -0.028 0.000 1.098 445 V CA 2.535 64.815 62.300 -0.034 0.000 1.121 445 V CB -0.091 31.733 31.823 0.002 0.000 0.714 445 V HN 0.873 nan 8.190 nan 0.000 0.487 446 E N 1.939 122.123 120.200 -0.026 0.000 2.265 446 E HA 0.073 4.423 4.350 0.000 0.000 0.196 446 E C 1.160 177.746 176.600 -0.023 0.000 0.996 446 E CA 0.857 57.246 56.400 -0.018 0.000 0.832 446 E CB -0.471 29.221 29.700 -0.013 0.000 0.756 446 E HN 0.849 nan 8.360 nan 0.000 0.491 447 A N 0.647 123.440 122.820 -0.045 0.000 2.310 447 A HA 0.242 4.562 4.320 0.000 0.000 0.300 447 A C 0.465 178.020 177.584 -0.048 0.000 1.269 447 A CA -0.371 51.636 52.037 -0.051 0.000 0.909 447 A CB 0.467 19.404 19.000 -0.106 0.000 1.144 447 A HN 0.129 nan 8.150 nan 0.000 0.540 448 Q N 0.702 120.488 119.800 -0.024 0.000 2.519 448 Q HA 0.060 4.400 4.340 0.000 0.000 0.248 448 Q C 0.950 176.947 176.000 -0.006 0.000 0.804 448 Q CA 1.241 57.036 55.803 -0.014 0.000 0.979 448 Q CB -0.178 28.556 28.738 -0.007 0.000 1.282 448 Q HN 0.895 nan 8.270 nan 0.000 0.558 449 T N 0.025 114.577 114.554 -0.003 0.000 2.860 449 T HA 0.088 4.438 4.350 0.000 0.000 0.299 449 T C 0.801 175.501 174.700 0.001 0.000 1.045 449 T CA -0.195 61.906 62.100 0.001 0.000 1.071 449 T CB 0.846 69.716 68.868 0.004 0.000 0.985 449 T HN -0.105 nan 8.240 nan 0.000 0.537 450 D N 0.434 120.836 120.400 0.003 0.000 2.116 450 D HA -0.160 4.480 4.640 0.000 0.000 0.193 450 D C 1.781 178.081 176.300 -0.001 0.000 0.998 450 D CA 1.729 55.730 54.000 0.001 0.000 0.836 450 D CB -0.282 40.520 40.800 0.003 0.000 0.951 450 D HN 0.898 nan 8.370 nan 0.000 0.449 451 E N 0.553 120.755 120.200 0.002 0.000 2.077 451 E HA -0.200 4.151 4.350 0.000 0.000 0.193 451 E C 1.836 178.441 176.600 0.008 0.000 0.989 451 E CA 0.986 57.388 56.400 0.003 0.000 0.800 451 E CB 0.108 29.812 29.700 0.007 0.000 0.746 451 E HN 0.318 nan 8.360 nan 0.000 0.452 452 E N 0.249 120.456 120.200 0.011 0.000 2.077 452 E HA -0.173 4.177 4.350 0.000 0.000 0.193 452 E C 2.259 178.880 176.600 0.035 0.000 0.989 452 E CA 1.039 57.451 56.400 0.020 0.000 0.800 452 E CB -0.014 29.691 29.700 0.008 0.000 0.746 452 E HN 0.313 nan 8.360 nan 0.000 0.452 453 L N 0.664 121.899 121.223 0.020 0.000 2.056 453 L HA -0.209 4.131 4.340 0.000 0.000 0.207 453 L C 2.522 179.419 176.870 0.045 0.000 1.078 453 L CA 1.133 55.997 54.840 0.041 0.000 0.749 453 L CB -0.363 41.704 42.059 0.013 0.000 0.901 453 L HN 0.150 nan 8.230 nan 0.000 0.433 454 Q N -0.034 119.758 119.800 -0.012 0.000 2.050 454 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 454 Q C 1.856 177.813 176.000 -0.071 0.000 0.980 454 Q CA 1.726 57.483 55.803 -0.076 0.000 0.840 454 Q CB -0.123 28.576 28.738 -0.065 0.000 0.898 454 Q HN 0.444 nan 8.270 nan 0.000 0.424 455 D N -0.222 120.171 120.400 -0.012 0.000 2.123 455 D HA -0.192 4.448 4.640 0.000 0.000 0.196 455 D C 1.573 177.876 176.300 0.004 0.000 0.992 455 D CA 1.084 55.083 54.000 -0.002 0.000 0.833 455 D CB -0.392 40.424 40.800 0.026 0.000 0.954 455 D HN 0.318 nan 8.370 nan 0.000 0.455 456 Y N 1.136 121.390 120.300 -0.077 0.000 2.145 456 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 456 Y C 2.250 178.071 175.900 -0.130 0.000 1.145 456 Y CA 1.413 59.455 58.100 -0.097 0.000 1.148 456 Y CB -0.270 38.129 38.460 -0.100 0.000 0.981 456 Y HN -0.108 nan 8.280 nan 0.000 0.507 457 I N 0.248 120.694 120.570 -0.207 0.000 2.226 457 I HA -0.320 3.850 4.170 0.000 0.000 0.245 457 I C 2.744 178.720 176.117 -0.234 0.000 1.100 457 I CA 1.642 62.755 61.300 -0.311 0.000 1.374 457 I CB -0.469 37.327 38.000 -0.340 0.000 1.057 457 I HN 0.191 nan 8.210 nan 0.000 0.413 458 R N 1.305 121.686 120.500 -0.198 0.000 2.091 458 R HA -0.204 4.136 4.340 0.000 0.000 0.238 458 R C 2.214 178.517 176.300 0.005 0.000 1.136 458 R CA 1.662 57.736 56.100 -0.042 0.000 0.959 458 R CB -0.014 30.259 30.300 -0.044 0.000 0.856 458 R HN 0.294 nan 8.270 nan 0.000 0.437 459 K N -1.102 119.199 120.400 -0.165 0.000 2.103 459 K HA -0.046 4.275 4.320 0.000 0.000 0.204 459 K C 1.625 178.047 176.600 -0.297 0.000 1.052 459 K CA 1.725 57.829 56.287 -0.305 0.000 0.945 459 K CB 0.247 32.356 32.500 -0.652 0.000 0.722 459 K HN 0.340 nan 8.250 nan 0.000 0.443 460 T N -1.953 112.361 114.554 -0.399 0.000 3.043 460 T HA 0.065 4.415 4.350 0.000 0.000 0.272 460 T C 0.260 174.758 174.700 -0.336 0.000 0.990 460 T CA -0.608 61.244 62.100 -0.413 0.000 0.897 460 T CB -0.398 68.031 68.868 -0.732 0.000 1.111 460 T HN 0.269 nan 8.240 nan 0.000 0.529 461 H N 1.084 120.014 119.070 -0.234 0.000 2.757 461 H HA 0.695 5.251 4.556 0.000 0.000 0.370 461 H C 0.327 175.569 175.328 -0.142 0.000 1.172 461 H CA -0.203 55.758 56.048 -0.145 0.000 1.426 461 H CB 0.340 30.096 29.762 -0.009 0.000 1.438 461 H HN 0.178 nan 8.280 nan 0.000 0.612 462 N N -0.923 117.738 118.700 -0.065 0.000 3.470 462 N HA 0.398 5.138 4.740 0.000 0.000 0.361 462 N C -1.260 174.130 175.510 -0.200 0.000 1.536 462 N CA -0.057 52.885 53.050 -0.180 0.000 0.642 462 N CB 1.922 40.381 38.487 -0.047 0.000 2.002 462 N HN 0.859 nan 8.380 nan 0.000 0.620 463 T N -1.123 113.187 114.554 -0.407 0.000 2.883 463 T HA 0.408 4.758 4.350 0.000 0.000 0.301 463 T C 0.074 174.406 174.700 -0.613 0.000 1.158 463 T CA -0.609 61.220 62.100 -0.452 0.000 1.007 463 T CB 0.940 69.511 68.868 -0.494 0.000 1.186 463 T HN 0.065 nan 8.240 nan 0.000 0.499 464 V N 3.074 122.707 119.914 -0.469 0.000 3.573 464 V HA 0.155 4.276 4.120 0.000 0.000 0.270 464 V C 0.143 175.930 176.094 -0.512 0.000 1.221 464 V CA 0.273 62.214 62.300 -0.599 0.000 1.163 464 V CB -2.143 29.260 31.823 -0.699 0.000 0.847 464 V HN 1.036 nan 8.190 nan 0.000 0.468 465 Y N -0.914 119.282 120.300 -0.173 0.000 3.661 465 Y HA -0.218 4.332 4.550 0.000 0.000 0.224 465 Y C 0.582 176.679 175.900 0.327 0.000 1.342 465 Y CA 0.482 58.657 58.100 0.125 0.000 1.723 465 Y CB -2.989 35.557 38.460 0.143 0.000 1.546 465 Y HN 0.586 nan 8.280 nan 0.000 0.631 466 H N -0.299 118.961 119.070 0.316 0.000 2.474 466 H HA 0.223 4.779 4.556 0.000 0.000 0.250 466 H C -2.264 173.177 175.328 0.189 0.000 1.307 466 H CA -2.105 54.107 56.048 0.273 0.000 1.058 466 H CB 0.544 30.486 29.762 0.300 0.000 1.693 466 H HN 0.054 nan 8.280 nan 0.000 0.552 467 P HA 0.005 nan 4.420 nan 0.000 0.271 467 P C -0.029 177.195 177.300 -0.127 0.000 1.220 467 P CA 0.136 63.218 63.100 -0.031 0.000 0.768 467 P CB 1.828 33.408 31.700 -0.200 0.000 0.848 468 V N -1.499 118.252 119.914 -0.271 0.000 3.206 468 V HA 0.875 4.995 4.120 0.000 0.000 0.305 468 V C 0.632 176.537 176.094 -0.314 0.000 1.257 468 V CA -0.228 61.870 62.300 -0.336 0.000 1.057 468 V CB 1.091 32.578 31.823 -0.560 0.000 1.075 468 V HN 0.749 nan 8.190 nan 0.000 0.443 469 G N 0.826 109.448 108.800 -0.296 0.000 2.157 469 G HA2 -0.223 3.737 3.960 0.000 0.000 0.239 469 G HA3 -0.223 3.737 3.960 0.000 0.000 0.239 469 G C 0.722 175.509 174.900 -0.189 0.000 0.982 469 G CA 1.038 45.968 45.100 -0.282 0.000 0.650 469 G HN 2.148 nan 8.290 nan 0.000 0.527 470 T N -2.124 112.318 114.554 -0.187 0.000 3.085 470 T HA 0.386 4.736 4.350 0.000 0.000 0.263 470 T C 0.858 175.475 174.700 -0.137 0.000 1.127 470 T CA 1.146 63.148 62.100 -0.163 0.000 1.103 470 T CB 0.624 69.382 68.868 -0.184 0.000 0.921 470 T HN 0.875 nan 8.240 nan 0.000 0.510 471 V N 2.859 122.686 119.914 -0.144 0.000 2.462 471 V HA 0.336 4.456 4.120 0.000 0.000 0.257 471 V C 0.129 176.128 176.094 -0.160 0.000 0.944 471 V CA -1.350 60.876 62.300 -0.124 0.000 0.903 471 V CB 0.076 31.831 31.823 -0.114 0.000 1.128 471 V HN 0.531 nan 8.190 nan 0.000 0.486 472 R N 2.634 123.039 120.500 -0.157 0.000 2.539 472 R HA 0.672 5.012 4.340 0.000 0.000 0.275 472 R C 0.278 176.420 176.300 -0.264 0.000 1.077 472 R CA -0.592 55.348 56.100 -0.268 0.000 1.097 472 R CB 0.935 31.047 30.300 -0.314 0.000 1.018 472 R HN 0.609 nan 8.270 nan 0.000 0.483 473 M N 0.807 120.186 119.600 -0.368 0.000 2.241 473 M HA 0.580 5.060 4.480 0.000 0.000 0.335 473 M C -0.108 176.035 176.300 -0.261 0.000 1.122 473 M CA 0.341 55.449 55.300 -0.320 0.000 1.164 473 M CB 1.338 33.651 32.600 -0.480 0.000 1.459 473 M HN 0.863 nan 8.290 nan 0.000 0.461 474 G N 0.521 109.231 108.800 -0.150 0.000 2.428 474 G HA2 0.585 4.545 3.960 0.000 0.000 0.305 474 G HA3 0.585 4.545 3.960 0.000 0.000 0.305 474 G C -1.783 173.100 174.900 -0.027 0.000 1.260 474 G CA -0.573 44.475 45.100 -0.086 0.000 0.853 474 G HN 1.084 nan 8.290 nan 0.000 0.480 475 A N -0.344 122.471 122.820 -0.008 0.000 2.511 475 A HA 0.479 4.799 4.320 0.000 0.000 0.242 475 A C 1.767 179.352 177.584 0.001 0.000 1.069 475 A CA 0.484 52.525 52.037 0.008 0.000 0.763 475 A CB 0.463 19.468 19.000 0.007 0.000 1.001 475 A HN 1.425 nan 8.150 nan 0.000 0.498 476 V N 2.321 122.241 119.914 0.011 0.000 2.313 476 V HA -0.272 3.848 4.120 0.000 0.000 0.253 476 V C 2.483 178.577 176.094 0.000 0.000 1.070 476 V CA 2.517 64.822 62.300 0.008 0.000 1.057 476 V CB -0.833 30.999 31.823 0.015 0.000 0.653 476 V HN 1.037 nan 8.190 nan 0.000 0.450 477 E N 0.611 120.811 120.200 0.001 0.000 2.489 477 E HA -0.068 4.282 4.350 0.000 0.000 0.193 477 E C 0.368 176.964 176.600 -0.006 0.000 1.057 477 E CA 0.248 56.646 56.400 -0.003 0.000 0.866 477 E CB -0.294 29.405 29.700 -0.001 0.000 0.916 477 E HN 0.623 nan 8.360 nan 0.000 0.500 478 D N 2.443 122.837 120.400 -0.009 0.000 2.411 478 D HA -0.017 4.624 4.640 0.000 0.000 0.225 478 D C 1.091 177.382 176.300 -0.015 0.000 1.156 478 D CA -0.310 53.682 54.000 -0.013 0.000 0.874 478 D CB 0.941 41.728 40.800 -0.021 0.000 1.034 478 D HN 0.229 nan 8.370 nan 0.000 0.502 479 E N 3.112 123.306 120.200 -0.010 0.000 2.204 479 E HA -0.194 4.156 4.350 0.000 0.000 0.195 479 E C 1.072 177.670 176.600 -0.003 0.000 0.990 479 E CA 0.719 57.113 56.400 -0.010 0.000 0.821 479 E CB -0.119 29.576 29.700 -0.009 0.000 0.750 479 E HN 0.405 nan 8.360 nan 0.000 0.477 480 M N 1.043 120.649 119.600 0.010 0.000 2.618 480 M HA 0.139 4.619 4.480 0.000 0.000 0.240 480 M C 0.163 176.498 176.300 0.058 0.000 1.123 480 M CA 0.387 55.721 55.300 0.058 0.000 1.060 480 M CB 0.003 32.662 32.600 0.099 0.000 1.535 480 M HN -0.111 nan 8.290 nan 0.000 0.507 481 S N 1.371 117.063 115.700 -0.014 0.000 2.420 481 S HA 0.283 4.753 4.470 0.000 0.000 0.313 481 S C -1.676 172.897 174.600 -0.046 0.000 1.079 481 S CA -1.032 57.137 58.200 -0.052 0.000 1.104 481 S CB 1.524 64.672 63.200 -0.085 0.000 0.969 481 S HN 0.060 nan 8.310 nan 0.000 0.471 482 P HA 0.016 nan 4.420 nan 0.000 0.220 482 P C -0.325 176.945 177.300 -0.050 0.000 1.148 482 P CA 0.891 63.962 63.100 -0.048 0.000 0.803 482 P CB 0.144 31.812 31.700 -0.053 0.000 0.782 483 L N -0.260 120.921 121.223 -0.070 0.000 2.334 483 L HA 0.384 4.724 4.340 0.000 0.000 0.273 483 L C 0.465 177.304 176.870 -0.052 0.000 1.013 483 L CA -1.338 53.465 54.840 -0.061 0.000 0.816 483 L CB 1.106 43.110 42.059 -0.091 0.000 1.278 483 L HN -0.116 nan 8.230 nan 0.000 0.431 484 D N 1.477 121.869 120.400 -0.014 0.000 2.433 484 D HA 0.218 4.858 4.640 0.000 0.000 0.255 484 D C -2.182 174.141 176.300 0.038 0.000 1.226 484 D CA -1.993 52.014 54.000 0.011 0.000 1.015 484 D CB 0.154 40.972 40.800 0.031 0.000 1.091 484 D HN 0.171 nan 8.370 nan 0.000 0.527 485 P HA -0.042 nan 4.420 nan 0.000 0.230 485 P C 0.156 177.671 177.300 0.359 0.000 1.158 485 P CA 0.891 64.124 63.100 0.221 0.000 0.769 485 P CB 0.035 31.876 31.700 0.235 0.000 0.807 486 E N -0.060 120.268 120.200 0.214 0.000 2.394 486 E HA 0.168 4.518 4.350 0.000 0.000 0.191 486 E C 0.595 177.303 176.600 0.180 0.000 1.044 486 E CA -0.205 56.320 56.400 0.208 0.000 0.939 486 E CB -0.288 29.484 29.700 0.120 0.000 1.089 486 E HN 0.214 nan 8.360 nan 0.000 0.456 487 L N -0.192 121.121 121.223 0.151 0.000 4.696 487 L HA -0.273 4.067 4.340 0.000 0.000 0.425 487 L C 0.241 177.140 176.870 0.048 0.000 1.115 487 L CA 0.757 55.641 54.840 0.073 0.000 0.996 487 L CB -1.530 40.599 42.059 0.117 0.000 2.077 487 L HN 0.201 nan 8.230 nan 0.000 0.792 488 R N 0.492 121.025 120.500 0.055 0.000 2.298 488 R HA 0.423 4.763 4.340 0.000 0.000 0.310 488 R C 0.188 176.506 176.300 0.029 0.000 1.068 488 R CA -0.569 55.561 56.100 0.049 0.000 0.957 488 R CB 1.275 31.608 30.300 0.056 0.000 1.003 488 R HN -0.079 nan 8.270 nan 0.000 0.454 489 V N 4.999 124.933 119.914 0.034 0.000 2.458 489 V HA -0.052 4.068 4.120 0.000 0.000 0.287 489 V C 0.689 176.789 176.094 0.010 0.000 1.009 489 V CA 0.380 62.691 62.300 0.018 0.000 1.091 489 V CB 0.003 31.851 31.823 0.042 0.000 0.960 489 V HN 0.634 nan 8.190 nan 0.000 0.476 490 K N 3.670 124.065 120.400 -0.008 0.000 2.414 490 K HA 0.382 4.703 4.320 0.000 0.000 0.272 490 K C 1.317 177.898 176.600 -0.031 0.000 0.993 490 K CA 0.799 57.078 56.287 -0.014 0.000 0.964 490 K CB 0.406 32.894 32.500 -0.020 0.000 0.925 490 K HN 1.021 nan 8.250 nan 0.000 0.487 491 G N 0.269 109.050 108.800 -0.031 0.000 2.195 491 G HA2 -0.232 3.728 3.960 0.000 0.000 0.246 491 G HA3 -0.232 3.728 3.960 0.000 0.000 0.246 491 G C -0.121 174.736 174.900 -0.072 0.000 0.984 491 G CA 0.037 45.104 45.100 -0.055 0.000 0.633 491 G HN 0.469 nan 8.290 nan 0.000 0.525 492 V N 0.503 120.390 119.914 -0.045 0.000 3.160 492 V HA 0.915 5.035 4.120 0.000 0.000 0.310 492 V C 0.280 176.407 176.094 0.056 0.000 1.181 492 V CA 0.380 62.664 62.300 -0.026 0.000 1.047 492 V CB 2.386 34.162 31.823 -0.078 0.000 1.068 492 V HN 1.056 nan 8.190 nan 0.000 0.441 493 T N -1.022 113.598 114.554 0.110 0.000 2.916 493 T HA 0.669 5.019 4.350 0.000 0.000 0.292 493 T C 0.560 175.335 174.700 0.125 0.000 1.055 493 T CA 0.059 62.218 62.100 0.099 0.000 1.009 493 T CB 1.554 70.463 68.868 0.069 0.000 1.118 493 T HN 2.235 nan 8.240 nan 0.000 0.497 494 G N 0.112 108.969 108.800 0.096 0.000 2.147 494 G HA2 -0.096 3.864 3.960 0.000 0.000 0.244 494 G HA3 -0.096 3.864 3.960 0.000 0.000 0.244 494 G C -0.410 174.543 174.900 0.089 0.000 1.005 494 G CA 0.311 45.461 45.100 0.083 0.000 0.713 494 G HN 1.187 nan 8.290 nan 0.000 0.515 495 L N 0.008 121.297 121.223 0.110 0.000 2.438 495 L HA 0.843 5.183 4.340 0.000 0.000 0.270 495 L C -0.085 176.837 176.870 0.087 0.000 0.972 495 L CA -1.076 53.827 54.840 0.105 0.000 0.831 495 L CB 1.360 43.522 42.059 0.171 0.000 1.273 495 L HN 0.232 nan 8.230 nan 0.000 0.405 496 R N 3.099 123.641 120.500 0.070 0.000 2.892 496 R HA 0.861 5.202 4.340 0.000 0.000 0.265 496 R C -1.515 174.804 176.300 0.032 0.000 1.025 496 R CA -1.117 55.015 56.100 0.053 0.000 0.982 496 R CB 2.460 32.797 30.300 0.060 0.000 1.185 496 R HN 0.389 nan 8.270 nan 0.000 0.484 497 V N 0.888 120.809 119.914 0.011 0.000 2.540 497 V HA 0.655 4.775 4.120 0.000 0.000 0.302 497 V C -0.775 175.308 176.094 -0.018 0.000 1.035 497 V CA -0.644 61.647 62.300 -0.014 0.000 0.873 497 V CB 1.665 33.464 31.823 -0.041 0.000 0.992 497 V HN 0.914 nan 8.190 nan 0.000 0.428 498 A N 4.340 127.150 122.820 -0.016 0.000 2.651 498 A HA 0.844 5.164 4.320 0.000 0.000 0.290 498 A C -0.839 176.732 177.584 -0.021 0.000 1.185 498 A CA -0.402 51.631 52.037 -0.007 0.000 0.746 498 A CB 0.626 19.636 19.000 0.017 0.000 1.213 498 A HN 0.989 nan 8.150 nan 0.000 0.429 499 D N 0.359 120.736 120.400 -0.039 0.000 3.024 499 D HA 0.386 5.026 4.640 0.000 0.000 0.354 499 D C 0.784 177.048 176.300 -0.059 0.000 1.431 499 D CA 0.162 54.140 54.000 -0.035 0.000 0.842 499 D CB 0.291 41.068 40.800 -0.039 0.000 1.437 499 D HN 0.545 nan 8.370 nan 0.000 0.507 500 A N -0.212 122.575 122.820 -0.055 0.000 2.070 500 A HA -0.022 4.298 4.320 0.000 0.000 0.220 500 A C 1.872 179.359 177.584 -0.161 0.000 1.159 500 A CA 1.976 53.962 52.037 -0.085 0.000 0.656 500 A CB -1.074 17.890 19.000 -0.059 0.000 0.800 500 A HN 0.428 nan 8.150 nan 0.000 0.453 501 S N -0.216 115.390 115.700 -0.156 0.000 2.402 501 S HA -0.192 4.278 4.470 0.000 0.000 0.233 501 S C 1.875 176.328 174.600 -0.246 0.000 1.030 501 S CA 1.664 59.751 58.200 -0.189 0.000 1.003 501 S CB -0.741 62.366 63.200 -0.154 0.000 0.813 501 S HN 0.981 nan 8.310 nan 0.000 0.477 502 V N -0.786 118.963 119.914 -0.275 0.000 3.217 502 V HA 0.153 4.273 4.120 0.000 0.000 0.264 502 V C 0.722 176.459 176.094 -0.594 0.000 1.135 502 V CA 0.417 62.487 62.300 -0.383 0.000 1.142 502 V CB -0.992 30.599 31.823 -0.387 0.000 0.754 502 V HN 0.381 nan 8.190 nan 0.000 0.484 503 M N 1.712 120.957 119.600 -0.592 0.000 2.268 503 M HA 0.192 4.672 4.480 0.000 0.000 0.349 503 M C -1.351 174.446 176.300 -0.838 0.000 1.485 503 M CA -0.945 53.821 55.300 -0.891 0.000 1.094 503 M CB 0.771 33.058 32.600 -0.522 0.000 1.843 503 M HN 0.069 nan 8.290 nan 0.000 0.460 504 P HA -0.057 nan 4.420 nan 0.000 0.222 504 P C -0.263 176.552 177.300 -0.807 0.000 1.153 504 P CA 1.220 63.816 63.100 -0.841 0.000 0.798 504 P CB 0.291 31.508 31.700 -0.806 0.000 0.796 505 E N -1.841 117.959 120.200 -0.667 0.000 2.343 505 E HA 0.231 4.582 4.350 0.000 0.000 0.278 505 E C -0.933 175.707 176.600 0.066 0.000 0.910 505 E CA -0.870 55.349 56.400 -0.303 0.000 0.757 505 E CB 0.466 29.985 29.700 -0.301 0.000 1.218 505 E HN -0.107 nan 8.360 nan 0.000 0.435 506 H N 1.868 120.961 119.070 0.039 0.000 2.836 506 H HA 0.224 4.780 4.556 0.000 0.000 0.368 506 H C 0.074 175.554 175.328 0.253 0.000 1.164 506 H CA 0.678 56.770 56.048 0.073 0.000 1.425 506 H CB 0.692 30.407 29.762 -0.078 0.000 1.414 506 H HN 0.417 nan 8.280 nan 0.000 0.614 507 V N 1.414 121.694 119.914 0.610 0.000 3.036 507 V HA 0.205 4.325 4.120 0.000 0.000 0.308 507 V C 1.147 177.306 176.094 0.109 0.000 1.070 507 V CA -0.358 62.173 62.300 0.384 0.000 1.056 507 V CB 1.056 33.087 31.823 0.345 0.000 1.084 507 V HN 0.821 nan 8.190 nan 0.000 0.471 508 T N 1.514 116.096 114.554 0.046 0.000 2.951 508 T HA 0.061 4.411 4.350 0.000 0.000 0.268 508 T C 0.689 175.277 174.700 -0.187 0.000 1.073 508 T CA 1.458 63.483 62.100 -0.124 0.000 1.134 508 T CB -0.265 68.635 68.868 0.054 0.000 0.884 508 T HN 0.999 nan 8.240 nan 0.000 0.479 509 V N -0.481 119.362 119.914 -0.118 0.000 3.177 509 V HA 0.602 4.722 4.120 0.000 0.000 0.319 509 V C -0.760 175.318 176.094 -0.028 0.000 1.125 509 V CA -1.853 60.316 62.300 -0.219 0.000 1.029 509 V CB 0.884 32.398 31.823 -0.515 0.000 1.119 509 V HN -0.022 nan 8.190 nan 0.000 0.452 510 N N 2.744 121.457 118.700 0.021 0.000 2.411 510 N HA 0.210 4.950 4.740 0.000 0.000 0.261 510 N C -1.872 173.611 175.510 -0.044 0.000 1.248 510 N CA -0.700 52.329 53.050 -0.034 0.000 0.885 510 N CB 0.318 38.905 38.487 0.167 0.000 1.062 510 N HN 0.655 nan 8.380 nan 0.000 0.471 511 P HA 0.012 nan 4.420 nan 0.000 0.255 511 P C 0.467 177.804 177.300 0.062 0.000 1.248 511 P CA 0.323 63.439 63.100 0.028 0.000 0.807 511 P CB 0.426 32.169 31.700 0.071 0.000 1.150 512 N N 1.131 119.846 118.700 0.025 0.000 2.061 512 N HA -0.145 4.595 4.740 0.000 0.000 0.193 512 N C 1.685 177.250 175.510 0.091 0.000 1.030 512 N CA 1.433 54.516 53.050 0.054 0.000 0.856 512 N CB -0.656 37.850 38.487 0.030 0.000 1.023 512 N HN -0.054 nan 8.380 nan 0.000 0.424 513 I N 0.328 120.961 120.570 0.104 0.000 2.315 513 I HA -0.171 3.999 4.170 0.000 0.000 0.248 513 I C 1.851 178.112 176.117 0.240 0.000 1.117 513 I CA 1.117 62.498 61.300 0.135 0.000 1.404 513 I CB -1.683 36.361 38.000 0.073 0.000 1.071 513 I HN 0.192 nan 8.210 nan 0.000 0.419 514 T N 1.332 116.051 114.554 0.275 0.000 2.720 514 T HA -0.110 4.240 4.350 0.000 0.000 0.268 514 T C 2.203 177.021 174.700 0.197 0.000 1.037 514 T CA 1.234 63.514 62.100 0.300 0.000 1.144 514 T CB -0.359 68.688 68.868 0.298 0.000 0.864 514 T HN 0.126 nan 8.240 nan 0.000 0.444 515 V N 1.559 121.567 119.914 0.157 0.000 2.307 515 V HA -0.183 3.937 4.120 0.000 0.000 0.245 515 V C 2.494 178.638 176.094 0.083 0.000 1.045 515 V CA 1.633 64.000 62.300 0.111 0.000 1.024 515 V CB -0.649 31.221 31.823 0.077 0.000 0.651 515 V HN 0.495 nan 8.190 nan 0.000 0.449 516 M N -1.017 118.635 119.600 0.087 0.000 2.108 516 M HA -0.257 4.223 4.480 0.000 0.000 0.261 516 M C 2.356 178.679 176.300 0.038 0.000 1.066 516 M CA 2.000 57.343 55.300 0.072 0.000 1.107 516 M CB -0.547 32.141 32.600 0.147 0.000 1.356 516 M HN 0.334 nan 8.290 nan 0.000 0.406 517 M N 0.846 120.462 119.600 0.026 0.000 2.108 517 M HA -0.198 4.282 4.480 0.000 0.000 0.261 517 M C 1.947 178.243 176.300 -0.007 0.000 1.066 517 M CA 1.950 57.190 55.300 -0.101 0.000 1.107 517 M CB -0.631 31.738 32.600 -0.384 0.000 1.356 517 M HN 0.259 nan 8.290 nan 0.000 0.406 518 I N -0.011 120.630 120.570 0.119 0.000 2.286 518 I HA -0.214 3.957 4.170 0.000 0.000 0.248 518 I C 2.535 178.738 176.117 0.143 0.000 1.115 518 I CA 1.287 62.742 61.300 0.259 0.000 1.392 518 I CB -0.925 37.214 38.000 0.232 0.000 1.065 518 I HN 0.411 nan 8.210 nan 0.000 0.418 519 G N 0.259 109.081 108.800 0.036 0.000 2.459 519 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 519 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 519 G C 1.523 176.377 174.900 -0.076 0.000 1.183 519 G CA 0.523 45.596 45.100 -0.045 0.000 0.776 519 G HN 0.308 nan 8.290 nan 0.000 0.552 520 E N 0.336 120.486 120.200 -0.083 0.000 2.097 520 E HA -0.190 4.160 4.350 0.000 0.000 0.196 520 E C 2.555 179.107 176.600 -0.080 0.000 1.000 520 E CA 1.240 57.590 56.400 -0.084 0.000 0.804 520 E CB -0.185 29.474 29.700 -0.068 0.000 0.740 520 E HN 0.338 nan 8.360 nan 0.000 0.454 521 R N 0.955 121.415 120.500 -0.066 0.000 2.075 521 R HA -0.083 4.257 4.340 0.000 0.000 0.232 521 R C 2.466 178.742 176.300 -0.040 0.000 1.126 521 R CA 1.450 57.483 56.100 -0.112 0.000 0.963 521 R CB -1.117 29.042 30.300 -0.235 0.000 0.858 521 R HN 0.230 nan 8.270 nan 0.000 0.435 522 C N -0.028 119.299 119.300 0.045 0.000 2.413 522 C HA -0.047 4.413 4.460 0.000 0.000 0.276 522 C C 2.739 177.710 174.990 -0.032 0.000 1.236 522 C CA 1.180 60.224 59.018 0.044 0.000 1.735 522 C CB -1.312 26.457 27.740 0.049 0.000 2.031 522 C HN 0.667 nan 8.230 nan 0.000 0.474 523 A N 0.069 122.845 122.820 -0.073 0.000 1.908 523 A HA -0.190 4.130 4.320 0.000 0.000 0.218 523 A C 1.837 179.362 177.584 -0.098 0.000 1.181 523 A CA 2.358 54.326 52.037 -0.115 0.000 0.627 523 A CB -0.812 18.113 19.000 -0.125 0.000 0.818 523 A HN 0.630 nan 8.150 nan 0.000 0.445 524 D N -0.043 120.308 120.400 -0.082 0.000 2.123 524 D HA -0.118 4.522 4.640 0.000 0.000 0.196 524 D C 1.915 178.178 176.300 -0.061 0.000 0.992 524 D CA 1.039 54.994 54.000 -0.075 0.000 0.833 524 D CB -0.331 40.414 40.800 -0.092 0.000 0.954 524 D HN 0.451 nan 8.370 nan 0.000 0.455 525 L N 0.153 121.345 121.223 -0.052 0.000 2.017 525 L HA -0.144 4.196 4.340 0.000 0.000 0.208 525 L C 2.456 179.322 176.870 -0.007 0.000 1.073 525 L CA 0.770 55.597 54.840 -0.022 0.000 0.745 525 L CB -0.293 41.776 42.059 0.017 0.000 0.894 525 L HN 0.049 nan 8.230 nan 0.000 0.432 526 I N -0.650 119.906 120.570 -0.023 0.000 2.142 526 I HA -0.312 3.859 4.170 0.000 0.000 0.240 526 I C 2.851 178.958 176.117 -0.017 0.000 1.078 526 I CA 1.247 62.535 61.300 -0.022 0.000 1.343 526 I CB -0.305 37.629 38.000 -0.111 0.000 1.046 526 I HN 0.203 nan 8.210 nan 0.000 0.405 527 R N 0.417 120.885 120.500 -0.053 0.000 2.091 527 R HA -0.215 4.125 4.340 0.000 0.000 0.238 527 R C 2.530 178.829 176.300 -0.001 0.000 1.136 527 R CA 1.948 58.031 56.100 -0.029 0.000 0.959 527 R CB -0.281 29.992 30.300 -0.045 0.000 0.856 527 R HN 0.269 nan 8.270 nan 0.000 0.437 528 S N -0.338 115.356 115.700 -0.009 0.000 2.370 528 S HA -0.147 4.324 4.470 0.000 0.000 0.226 528 S C 1.962 176.570 174.600 0.014 0.000 1.033 528 S CA 1.323 59.522 58.200 -0.002 0.000 1.011 528 S CB -0.230 62.961 63.200 -0.015 0.000 0.852 528 S HN 0.533 nan 8.310 nan 0.000 0.457 529 A N 0.643 123.477 122.820 0.025 0.000 1.930 529 A HA 0.243 4.563 4.320 0.000 0.000 0.217 529 A C 0.990 178.605 177.584 0.052 0.000 1.175 529 A CA 0.973 53.034 52.037 0.040 0.000 0.627 529 A CB -0.320 18.712 19.000 0.054 0.000 0.815 529 A HN 0.667 nan 8.150 nan 0.000 0.443 530 R N 0.000 120.538 120.500 0.064 0.000 2.786 530 R HA 0.000 4.340 4.340 0.000 0.000 0.208 530 R CA 0.000 56.146 56.100 0.076 0.000 0.921 530 R CB 0.000 30.332 30.300 0.053 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535