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 3ljp_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 HNTAYHPVGT 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 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 H N 4.224 123.294 119.070 0.000 0.000 2.620 2 H HA 0.561 5.117 4.556 -0.000 0.000 0.313 2 H C -1.465 173.848 175.328 -0.026 0.000 1.075 2 H CA -0.518 55.520 56.048 -0.016 0.000 1.397 2 H CB 0.939 30.708 29.762 0.010 0.000 1.446 2 H HN 0.619 nan 8.280 nan 0.000 0.493 3 I N 6.081 126.466 120.570 -0.308 0.000 2.439 3 I HA -0.003 4.167 4.170 -0.000 0.000 0.283 3 I C 0.172 176.033 176.117 -0.426 0.000 1.023 3 I CA -0.637 60.470 61.300 -0.321 0.000 1.100 3 I CB 1.350 39.264 38.000 -0.144 0.000 1.238 3 I HN 0.756 nan 8.210 nan 0.000 0.445 4 D N 3.525 123.630 120.400 -0.492 0.000 2.368 4 D HA 0.043 4.683 4.640 -0.000 0.000 0.218 4 D C 0.155 176.374 176.300 -0.135 0.000 1.112 4 D CA 0.061 53.900 54.000 -0.268 0.000 0.834 4 D CB 0.288 40.952 40.800 -0.227 0.000 0.953 4 D HN 0.332 nan 8.370 nan 0.000 0.505 5 N N 0.655 119.274 118.700 -0.136 0.000 2.571 5 N HA 0.102 4.842 4.740 -0.000 0.000 0.286 5 N C 0.104 175.547 175.510 -0.112 0.000 1.138 5 N CA -0.603 52.388 53.050 -0.100 0.000 0.859 5 N CB 1.074 39.515 38.487 -0.077 0.000 1.414 5 N HN -0.027 nan 8.380 nan 0.000 0.529 6 I N 2.851 123.335 120.570 -0.143 0.000 2.399 6 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 6 I C 1.604 177.630 176.117 -0.152 0.000 1.146 6 I CA 1.693 62.877 61.300 -0.194 0.000 1.412 6 I CB 0.324 38.086 38.000 -0.398 0.000 1.076 6 I HN 0.555 nan 8.210 nan 0.000 0.432 7 E N 0.127 120.261 120.200 -0.110 0.000 2.204 7 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 7 E C 1.350 177.924 176.600 -0.042 0.000 0.989 7 E CA 0.803 57.170 56.400 -0.054 0.000 0.824 7 E CB -0.592 29.096 29.700 -0.021 0.000 0.756 7 E HN 0.618 nan 8.360 nan 0.000 0.477 8 N N 0.977 119.646 118.700 -0.053 0.000 2.550 8 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 8 N C 0.371 175.860 175.510 -0.036 0.000 1.110 8 N CA 0.242 53.266 53.050 -0.043 0.000 0.912 8 N CB -0.014 38.441 38.487 -0.053 0.000 0.968 8 N HN 0.126 nan 8.380 nan 0.000 0.448 9 L N 0.281 121.481 121.223 -0.038 0.000 2.257 9 L HA 0.235 4.574 4.340 -0.000 0.000 0.290 9 L C 1.158 178.019 176.870 -0.015 0.000 1.044 9 L CA 0.143 54.975 54.840 -0.014 0.000 0.810 9 L CB 1.442 43.503 42.059 0.004 0.000 1.193 9 L HN -0.236 nan 8.230 nan 0.000 0.425 10 S N 2.079 117.768 115.700 -0.018 0.000 2.468 10 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 10 S C 0.344 174.912 174.600 -0.054 0.000 1.051 10 S CA 0.081 58.264 58.200 -0.028 0.000 0.943 10 S CB 0.069 63.254 63.200 -0.025 0.000 0.810 10 S HN 0.783 nan 8.310 nan 0.000 0.509 11 D N 1.229 121.577 120.400 -0.086 0.000 2.249 11 D HA 0.271 4.910 4.640 -0.000 0.000 0.246 11 D C 0.162 176.309 176.300 -0.256 0.000 1.114 11 D CA -0.120 53.774 54.000 -0.176 0.000 0.854 11 D CB 0.797 41.466 40.800 -0.219 0.000 1.132 11 D HN 0.217 nan 8.370 nan 0.000 0.461 12 R N 2.558 122.911 120.500 -0.245 0.000 2.577 12 R HA 0.160 4.500 4.340 -0.000 0.000 0.344 12 R C 0.127 176.256 176.300 -0.286 0.000 1.037 12 R CA -0.285 55.719 56.100 -0.161 0.000 1.102 12 R CB 1.048 31.347 30.300 -0.001 0.000 1.313 12 R HN 0.405 nan 8.270 nan 0.000 0.561 13 E N 0.809 120.644 120.200 -0.608 0.000 2.187 13 E HA 0.432 4.782 4.350 -0.000 0.000 0.268 13 E C -1.276 174.827 176.600 -0.827 0.000 0.896 13 E CA -0.520 55.602 56.400 -0.463 0.000 0.766 13 E CB 0.962 30.503 29.700 -0.264 0.000 1.142 13 E HN -0.142 nan 8.360 nan 0.000 0.408 14 F N 1.285 121.208 119.950 -0.045 0.000 2.650 14 F HA 0.265 4.792 4.527 -0.000 0.000 0.320 14 F C 1.016 176.767 175.800 -0.082 0.000 1.091 14 F CA -0.839 57.140 58.000 -0.036 0.000 0.962 14 F CB 1.297 40.291 39.000 -0.009 0.000 1.363 14 F HN 0.402 nan 8.300 nan 0.000 0.482 15 D N -0.199 120.261 120.400 0.100 0.000 2.097 15 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 15 D C -0.442 175.596 176.300 -0.437 0.000 0.984 15 D CA 2.026 55.917 54.000 -0.181 0.000 0.826 15 D CB 0.069 40.798 40.800 -0.118 0.000 0.973 15 D HN 0.300 nan 8.370 nan 0.000 0.460 16 Y N -0.870 119.509 120.300 0.131 0.000 2.512 16 Y HA 0.503 5.053 4.550 -0.000 0.000 0.348 16 Y C -0.145 175.779 175.900 0.040 0.000 0.990 16 Y CA -0.852 57.293 58.100 0.076 0.000 1.033 16 Y CB 2.181 40.677 38.460 0.059 0.000 1.259 16 Y HN -0.320 nan 8.280 nan 0.000 0.461 17 I N 3.032 123.694 120.570 0.153 0.000 2.498 17 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 17 I C -1.252 174.891 176.117 0.043 0.000 1.032 17 I CA -1.034 60.281 61.300 0.025 0.000 1.073 17 I CB 1.925 39.923 38.000 -0.003 0.000 1.251 17 I HN 0.218 nan 8.210 nan 0.000 0.426 18 V N 6.697 126.618 119.914 0.012 0.000 2.417 18 V HA 0.356 4.475 4.120 -0.000 0.000 0.291 18 V C -0.104 175.991 176.094 0.002 0.000 1.024 18 V CA -0.725 61.587 62.300 0.020 0.000 0.861 18 V CB 1.996 33.835 31.823 0.028 0.000 0.985 18 V HN 0.399 nan 8.190 nan 0.000 0.436 19 V N 3.949 123.867 119.914 0.007 0.000 2.333 19 V HA 0.868 4.988 4.120 -0.000 0.000 0.274 19 V C 0.592 176.701 176.094 0.025 0.000 1.028 19 V CA 0.221 62.527 62.300 0.010 0.000 0.851 19 V CB 0.600 32.425 31.823 0.003 0.000 1.000 19 V HN 1.269 nan 8.190 nan 0.000 0.456 20 G N 3.346 112.173 108.800 0.045 0.000 3.400 20 G HA2 0.179 4.139 3.960 -0.000 0.000 0.679 20 G HA3 0.179 4.139 3.960 -0.000 0.000 0.679 20 G C 0.086 175.023 174.900 0.062 0.000 1.239 20 G CA -0.526 44.615 45.100 0.068 0.000 1.049 20 G HN 1.171 nan 8.290 nan 0.000 0.539 21 G N 0.768 109.618 108.800 0.083 0.000 3.782 21 G HA2 0.627 4.587 3.960 -0.000 0.000 0.288 21 G HA3 0.627 4.587 3.960 -0.000 0.000 0.288 21 G C 0.950 175.887 174.900 0.061 0.000 1.300 21 G CA 0.944 46.089 45.100 0.075 0.000 1.261 21 G HN 1.202 nan 8.290 nan 0.000 0.591 22 G N 0.304 109.131 108.800 0.045 0.000 2.714 22 G HA2 0.343 4.303 3.960 -0.000 0.000 0.197 22 G HA3 0.343 4.303 3.960 -0.000 0.000 0.197 22 G C 1.316 176.222 174.900 0.010 0.000 1.449 22 G CA 0.518 45.639 45.100 0.034 0.000 1.065 22 G HN 0.216 nan 8.290 nan 0.000 0.575 23 S N 0.237 115.944 115.700 0.010 0.000 2.344 23 S HA -0.108 4.362 4.470 -0.000 0.000 0.217 23 S C 2.734 177.313 174.600 -0.036 0.000 1.033 23 S CA 1.645 59.850 58.200 0.009 0.000 1.017 23 S CB -0.683 62.532 63.200 0.025 0.000 0.941 23 S HN 0.759 nan 8.310 nan 0.000 0.430 24 A N 1.446 124.244 122.820 -0.036 0.000 1.898 24 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 24 A C 2.343 179.862 177.584 -0.109 0.000 1.181 24 A CA 1.663 53.658 52.037 -0.069 0.000 0.620 24 A CB -1.427 17.555 19.000 -0.031 0.000 0.819 24 A HN 0.523 nan 8.150 nan 0.000 0.442 25 G N -0.497 108.264 108.800 -0.064 0.000 2.402 25 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 25 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 25 G C 1.734 176.587 174.900 -0.078 0.000 1.162 25 G CA 1.371 46.440 45.100 -0.051 0.000 0.777 25 G HN 0.766 nan 8.290 nan 0.000 0.539 26 A N 1.221 123.989 122.820 -0.087 0.000 1.908 26 A HA 0.225 4.545 4.320 -0.000 0.000 0.218 26 A C 2.813 180.187 177.584 -0.349 0.000 1.181 26 A CA 2.333 54.304 52.037 -0.109 0.000 0.627 26 A CB -0.805 18.179 19.000 -0.027 0.000 0.818 26 A HN 0.751 nan 8.150 nan 0.000 0.445 27 A N -0.448 121.997 122.820 -0.625 0.000 1.845 27 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 27 A C 2.231 179.519 177.584 -0.493 0.000 1.195 27 A CA 1.897 53.288 52.037 -1.075 0.000 0.616 27 A CB -1.178 17.292 19.000 -0.884 0.000 0.832 27 A HN 0.460 nan 8.150 nan 0.000 0.443 28 V N 0.084 119.827 119.914 -0.285 0.000 2.282 28 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 28 V C 3.055 179.062 176.094 -0.144 0.000 1.057 28 V CA 2.289 64.484 62.300 -0.175 0.000 1.032 28 V CB -1.451 30.308 31.823 -0.106 0.000 0.645 28 V HN 0.644 nan 8.190 nan 0.000 0.447 29 A N -0.123 122.637 122.820 -0.100 0.000 1.877 29 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 29 A C 2.456 179.994 177.584 -0.077 0.000 1.186 29 A CA 2.199 54.232 52.037 -0.007 0.000 0.620 29 A CB -0.919 18.168 19.000 0.144 0.000 0.822 29 A HN 0.600 nan 8.150 nan 0.000 0.443 30 A N -0.401 122.313 122.820 -0.176 0.000 1.883 30 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 30 A C 2.235 179.757 177.584 -0.104 0.000 1.186 30 A CA 1.709 53.629 52.037 -0.194 0.000 0.624 30 A CB -0.476 18.494 19.000 -0.049 0.000 0.822 30 A HN 0.401 nan 8.150 nan 0.000 0.444 31 R N -0.486 119.956 120.500 -0.096 0.000 2.092 31 R HA 0.036 4.376 4.340 -0.000 0.000 0.231 31 R C 2.060 178.312 176.300 -0.080 0.000 1.119 31 R CA 1.041 57.103 56.100 -0.063 0.000 0.970 31 R CB -0.986 29.270 30.300 -0.074 0.000 0.864 31 R HN 0.601 nan 8.270 nan 0.000 0.440 32 L N 1.251 122.406 121.223 -0.113 0.000 2.201 32 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 32 L C 2.247 179.088 176.870 -0.049 0.000 1.105 32 L CA 1.429 56.182 54.840 -0.145 0.000 0.775 32 L CB -0.455 41.451 42.059 -0.255 0.000 0.913 32 L HN 0.221 nan 8.230 nan 0.000 0.440 33 S N -1.406 114.286 115.700 -0.014 0.000 2.561 33 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 33 S C 1.488 176.103 174.600 0.025 0.000 0.977 33 S CA 0.357 58.584 58.200 0.045 0.000 0.926 33 S CB -0.181 63.026 63.200 0.012 0.000 0.769 33 S HN 0.461 nan 8.310 nan 0.000 0.533 34 E N 1.144 121.341 120.200 -0.004 0.000 2.418 34 E HA -0.004 4.345 4.350 -0.000 0.000 0.197 34 E C -0.102 176.508 176.600 0.017 0.000 1.026 34 E CA 0.316 56.717 56.400 0.002 0.000 0.862 34 E CB 0.015 29.711 29.700 -0.007 0.000 0.799 34 E HN 0.473 nan 8.360 nan 0.000 0.518 35 D N 0.900 121.316 120.400 0.026 0.000 2.365 35 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 35 D C -1.500 174.839 176.300 0.065 0.000 1.190 35 D CA -2.408 51.618 54.000 0.043 0.000 0.867 35 D CB 1.170 41.999 40.800 0.050 0.000 1.050 35 D HN -0.078 nan 8.370 nan 0.000 0.491 36 P HA -0.104 nan 4.420 nan 0.000 0.222 36 P C 0.791 178.137 177.300 0.075 0.000 1.147 36 P CA 0.497 63.637 63.100 0.066 0.000 0.790 36 P CB 0.264 31.995 31.700 0.051 0.000 0.780 37 A N -0.441 122.423 122.820 0.073 0.000 2.235 37 A HA 0.148 4.468 4.320 -0.000 0.000 0.208 37 A C 1.085 178.725 177.584 0.094 0.000 1.172 37 A CA 0.420 52.500 52.037 0.072 0.000 0.786 37 A CB -0.389 18.647 19.000 0.061 0.000 0.804 37 A HN 0.149 nan 8.150 nan 0.000 0.479 38 V N 1.008 120.998 119.914 0.127 0.000 2.555 38 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 38 V C 0.028 176.244 176.094 0.203 0.000 1.038 38 V CA -0.240 62.169 62.300 0.181 0.000 0.887 38 V CB 2.059 34.033 31.823 0.252 0.000 0.991 38 V HN 0.449 nan 8.190 nan 0.000 0.434 39 S N 5.261 121.092 115.700 0.219 0.000 2.480 39 S HA 0.786 5.256 4.470 -0.000 0.000 0.286 39 S C -0.849 173.953 174.600 0.338 0.000 1.180 39 S CA -0.604 57.757 58.200 0.268 0.000 1.075 39 S CB 1.542 64.897 63.200 0.259 0.000 0.996 39 S HN 0.481 nan 8.310 nan 0.000 0.487 40 V N 2.157 122.246 119.914 0.291 0.000 2.540 40 V HA 0.798 4.918 4.120 -0.000 0.000 0.302 40 V C 0.136 176.157 176.094 -0.122 0.000 1.035 40 V CA -0.729 61.695 62.300 0.207 0.000 0.873 40 V CB 1.470 33.475 31.823 0.304 0.000 0.992 40 V HN 1.196 nan 8.190 nan 0.000 0.428 41 A N 4.704 127.267 122.820 -0.428 0.000 2.317 41 A HA 0.891 5.211 4.320 -0.000 0.000 0.327 41 A C -1.135 176.246 177.584 -0.339 0.000 1.178 41 A CA -0.496 51.089 52.037 -0.753 0.000 0.817 41 A CB 1.239 19.338 19.000 -1.502 0.000 1.189 41 A HN 0.844 nan 8.150 nan 0.000 0.489 42 L N 3.546 124.589 121.223 -0.300 0.000 2.325 42 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 42 L C -1.070 175.740 176.870 -0.099 0.000 1.004 42 L CA -0.298 54.494 54.840 -0.081 0.000 0.823 42 L CB 1.771 43.901 42.059 0.117 0.000 1.236 42 L HN 0.393 nan 8.230 nan 0.000 0.415 43 V N 4.114 123.997 119.914 -0.052 0.000 2.417 43 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 43 V C -0.555 175.559 176.094 0.034 0.000 1.024 43 V CA -0.537 61.748 62.300 -0.026 0.000 0.861 43 V CB 1.427 33.235 31.823 -0.024 0.000 0.985 43 V HN 0.810 nan 8.190 nan 0.000 0.436 44 E N 3.695 123.931 120.200 0.060 0.000 2.256 44 E HA 0.723 5.073 4.350 -0.000 0.000 0.268 44 E C 0.390 177.062 176.600 0.119 0.000 0.877 44 E CA -0.046 56.415 56.400 0.102 0.000 0.757 44 E CB 2.044 31.805 29.700 0.102 0.000 1.183 44 E HN 0.572 nan 8.360 nan 0.000 0.418 45 A N 3.611 126.538 122.820 0.178 0.000 1.930 45 A HA 0.221 4.540 4.320 -0.000 0.000 0.217 45 A C 1.259 178.878 177.584 0.060 0.000 1.175 45 A CA 1.317 53.459 52.037 0.175 0.000 0.627 45 A CB -0.835 18.390 19.000 0.376 0.000 0.815 45 A HN 0.588 nan 8.150 nan 0.000 0.443 46 G N -0.703 108.122 108.800 0.042 0.000 2.563 46 G HA2 0.471 4.430 3.960 -0.000 0.000 0.283 46 G HA3 0.471 4.430 3.960 -0.000 0.000 0.283 46 G C -2.566 172.371 174.900 0.061 0.000 1.309 46 G CA -1.075 44.022 45.100 -0.006 0.000 1.022 46 G HN 0.250 nan 8.290 nan 0.000 0.501 47 P HA 0.169 nan 4.420 nan 0.000 0.278 47 P C -0.618 176.747 177.300 0.107 0.000 1.266 47 P CA -0.592 62.579 63.100 0.118 0.000 0.807 47 P CB 0.947 32.742 31.700 0.158 0.000 1.094 48 D N 0.429 120.879 120.400 0.085 0.000 2.506 48 D HA -0.080 4.560 4.640 -0.000 0.000 0.234 48 D C 0.899 177.208 176.300 0.015 0.000 1.143 48 D CA 0.410 54.403 54.000 -0.013 0.000 0.871 48 D CB 0.355 41.074 40.800 -0.135 0.000 1.190 48 D HN 0.321 nan 8.370 nan 0.000 0.459 49 D N 2.494 122.905 120.400 0.019 0.000 2.354 49 D HA -0.064 4.576 4.640 -0.000 0.000 0.209 49 D C 0.290 176.588 176.300 -0.004 0.000 1.015 49 D CA -0.083 53.927 54.000 0.017 0.000 0.867 49 D CB -0.074 40.762 40.800 0.060 0.000 0.933 49 D HN 0.246 nan 8.370 nan 0.000 0.520 50 R N 0.377 120.816 120.500 -0.101 0.000 2.640 50 R HA 0.329 4.669 4.340 -0.000 0.000 0.270 50 R C 1.304 177.560 176.300 -0.074 0.000 1.024 50 R CA 0.911 56.904 56.100 -0.179 0.000 1.085 50 R CB 0.049 30.153 30.300 -0.328 0.000 0.963 50 R HN 0.240 nan 8.270 nan 0.000 0.426 51 G N 1.224 109.997 108.800 -0.046 0.000 2.168 51 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 51 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 51 G C -0.048 174.854 174.900 0.004 0.000 0.997 51 G CA 0.217 45.308 45.100 -0.014 0.000 0.708 51 G HN 0.422 nan 8.290 nan 0.000 0.520 52 V N 1.610 121.521 119.914 -0.007 0.000 2.275 52 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 52 V C -0.449 175.631 176.094 -0.024 0.000 1.028 52 V CA -0.724 61.567 62.300 -0.015 0.000 0.810 52 V CB 1.613 33.385 31.823 -0.085 0.000 1.043 52 V HN 0.114 nan 8.190 nan 0.000 0.453 53 P HA -0.078 nan 4.420 nan 0.000 0.221 53 P C 1.024 178.333 177.300 0.015 0.000 1.150 53 P CA 0.865 63.975 63.100 0.017 0.000 0.800 53 P CB 0.576 32.294 31.700 0.031 0.000 0.787 54 E N -0.338 119.864 120.200 0.003 0.000 2.204 54 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 54 E C 1.975 178.562 176.600 -0.022 0.000 0.990 54 E CA 0.774 57.181 56.400 0.012 0.000 0.821 54 E CB -1.031 28.692 29.700 0.037 0.000 0.750 54 E HN 0.134 nan 8.360 nan 0.000 0.477 55 V N 0.166 120.018 119.914 -0.104 0.000 2.492 55 V HA -0.060 4.060 4.120 -0.000 0.000 0.241 55 V C 2.041 178.132 176.094 -0.006 0.000 1.041 55 V CA 0.749 62.989 62.300 -0.101 0.000 1.057 55 V CB -0.322 31.353 31.823 -0.246 0.000 0.711 55 V HN 0.193 nan 8.190 nan 0.000 0.468 56 L N -0.407 120.816 121.223 -0.000 0.000 2.042 56 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 56 L C 1.417 178.318 176.870 0.051 0.000 1.076 56 L CA 1.275 56.134 54.840 0.032 0.000 0.749 56 L CB -0.377 41.704 42.059 0.037 0.000 0.893 56 L HN 0.350 nan 8.230 nan 0.000 0.432 57 Q N 0.960 120.799 119.800 0.064 0.000 2.324 57 Q HA 0.002 4.342 4.340 -0.000 0.000 0.257 57 Q C 0.921 177.005 176.000 0.141 0.000 1.080 57 Q CA -0.306 55.551 55.803 0.089 0.000 0.907 57 Q CB 1.341 30.134 28.738 0.091 0.000 1.274 57 Q HN 0.166 nan 8.270 nan 0.000 0.434 58 L N 4.707 126.015 121.223 0.142 0.000 2.012 58 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 58 L C 1.576 178.653 176.870 0.344 0.000 1.073 58 L CA 2.409 57.372 54.840 0.206 0.000 0.748 58 L CB -0.384 41.756 42.059 0.134 0.000 0.891 58 L HN 0.719 nan 8.230 nan 0.000 0.431 59 D N -1.246 119.321 120.400 0.279 0.000 2.403 59 D HA -0.194 4.446 4.640 -0.000 0.000 0.227 59 D C 1.522 178.098 176.300 0.460 0.000 0.995 59 D CA 0.796 55.031 54.000 0.392 0.000 0.928 59 D CB -0.441 40.505 40.800 0.243 0.000 0.887 59 D HN 0.440 nan 8.370 nan 0.000 0.529 60 R N -0.028 120.657 120.500 0.308 0.000 2.362 60 R HA 0.091 4.431 4.340 -0.000 0.000 0.227 60 R C 1.524 177.894 176.300 0.116 0.000 0.905 60 R CA -0.031 56.171 56.100 0.170 0.000 1.067 60 R CB -0.275 30.100 30.300 0.126 0.000 1.078 60 R HN 0.466 nan 8.270 nan 0.000 0.516 61 W N 0.703 122.093 121.300 0.150 0.000 2.350 61 W HA -0.136 4.524 4.660 -0.000 0.000 0.289 61 W C 1.060 177.603 176.519 0.040 0.000 1.215 61 W CA 0.576 57.973 57.345 0.087 0.000 1.236 61 W CB -0.652 28.865 29.460 0.095 0.000 1.130 61 W HN -0.039 nan 8.180 nan 0.000 0.541 62 M N 1.246 120.280 119.600 -0.943 0.000 2.374 62 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 62 M C 1.662 177.737 176.300 -0.374 0.000 1.067 62 M CA 1.672 56.410 55.300 -0.937 0.000 1.103 62 M CB -0.482 31.557 32.600 -0.935 0.000 1.402 62 M HN 0.031 nan 8.290 nan 0.000 0.444 63 E N 0.601 120.670 120.200 -0.218 0.000 2.418 63 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 63 E C 1.758 178.345 176.600 -0.023 0.000 1.026 63 E CA 0.631 56.971 56.400 -0.099 0.000 0.862 63 E CB -0.125 29.546 29.700 -0.047 0.000 0.799 63 E HN 0.548 nan 8.360 nan 0.000 0.518 64 L N 0.612 121.838 121.223 0.005 0.000 2.313 64 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 64 L C 0.749 177.652 176.870 0.055 0.000 1.119 64 L CA 0.017 54.912 54.840 0.092 0.000 0.809 64 L CB -0.228 41.925 42.059 0.157 0.000 0.933 64 L HN 0.099 nan 8.230 nan 0.000 0.449 65 L N 1.111 122.314 121.223 -0.034 0.000 2.559 65 L HA -0.060 4.280 4.340 -0.000 0.000 0.274 65 L C 0.802 177.676 176.870 0.006 0.000 1.205 65 L CA 0.432 55.250 54.840 -0.037 0.000 0.907 65 L CB -0.121 41.895 42.059 -0.072 0.000 1.153 65 L HN 0.253 nan 8.230 nan 0.000 0.490 66 E N -0.030 120.190 120.200 0.033 0.000 3.170 66 E HA -0.230 4.119 4.350 -0.000 0.000 0.284 66 E C 0.295 176.897 176.600 0.004 0.000 0.967 66 E CA 0.649 57.062 56.400 0.021 0.000 0.919 66 E CB -0.956 28.752 29.700 0.014 0.000 1.469 66 E HN 0.845 nan 8.360 nan 0.000 0.444 67 S N -1.453 114.260 115.700 0.022 0.000 2.632 67 S HA 0.452 4.922 4.470 -0.000 0.000 0.267 67 S C 1.534 176.090 174.600 -0.073 0.000 1.193 67 S CA -0.281 57.919 58.200 -0.001 0.000 1.003 67 S CB 1.258 64.508 63.200 0.083 0.000 1.073 67 S HN 0.213 nan 8.310 nan 0.000 0.553 68 G N -1.146 107.540 108.800 -0.191 0.000 2.625 68 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 68 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 68 G C 0.475 175.126 174.900 -0.416 0.000 1.132 68 G CA 0.253 45.155 45.100 -0.330 0.000 0.782 68 G HN 0.755 nan 8.290 nan 0.000 0.538 69 Y N -0.193 120.071 120.300 -0.060 0.000 2.470 69 Y HA 0.244 4.794 4.550 -0.000 0.000 0.284 69 Y C 0.321 176.191 175.900 -0.051 0.000 1.188 69 Y CA -0.549 57.515 58.100 -0.061 0.000 1.269 69 Y CB 0.626 39.093 38.460 0.011 0.000 1.094 69 Y HN 0.023 nan 8.280 nan 0.000 0.518 70 D N -1.315 119.098 120.400 0.021 0.000 2.492 70 D HA 0.075 4.715 4.640 -0.000 0.000 0.248 70 D C -0.038 176.237 176.300 -0.041 0.000 1.101 70 D CA -0.853 53.189 54.000 0.070 0.000 0.840 70 D CB 0.728 41.590 40.800 0.103 0.000 1.209 70 D HN 0.101 nan 8.370 nan 0.000 0.524 71 W N 1.972 123.213 121.300 -0.099 0.000 2.392 71 W HA -0.031 4.629 4.660 -0.000 0.000 0.279 71 W C 0.595 176.815 176.519 -0.499 0.000 1.225 71 W CA 0.544 57.697 57.345 -0.320 0.000 1.233 71 W CB -0.175 28.968 29.460 -0.528 0.000 1.122 71 W HN 0.503 nan 8.180 nan 0.000 0.561 72 D N -0.983 119.349 120.400 -0.113 0.000 3.908 72 D HA -0.237 4.403 4.640 -0.000 0.000 0.237 72 D C -1.519 174.713 176.300 -0.114 0.000 1.091 72 D CA 0.499 54.465 54.000 -0.057 0.000 1.147 72 D CB -1.404 39.392 40.800 -0.007 0.000 0.857 72 D HN 0.122 nan 8.370 nan 0.000 0.410 73 Y N 3.097 123.529 120.300 0.221 0.000 2.504 73 Y HA 0.396 4.946 4.550 -0.000 0.000 0.339 73 Y C -1.555 174.445 175.900 0.166 0.000 0.974 73 Y CA -2.186 56.017 58.100 0.171 0.000 1.232 73 Y CB 1.042 39.595 38.460 0.154 0.000 1.108 73 Y HN 0.120 nan 8.280 nan 0.000 0.509 74 P HA 0.177 nan 4.420 nan 0.000 0.274 74 P C -0.017 177.390 177.300 0.179 0.000 1.237 74 P CA -0.221 62.987 63.100 0.180 0.000 0.793 74 P CB 1.483 33.246 31.700 0.106 0.000 0.977 75 I N -1.887 118.777 120.570 0.156 0.000 2.918 75 I HA 0.453 4.623 4.170 -0.000 0.000 0.316 75 I C 0.338 176.498 176.117 0.072 0.000 1.001 75 I CA -1.089 60.295 61.300 0.140 0.000 1.142 75 I CB 0.633 38.754 38.000 0.201 0.000 1.356 75 I HN 0.094 nan 8.210 nan 0.000 0.524 76 E N 2.239 122.467 120.200 0.048 0.000 2.392 76 E HA 0.283 4.633 4.350 -0.000 0.000 0.259 76 E C -2.294 174.323 176.600 0.028 0.000 1.108 76 E CA -1.720 54.692 56.400 0.021 0.000 0.916 76 E CB -0.193 29.508 29.700 0.001 0.000 0.989 76 E HN 0.441 nan 8.360 nan 0.000 0.432 77 P HA -0.031 nan 4.420 nan 0.000 0.265 77 P C -0.441 176.888 177.300 0.048 0.000 1.193 77 P CA 0.420 63.529 63.100 0.015 0.000 0.765 77 P CB 0.462 32.162 31.700 0.001 0.000 0.823 78 Q N 2.273 122.124 119.800 0.086 0.000 2.271 78 Q HA 0.064 4.404 4.340 -0.000 0.000 0.258 78 Q C 1.228 177.299 176.000 0.118 0.000 0.936 78 Q CA -0.166 55.717 55.803 0.133 0.000 0.909 78 Q CB 1.319 30.200 28.738 0.238 0.000 1.253 78 Q HN 0.603 nan 8.270 nan 0.000 0.440 79 E N 1.184 121.445 120.200 0.102 0.000 2.274 79 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 79 E C 0.242 176.913 176.600 0.118 0.000 0.996 79 E CA 1.037 57.492 56.400 0.091 0.000 0.840 79 E CB 0.284 30.024 29.700 0.066 0.000 0.772 79 E HN 0.363 nan 8.360 nan 0.000 0.491 80 N N -0.294 118.511 118.700 0.174 0.000 2.471 80 N HA 0.228 4.968 4.740 -0.000 0.000 0.270 80 N C -0.857 174.844 175.510 0.318 0.000 1.490 80 N CA 0.281 53.451 53.050 0.199 0.000 0.850 80 N CB 1.458 40.062 38.487 0.195 0.000 1.411 80 N HN 0.241 nan 8.380 nan 0.000 0.488 81 G N -0.384 108.625 108.800 0.349 0.000 2.815 81 G HA2 0.219 4.179 3.960 -0.000 0.000 0.305 81 G HA3 0.219 4.179 3.960 -0.000 0.000 0.305 81 G C -1.606 173.518 174.900 0.373 0.000 1.277 81 G CA -0.607 44.831 45.100 0.562 0.000 0.795 81 G HN 0.173 nan 8.290 nan 0.000 0.528 82 N N 0.146 119.012 118.700 0.276 0.000 2.527 82 N HA 0.320 5.060 4.740 -0.000 0.000 0.236 82 N C 0.975 176.544 175.510 0.098 0.000 0.999 82 N CA -0.211 52.845 53.050 0.010 0.000 0.935 82 N CB 1.383 39.600 38.487 -0.450 0.000 1.132 82 N HN 0.156 nan 8.380 nan 0.000 0.511 83 S N 2.337 118.117 115.700 0.133 0.000 2.500 83 S HA -0.017 4.453 4.470 -0.000 0.000 0.239 83 S C 0.940 175.505 174.600 -0.059 0.000 0.989 83 S CA 0.588 58.808 58.200 0.034 0.000 0.951 83 S CB -0.312 62.862 63.200 -0.042 0.000 0.759 83 S HN 0.591 nan 8.310 nan 0.000 0.523 84 F N 0.973 120.931 119.950 0.013 0.000 2.789 84 F HA 0.303 4.829 4.527 -0.000 0.000 0.300 84 F C 1.109 176.899 175.800 -0.017 0.000 1.132 84 F CA -0.018 57.981 58.000 -0.003 0.000 1.404 84 F CB -0.222 38.766 39.000 -0.020 0.000 1.114 84 F HN 0.158 nan 8.300 nan 0.000 0.584 85 M N 1.442 121.113 119.600 0.118 0.000 2.245 85 M HA 0.135 4.615 4.480 -0.000 0.000 0.344 85 M C -0.142 176.207 176.300 0.082 0.000 1.170 85 M CA 0.649 55.971 55.300 0.036 0.000 1.135 85 M CB 0.465 33.038 32.600 -0.045 0.000 1.574 85 M HN -0.009 nan 8.290 nan 0.000 0.452 86 R N 2.964 123.512 120.500 0.081 0.000 2.494 86 R HA 0.323 4.663 4.340 -0.000 0.000 0.305 86 R C -0.860 175.537 176.300 0.162 0.000 0.959 86 R CA -0.861 55.328 56.100 0.148 0.000 0.864 86 R CB 1.152 31.549 30.300 0.163 0.000 1.159 86 R HN 0.631 nan 8.270 nan 0.000 0.446 87 H N 2.041 121.298 119.070 0.311 0.000 3.109 87 H HA 0.127 4.683 4.556 -0.000 0.000 0.266 87 H C 0.090 175.673 175.328 0.425 0.000 1.334 87 H CA -0.181 56.102 56.048 0.392 0.000 1.456 87 H CB 0.572 30.538 29.762 0.339 0.000 1.587 87 H HN 0.658 nan 8.280 nan 0.000 0.500 88 A N 5.291 128.415 122.820 0.506 0.000 2.546 88 A HA 0.153 4.473 4.320 -0.000 0.000 0.243 88 A C 0.486 178.396 177.584 0.544 0.000 1.063 88 A CA 0.183 52.458 52.037 0.397 0.000 0.757 88 A CB 0.200 19.276 19.000 0.127 0.000 0.991 88 A HN 0.566 nan 8.150 nan 0.000 0.503 89 R N 1.178 121.969 120.500 0.486 0.000 2.574 89 R HA 0.558 4.898 4.340 -0.000 0.000 0.288 89 R C -0.338 176.180 176.300 0.363 0.000 1.004 89 R CA -0.280 56.071 56.100 0.418 0.000 0.895 89 R CB 1.891 32.489 30.300 0.497 0.000 1.191 89 R HN 0.886 nan 8.270 nan 0.000 0.444 90 A N 2.538 125.353 122.820 -0.007 0.000 2.388 90 A HA 0.266 4.586 4.320 -0.000 0.000 0.257 90 A C 0.015 177.717 177.584 0.196 0.000 1.095 90 A CA -0.154 51.915 52.037 0.053 0.000 0.791 90 A CB 0.381 19.278 19.000 -0.173 0.000 1.029 90 A HN 0.582 nan 8.150 nan 0.000 0.489 91 K N 2.239 122.636 120.400 -0.004 0.000 2.562 91 K HA 0.535 4.855 4.320 -0.000 0.000 0.206 91 K C -1.433 175.155 176.600 -0.020 0.000 1.033 91 K CA -0.188 55.955 56.287 -0.240 0.000 1.029 91 K CB 0.672 32.525 32.500 -1.078 0.000 1.393 91 K HN 0.687 nan 8.250 nan 0.000 0.539 92 V N 3.319 123.280 119.914 0.079 0.000 3.174 92 V HA 0.201 4.321 4.120 -0.000 0.000 0.280 92 V C -1.226 174.921 176.094 0.088 0.000 1.554 92 V CA -1.057 61.305 62.300 0.103 0.000 1.016 92 V CB 1.961 33.844 31.823 0.100 0.000 1.197 92 V HN 0.607 nan 8.190 nan 0.000 0.453 93 M N 3.552 123.203 119.600 0.085 0.000 2.226 93 M HA 0.192 4.672 4.480 -0.000 0.000 0.377 93 M C 1.547 177.888 176.300 0.068 0.000 1.309 93 M CA 2.088 57.439 55.300 0.085 0.000 0.874 93 M CB -0.815 31.840 32.600 0.091 0.000 1.902 93 M HN 1.694 nan 8.290 nan 0.000 0.485 94 G N 2.100 110.938 108.800 0.063 0.000 2.241 94 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.244 94 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.244 94 G C 0.892 175.814 174.900 0.036 0.000 0.998 94 G CA 0.499 45.623 45.100 0.041 0.000 0.621 94 G HN 1.565 nan 8.290 nan 0.000 0.519 95 G N -0.782 108.048 108.800 0.050 0.000 2.594 95 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.297 95 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.297 95 G C 1.395 176.267 174.900 -0.046 0.000 1.273 95 G CA 1.552 46.675 45.100 0.039 0.000 0.974 95 G HN 1.419 nan 8.290 nan 0.000 0.552 96 C N 1.250 120.485 119.300 -0.108 0.000 2.432 96 C HA 0.143 4.603 4.460 -0.000 0.000 0.282 96 C C 3.319 178.287 174.990 -0.036 0.000 1.388 96 C CA 2.042 60.909 59.018 -0.252 0.000 1.777 96 C CB -1.519 26.123 27.740 -0.165 0.000 1.882 96 C HN 1.151 nan 8.230 nan 0.000 0.520 97 S N 0.195 115.896 115.700 0.001 0.000 2.507 97 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 97 S C 1.516 176.134 174.600 0.030 0.000 0.988 97 S CA 1.584 59.798 58.200 0.024 0.000 0.944 97 S CB -0.374 62.844 63.200 0.031 0.000 0.762 97 S HN 0.560 nan 8.310 nan 0.000 0.526 98 S N 0.704 116.423 115.700 0.031 0.000 2.548 98 S HA 0.112 4.582 4.470 -0.000 0.000 0.215 98 S C 1.225 175.905 174.600 0.133 0.000 0.976 98 S CA 0.374 58.605 58.200 0.051 0.000 0.908 98 S CB -0.266 62.949 63.200 0.024 0.000 0.781 98 S HN 1.019 nan 8.310 nan 0.000 0.519 99 H N 0.217 119.319 119.070 0.054 0.000 3.058 99 H HA 0.325 4.881 4.556 -0.000 0.000 0.266 99 H C 0.372 175.747 175.328 0.079 0.000 1.135 99 H CA -0.510 55.601 56.048 0.106 0.000 1.174 99 H CB 0.180 30.014 29.762 0.120 0.000 1.581 99 H HN 0.306 nan 8.280 nan 0.000 0.553 100 N N 0.947 119.750 118.700 0.171 0.000 2.476 100 N HA -0.002 4.738 4.740 -0.000 0.000 0.287 100 N C 0.766 175.879 175.510 -0.661 0.000 1.262 100 N CA 0.020 52.969 53.050 -0.167 0.000 0.980 100 N CB 0.803 39.274 38.487 -0.027 0.000 1.163 100 N HN 0.179 nan 8.380 nan 0.000 0.592 101 S N -2.813 112.303 115.700 -0.974 0.000 2.605 101 S HA 0.109 4.578 4.470 -0.000 0.000 0.217 101 S C 0.224 174.591 174.600 -0.387 0.000 0.958 101 S CA -0.327 57.241 58.200 -1.054 0.000 0.919 101 S CB -1.346 61.246 63.200 -1.014 0.000 0.780 101 S HN 0.660 nan 8.310 nan 0.000 0.507 102 C N 0.891 120.039 119.300 -0.254 0.000 4.297 102 C HA -0.168 4.292 4.460 -0.000 0.000 0.290 102 C C 0.500 175.415 174.990 -0.124 0.000 1.444 102 C CA -0.260 58.683 59.018 -0.124 0.000 1.982 102 C CB -2.831 24.871 27.740 -0.065 0.000 1.276 102 C HN 0.735 nan 8.230 nan 0.000 0.797 103 I N 1.250 121.706 120.570 -0.190 0.000 2.452 103 I HA 0.381 4.550 4.170 -0.000 0.000 0.287 103 I C 0.723 176.715 176.117 -0.210 0.000 1.079 103 I CA 0.683 61.795 61.300 -0.314 0.000 1.387 103 I CB 0.599 38.279 38.000 -0.534 0.000 1.404 103 I HN 0.457 nan 8.210 nan 0.000 0.522 104 A N 7.795 130.454 122.820 -0.268 0.000 2.318 104 A HA 0.809 5.128 4.320 -0.000 0.000 0.317 104 A C -1.030 176.357 177.584 -0.329 0.000 1.159 104 A CA -0.278 51.662 52.037 -0.162 0.000 0.799 104 A CB 0.470 19.421 19.000 -0.082 0.000 1.194 104 A HN 0.584 nan 8.150 nan 0.000 0.479 105 F N 0.893 120.863 119.950 0.035 0.000 2.581 105 F HA 0.514 5.041 4.527 -0.000 0.000 0.311 105 F C -0.764 175.075 175.800 0.066 0.000 1.113 105 F CA -0.402 57.636 58.000 0.064 0.000 0.935 105 F CB 1.625 40.631 39.000 0.011 0.000 1.232 105 F HN 0.654 nan 8.300 nan 0.000 0.445 106 W N 2.632 123.835 121.300 -0.161 0.000 2.190 106 W HA 0.559 5.219 4.660 -0.000 0.000 0.330 106 W C 0.223 176.636 176.519 -0.177 0.000 1.299 106 W CA -0.823 56.154 57.345 -0.613 0.000 1.215 106 W CB 0.127 29.098 29.460 -0.815 0.000 1.147 106 W HN 0.550 nan 8.180 nan 0.000 0.563 107 A N 4.992 127.894 122.820 0.137 0.000 2.386 107 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 107 A C -2.175 175.592 177.584 0.305 0.000 1.082 107 A CA -1.277 50.906 52.037 0.244 0.000 0.789 107 A CB -0.545 18.618 19.000 0.273 0.000 1.025 107 A HN 0.409 nan 8.150 nan 0.000 0.490 108 P HA 0.022 nan 4.420 nan 0.000 0.265 108 P C 0.656 178.109 177.300 0.256 0.000 1.193 108 P CA -0.007 63.219 63.100 0.210 0.000 0.765 108 P CB 0.467 32.227 31.700 0.100 0.000 0.823 109 R N 2.462 123.110 120.500 0.247 0.000 2.152 109 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 109 R C 0.875 177.166 176.300 -0.014 0.000 1.117 109 R CA 1.554 57.665 56.100 0.018 0.000 0.981 109 R CB -0.688 29.456 30.300 -0.260 0.000 0.870 109 R HN 0.332 nan 8.270 nan 0.000 0.451 110 E N 1.233 121.446 120.200 0.022 0.000 2.150 110 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 110 E C 1.440 178.068 176.600 0.047 0.000 0.985 110 E CA 1.301 57.709 56.400 0.013 0.000 0.814 110 E CB -0.098 29.609 29.700 0.011 0.000 0.752 110 E HN 0.373 nan 8.360 nan 0.000 0.466 111 D N 0.344 120.797 120.400 0.088 0.000 2.084 111 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 111 D C 2.024 178.280 176.300 -0.074 0.000 0.985 111 D CA 0.875 54.958 54.000 0.139 0.000 0.826 111 D CB -0.165 40.768 40.800 0.221 0.000 0.978 111 D HN 0.177 nan 8.370 nan 0.000 0.456 112 L N 0.978 122.072 121.223 -0.215 0.000 2.046 112 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 112 L C 1.993 178.737 176.870 -0.211 0.000 1.077 112 L CA 1.015 55.564 54.840 -0.485 0.000 0.747 112 L CB -0.425 41.489 42.059 -0.243 0.000 0.896 112 L HN -0.096 nan 8.230 nan 0.000 0.432 113 D N 0.168 120.521 120.400 -0.077 0.000 2.218 113 D HA -0.168 4.472 4.640 -0.000 0.000 0.204 113 D C 2.043 178.390 176.300 0.079 0.000 0.976 113 D CA 1.016 55.009 54.000 -0.012 0.000 0.853 113 D CB -0.023 40.751 40.800 -0.044 0.000 0.939 113 D HN 0.427 nan 8.370 nan 0.000 0.481 114 E N -0.527 119.757 120.200 0.139 0.000 2.274 114 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 114 E C 1.730 178.614 176.600 0.473 0.000 0.996 114 E CA 0.156 56.691 56.400 0.224 0.000 0.840 114 E CB -0.003 29.862 29.700 0.275 0.000 0.772 114 E HN 0.351 nan 8.360 nan 0.000 0.491 115 W N 1.442 122.899 121.300 0.263 0.000 2.338 115 W HA -0.162 4.498 4.660 -0.000 0.000 0.304 115 W C 2.184 178.833 176.519 0.217 0.000 1.212 115 W CA 0.988 58.507 57.345 0.291 0.000 1.264 115 W CB -0.762 28.826 29.460 0.214 0.000 1.142 115 W HN 0.199 nan 8.180 nan 0.000 0.512 116 E N -0.388 120.051 120.200 0.398 0.000 2.060 116 E HA -0.027 4.323 4.350 -0.000 0.000 0.189 116 E C 2.302 178.980 176.600 0.129 0.000 0.974 116 E CA 1.110 57.658 56.400 0.246 0.000 0.808 116 E CB -0.247 29.573 29.700 0.200 0.000 0.768 116 E HN -0.015 nan 8.360 nan 0.000 0.453 117 A N 1.181 124.054 122.820 0.089 0.000 1.902 117 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 117 A C 2.111 179.657 177.584 -0.063 0.000 1.181 117 A CA 1.847 53.889 52.037 0.008 0.000 0.623 117 A CB -0.292 18.704 19.000 -0.008 0.000 0.818 117 A HN 0.192 nan 8.150 nan 0.000 0.443 118 K N -2.784 117.529 120.400 -0.145 0.000 2.287 118 K HA 0.144 4.464 4.320 -0.000 0.000 0.199 118 K C 0.523 176.823 176.600 -0.500 0.000 1.061 118 K CA 0.336 56.366 56.287 -0.429 0.000 0.976 118 K CB 0.191 32.231 32.500 -0.766 0.000 0.898 118 K HN 0.513 nan 8.250 nan 0.000 0.492 119 Y N -0.740 119.582 120.300 0.036 0.000 2.584 119 Y HA 0.283 4.833 4.550 -0.000 0.000 0.254 119 Y C 0.971 176.854 175.900 -0.027 0.000 1.177 119 Y CA -0.033 58.052 58.100 -0.026 0.000 1.216 119 Y CB 1.643 40.055 38.460 -0.081 0.000 1.172 119 Y HN 0.286 nan 8.280 nan 0.000 0.529 120 G N 0.682 109.539 108.800 0.095 0.000 2.199 120 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 120 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 120 G C 0.454 175.415 174.900 0.101 0.000 0.982 120 G CA 0.013 45.155 45.100 0.070 0.000 0.632 120 G HN 0.552 nan 8.290 nan 0.000 0.529 121 A N 1.609 124.522 122.820 0.155 0.000 2.922 121 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 121 A C 0.963 178.756 177.584 0.349 0.000 1.588 121 A CA 0.918 53.074 52.037 0.198 0.000 1.288 121 A CB -0.393 18.668 19.000 0.101 0.000 1.130 121 A HN 0.866 nan 8.150 nan 0.000 0.557 122 T N 1.059 115.761 114.554 0.246 0.000 2.819 122 T HA 0.308 4.658 4.350 -0.000 0.000 0.282 122 T C 1.616 176.459 174.700 0.239 0.000 1.013 122 T CA 1.596 63.815 62.100 0.198 0.000 1.159 122 T CB 0.282 69.228 68.868 0.131 0.000 1.007 122 T HN 1.816 nan 8.240 nan 0.000 0.514 123 G N 2.425 111.305 108.800 0.134 0.000 2.205 123 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.261 123 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.261 123 G C -0.123 174.717 174.900 -0.099 0.000 0.980 123 G CA -0.338 44.760 45.100 -0.004 0.000 0.632 123 G HN 0.716 nan 8.290 nan 0.000 0.533 124 W N 2.417 123.778 121.300 0.101 0.000 2.288 124 W HA 0.648 5.308 4.660 -0.000 0.000 0.325 124 W C 0.404 176.965 176.519 0.070 0.000 1.019 124 W CA -0.109 57.316 57.345 0.132 0.000 1.403 124 W CB 0.591 30.245 29.460 0.324 0.000 1.226 124 W HN 0.575 nan 8.180 nan 0.000 0.391 125 N N 0.351 119.098 118.700 0.080 0.000 3.277 125 N HA 0.564 5.304 4.740 -0.000 0.000 0.278 125 N C 0.369 175.838 175.510 -0.069 0.000 1.544 125 N CA -0.369 52.680 53.050 -0.002 0.000 0.869 125 N CB 0.280 38.762 38.487 -0.009 0.000 1.584 125 N HN 0.109 nan 8.380 nan 0.000 0.564 126 A N -0.161 122.580 122.820 -0.131 0.000 1.933 126 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 126 A C 1.615 179.112 177.584 -0.145 0.000 1.175 126 A CA 1.537 53.445 52.037 -0.216 0.000 0.628 126 A CB -0.988 17.643 19.000 -0.616 0.000 0.814 126 A HN 0.761 nan 8.150 nan 0.000 0.444 127 E N -0.416 119.689 120.200 -0.159 0.000 2.130 127 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 127 E C 2.242 178.822 176.600 -0.034 0.000 0.998 127 E CA 1.139 57.483 56.400 -0.092 0.000 0.806 127 E CB -0.230 29.416 29.700 -0.090 0.000 0.738 127 E HN 0.649 nan 8.360 nan 0.000 0.459 128 A N 0.971 123.742 122.820 -0.081 0.000 1.935 128 A HA 0.103 4.423 4.320 -0.000 0.000 0.214 128 A C 2.291 179.792 177.584 -0.138 0.000 1.178 128 A CA 1.183 53.131 52.037 -0.148 0.000 0.640 128 A CB -0.257 18.574 19.000 -0.281 0.000 0.825 128 A HN 0.270 nan 8.150 nan 0.000 0.447 129 A N -1.268 121.508 122.820 -0.073 0.000 1.897 129 A HA -0.119 4.200 4.320 -0.000 0.000 0.215 129 A C 2.134 179.706 177.584 -0.021 0.000 1.181 129 A CA 1.027 52.978 52.037 -0.144 0.000 0.620 129 A CB -0.911 18.049 19.000 -0.066 0.000 0.821 129 A HN 0.759 nan 8.150 nan 0.000 0.443 130 W N 0.542 121.808 121.300 -0.056 0.000 2.335 130 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 130 W C -0.828 175.720 176.519 0.049 0.000 1.213 130 W CA 1.812 59.233 57.345 0.127 0.000 1.274 130 W CB -1.003 28.592 29.460 0.224 0.000 1.148 130 W HN 0.324 nan 8.180 nan 0.000 0.498 131 P HA -0.108 nan 4.420 nan 0.000 0.226 131 P C 1.569 178.860 177.300 -0.015 0.000 1.153 131 P CA 1.364 64.524 63.100 0.099 0.000 0.777 131 P CB -0.345 31.397 31.700 0.070 0.000 0.794 132 L N -2.370 118.782 121.223 -0.118 0.000 2.068 132 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 132 L C 2.582 179.309 176.870 -0.240 0.000 1.076 132 L CA 1.269 55.990 54.840 -0.198 0.000 0.753 132 L CB -1.067 40.824 42.059 -0.281 0.000 0.910 132 L HN -0.077 nan 8.230 nan 0.000 0.439 133 Y N 0.518 120.549 120.300 -0.448 0.000 2.165 133 Y HA -0.328 4.222 4.550 -0.000 0.000 0.286 133 Y C 2.818 178.440 175.900 -0.465 0.000 1.155 133 Y CA 1.282 58.917 58.100 -0.775 0.000 1.164 133 Y CB -0.141 37.189 38.460 -1.883 0.000 0.978 133 Y HN 0.123 nan 8.280 nan 0.000 0.513 134 K N 0.753 121.094 120.400 -0.097 0.000 2.032 134 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 134 K C 2.276 178.901 176.600 0.043 0.000 1.048 134 K CA 1.570 57.913 56.287 0.095 0.000 0.927 134 K CB -0.180 32.410 32.500 0.149 0.000 0.712 134 K HN 0.173 nan 8.250 nan 0.000 0.441 135 R N 0.581 121.083 120.500 0.002 0.000 2.115 135 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 135 R C 2.347 178.644 176.300 -0.006 0.000 1.111 135 R CA 1.418 57.517 56.100 -0.002 0.000 0.976 135 R CB -0.216 30.078 30.300 -0.009 0.000 0.870 135 R HN 0.283 nan 8.270 nan 0.000 0.445 136 L N -0.269 120.952 121.223 -0.003 0.000 2.240 136 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 136 L C 0.346 177.195 176.870 -0.035 0.000 1.106 136 L CA 0.875 55.722 54.840 0.011 0.000 0.793 136 L CB -0.407 41.698 42.059 0.078 0.000 0.927 136 L HN 0.053 nan 8.230 nan 0.000 0.446 137 E N -0.593 119.600 120.200 -0.012 0.000 2.212 137 E HA 0.485 4.835 4.350 -0.000 0.000 0.270 137 E C -0.924 175.623 176.600 -0.089 0.000 0.956 137 E CA -0.829 55.559 56.400 -0.021 0.000 0.825 137 E CB 1.161 30.904 29.700 0.071 0.000 1.167 137 E HN 0.005 nan 8.360 nan 0.000 0.400 138 T N 2.531 116.968 114.554 -0.196 0.000 2.821 138 T HA 0.238 4.588 4.350 -0.000 0.000 0.307 138 T C -0.722 173.829 174.700 -0.248 0.000 1.034 138 T CA -0.734 61.188 62.100 -0.297 0.000 0.953 138 T CB 0.212 68.701 68.868 -0.632 0.000 0.968 138 T HN 0.383 nan 8.240 nan 0.000 0.462 139 N N 2.330 120.907 118.700 -0.204 0.000 2.421 139 N HA 0.112 4.852 4.740 -0.000 0.000 0.285 139 N C 1.109 176.457 175.510 -0.271 0.000 1.027 139 N CA -0.316 52.573 53.050 -0.269 0.000 0.918 139 N CB 1.687 39.889 38.487 -0.475 0.000 1.152 139 N HN 0.703 nan 8.380 nan 0.000 0.485 140 E N 2.094 122.162 120.200 -0.219 0.000 2.171 140 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 140 E C -0.162 176.323 176.600 -0.192 0.000 0.997 140 E CA 1.455 57.754 56.400 -0.168 0.000 0.810 140 E CB 0.286 29.916 29.700 -0.117 0.000 0.738 140 E HN 0.519 nan 8.360 nan 0.000 0.467 141 D N 0.141 120.357 120.400 -0.307 0.000 2.349 141 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 141 D C -0.078 176.108 176.300 -0.190 0.000 1.029 141 D CA 0.490 54.337 54.000 -0.255 0.000 0.879 141 D CB 0.025 40.666 40.800 -0.265 0.000 0.906 141 D HN 0.226 nan 8.370 nan 0.000 0.528 142 A N 0.391 123.068 122.820 -0.238 0.000 2.540 142 A HA 0.496 4.816 4.320 -0.000 0.000 0.239 142 A C 0.950 178.507 177.584 -0.045 0.000 1.061 142 A CA 0.879 52.861 52.037 -0.091 0.000 0.758 142 A CB 0.215 19.160 19.000 -0.092 0.000 0.991 142 A HN 0.252 nan 8.150 nan 0.000 0.502 143 G N 1.289 110.081 108.800 -0.013 0.000 2.328 143 G HA2 0.447 4.407 3.960 -0.000 0.000 0.295 143 G HA3 0.447 4.407 3.960 -0.000 0.000 0.295 143 G C -2.677 172.227 174.900 0.007 0.000 1.413 143 G CA -0.064 45.031 45.100 -0.007 0.000 0.817 143 G HN 0.274 nan 8.290 nan 0.000 0.546 144 P HA 0.040 nan 4.420 nan 0.000 0.220 144 P C 1.054 178.369 177.300 0.024 0.000 1.148 144 P CA 1.601 64.711 63.100 0.016 0.000 0.803 144 P CB 0.153 31.859 31.700 0.011 0.000 0.782 145 D N -0.941 119.473 120.400 0.023 0.000 2.340 145 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 145 D C 0.465 176.795 176.300 0.050 0.000 1.039 145 D CA -0.115 53.902 54.000 0.029 0.000 0.866 145 D CB -0.375 40.437 40.800 0.019 0.000 0.913 145 D HN 0.054 nan 8.370 nan 0.000 0.523 146 A N 1.258 124.110 122.820 0.055 0.000 3.410 146 A HA 0.382 4.702 4.320 -0.000 0.000 0.276 146 A C -2.035 175.558 177.584 0.015 0.000 0.995 146 A CA -0.825 51.259 52.037 0.078 0.000 0.934 146 A CB 0.910 19.963 19.000 0.088 0.000 1.191 146 A HN -0.040 nan 8.150 nan 0.000 0.511 147 P HA -0.153 nan 4.420 nan 0.000 0.234 147 P C 1.066 178.426 177.300 0.100 0.000 1.167 147 P CA 1.035 64.179 63.100 0.073 0.000 0.763 147 P CB -0.289 31.463 31.700 0.088 0.000 0.835 148 H N -2.326 116.737 119.070 -0.012 0.000 2.457 148 H HA -0.030 4.526 4.556 -0.000 0.000 0.294 148 H C 0.501 175.873 175.328 0.074 0.000 1.064 148 H CA 0.681 56.743 56.048 0.025 0.000 1.330 148 H CB -1.459 28.223 29.762 -0.133 0.000 1.395 148 H HN 0.176 nan 8.280 nan 0.000 0.541 149 H N 1.138 119.912 119.070 -0.493 0.000 2.629 149 H HA 0.329 4.885 4.556 -0.000 0.000 0.357 149 H C 0.621 175.916 175.328 -0.056 0.000 1.121 149 H CA 0.346 56.208 56.048 -0.310 0.000 1.406 149 H CB 1.010 30.505 29.762 -0.446 0.000 1.456 149 H HN 0.449 nan 8.280 nan 0.000 0.579 150 G N 0.702 109.614 108.800 0.186 0.000 2.415 150 G HA2 0.160 4.120 3.960 -0.000 0.000 0.269 150 G HA3 0.160 4.120 3.960 -0.000 0.000 0.269 150 G C 0.176 175.069 174.900 -0.011 0.000 1.209 150 G CA -0.539 44.605 45.100 0.073 0.000 0.835 150 G HN 0.714 nan 8.290 nan 0.000 0.534 151 D N -1.041 119.337 120.400 -0.037 0.000 2.479 151 D HA 0.122 4.762 4.640 -0.000 0.000 0.218 151 D C 1.095 177.336 176.300 -0.099 0.000 1.177 151 D CA -0.118 53.833 54.000 -0.082 0.000 0.830 151 D CB 0.784 41.548 40.800 -0.061 0.000 1.014 151 D HN 0.194 nan 8.370 nan 0.000 0.503 152 S N -0.829 114.821 115.700 -0.083 0.000 2.787 152 S HA 0.405 4.875 4.470 -0.000 0.000 0.255 152 S C 0.908 175.457 174.600 -0.086 0.000 1.051 152 S CA -0.266 57.888 58.200 -0.076 0.000 1.124 152 S CB 1.276 64.451 63.200 -0.041 0.000 1.104 152 S HN 0.438 nan 8.310 nan 0.000 0.623 153 G N 2.569 111.307 108.800 -0.103 0.000 2.562 153 G HA2 0.400 4.360 3.960 -0.000 0.000 0.275 153 G HA3 0.400 4.360 3.960 -0.000 0.000 0.275 153 G C -1.745 173.078 174.900 -0.128 0.000 1.196 153 G CA -1.170 43.870 45.100 -0.100 0.000 0.908 153 G HN 0.014 nan 8.290 nan 0.000 0.524 154 P HA -0.013 nan 4.420 nan 0.000 0.222 154 P C 0.485 177.726 177.300 -0.098 0.000 1.153 154 P CA 0.389 63.361 63.100 -0.213 0.000 0.798 154 P CB 0.238 31.592 31.700 -0.577 0.000 0.796 155 V N 2.644 122.482 119.914 -0.126 0.000 2.368 155 V HA 0.116 4.236 4.120 -0.000 0.000 0.266 155 V C 0.643 176.776 176.094 0.065 0.000 1.045 155 V CA -0.584 61.698 62.300 -0.029 0.000 0.899 155 V CB -0.437 31.363 31.823 -0.039 0.000 1.006 155 V HN 0.183 nan 8.190 nan 0.000 0.470 156 H N 5.234 124.251 119.070 -0.089 0.000 2.690 156 H HA 0.347 4.903 4.556 -0.000 0.000 0.314 156 H C -0.823 174.473 175.328 -0.053 0.000 1.069 156 H CA -0.578 55.428 56.048 -0.069 0.000 1.436 156 H CB 1.467 31.189 29.762 -0.066 0.000 1.462 156 H HN 0.326 nan 8.280 nan 0.000 0.511 157 L N 5.030 126.250 121.223 -0.005 0.000 2.341 157 L HA 0.374 4.714 4.340 -0.000 0.000 0.278 157 L C 0.038 176.884 176.870 -0.040 0.000 1.005 157 L CA -0.334 54.495 54.840 -0.018 0.000 0.818 157 L CB 1.588 43.628 42.059 -0.032 0.000 1.259 157 L HN 0.621 nan 8.230 nan 0.000 0.418 158 M N 0.601 120.190 119.600 -0.019 0.000 2.619 158 M HA 0.658 5.138 4.480 -0.000 0.000 0.297 158 M C -1.073 175.222 176.300 -0.009 0.000 1.229 158 M CA -0.848 54.438 55.300 -0.024 0.000 0.860 158 M CB 1.928 34.524 32.600 -0.007 0.000 1.741 158 M HN 0.234 nan 8.290 nan 0.000 0.462 159 N N 1.247 119.936 118.700 -0.018 0.000 2.488 159 N HA 0.329 5.069 4.740 -0.000 0.000 0.274 159 N C -0.891 174.620 175.510 0.002 0.000 1.111 159 N CA -0.378 52.676 53.050 0.007 0.000 0.974 159 N CB 1.760 40.234 38.487 -0.022 0.000 1.089 159 N HN 0.541 nan 8.380 nan 0.000 0.465 160 V N 4.690 124.637 119.914 0.054 0.000 2.450 160 V HA 0.071 4.191 4.120 -0.000 0.000 0.281 160 V C -1.779 174.200 176.094 -0.191 0.000 1.019 160 V CA -1.014 61.288 62.300 0.004 0.000 1.062 160 V CB 0.067 31.984 31.823 0.156 0.000 0.979 160 V HN 0.529 nan 8.190 nan 0.000 0.477 161 P HA 0.111 nan 4.420 nan 0.000 0.265 161 P C -2.349 174.568 177.300 -0.638 0.000 1.193 161 P CA -1.069 61.840 63.100 -0.318 0.000 0.765 161 P CB -0.048 31.525 31.700 -0.212 0.000 0.823 162 P HA 0.145 nan 4.420 nan 0.000 0.237 162 P C 0.286 177.255 177.300 -0.551 0.000 1.788 162 P CA 0.114 62.502 63.100 -1.187 0.000 1.061 162 P CB 0.235 31.531 31.700 -0.674 0.000 1.967 163 K N 0.674 120.812 120.400 -0.438 0.000 2.276 163 K HA 0.030 4.350 4.320 -0.000 0.000 0.198 163 K C 0.642 177.186 176.600 -0.095 0.000 1.052 163 K CA 0.193 56.362 56.287 -0.197 0.000 0.984 163 K CB -0.054 32.347 32.500 -0.164 0.000 0.836 163 K HN 0.141 nan 8.250 nan 0.000 0.490 164 D N 1.343 121.719 120.400 -0.040 0.000 2.363 164 D HA -0.014 4.625 4.640 -0.000 0.000 0.263 164 D C -1.693 174.583 176.300 -0.040 0.000 1.258 164 D CA -1.907 52.100 54.000 0.011 0.000 0.907 164 D CB 1.261 42.133 40.800 0.119 0.000 1.107 164 D HN 0.043 nan 8.370 nan 0.000 0.495 165 P HA -0.106 nan 4.420 nan 0.000 0.221 165 P C 1.081 178.114 177.300 -0.445 0.000 1.150 165 P CA 0.786 63.813 63.100 -0.122 0.000 0.800 165 P CB 0.228 31.975 31.700 0.077 0.000 0.787 166 T N -0.460 113.558 114.554 -0.893 0.000 2.867 166 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 166 T C 2.124 176.275 174.700 -0.915 0.000 1.057 166 T CA 1.720 62.986 62.100 -1.389 0.000 1.136 166 T CB -0.970 67.097 68.868 -1.335 0.000 0.874 166 T HN 0.207 nan 8.240 nan 0.000 0.466 167 G N 1.064 109.524 108.800 -0.567 0.000 2.394 167 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.215 167 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.215 167 G C 1.687 176.309 174.900 -0.463 0.000 1.165 167 G CA 0.619 45.344 45.100 -0.624 0.000 0.784 167 G HN 0.419 nan 8.290 nan 0.000 0.535 168 V N 1.755 121.591 119.914 -0.131 0.000 2.287 168 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 168 V C 3.337 179.329 176.094 -0.170 0.000 1.053 168 V CA 2.159 64.431 62.300 -0.046 0.000 1.027 168 V CB -0.951 30.883 31.823 0.017 0.000 0.646 168 V HN 0.457 nan 8.190 nan 0.000 0.447 169 A N -0.538 122.146 122.820 -0.227 0.000 1.969 169 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 169 A C 2.146 179.566 177.584 -0.274 0.000 1.169 169 A CA 1.857 53.784 52.037 -0.184 0.000 0.635 169 A CB -0.508 18.434 19.000 -0.097 0.000 0.810 169 A HN 0.460 nan 8.150 nan 0.000 0.445 170 L N -0.985 119.961 121.223 -0.461 0.000 2.056 170 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 170 L C 2.092 178.751 176.870 -0.352 0.000 1.078 170 L CA 1.420 55.964 54.840 -0.493 0.000 0.749 170 L CB -0.365 41.206 42.059 -0.814 0.000 0.901 170 L HN 0.252 nan 8.230 nan 0.000 0.433 171 L N -0.566 120.447 121.223 -0.350 0.000 2.093 171 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 171 L C 2.200 178.973 176.870 -0.161 0.000 1.085 171 L CA 1.452 56.138 54.840 -0.257 0.000 0.755 171 L CB -1.367 40.536 42.059 -0.259 0.000 0.904 171 L HN 0.295 nan 8.230 nan 0.000 0.435 172 D N -0.311 120.006 120.400 -0.138 0.000 2.123 172 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 172 D C 2.221 178.470 176.300 -0.085 0.000 0.992 172 D CA 1.519 55.465 54.000 -0.090 0.000 0.833 172 D CB -0.068 40.691 40.800 -0.068 0.000 0.954 172 D HN 0.305 nan 8.370 nan 0.000 0.455 173 A N 0.354 123.110 122.820 -0.108 0.000 1.902 173 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 173 A C 2.566 180.103 177.584 -0.079 0.000 1.181 173 A CA 1.386 53.369 52.037 -0.090 0.000 0.623 173 A CB -1.029 17.900 19.000 -0.118 0.000 0.818 173 A HN 0.353 nan 8.150 nan 0.000 0.443 174 C N -0.450 118.789 119.300 -0.102 0.000 2.393 174 C HA -0.160 4.299 4.460 -0.000 0.000 0.276 174 C C 2.671 177.631 174.990 -0.050 0.000 1.215 174 C CA 1.392 60.364 59.018 -0.076 0.000 1.743 174 C CB -1.424 26.257 27.740 -0.098 0.000 2.044 174 C HN 0.704 nan 8.230 nan 0.000 0.464 175 E N 0.004 120.170 120.200 -0.057 0.000 2.118 175 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 175 E C 2.160 178.743 176.600 -0.028 0.000 0.992 175 E CA 1.200 57.577 56.400 -0.039 0.000 0.804 175 E CB -0.287 29.389 29.700 -0.041 0.000 0.741 175 E HN 0.713 nan 8.360 nan 0.000 0.458 176 Q N -0.121 119.660 119.800 -0.032 0.000 2.230 176 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 176 Q C 1.667 177.658 176.000 -0.014 0.000 0.963 176 Q CA 0.954 56.743 55.803 -0.022 0.000 0.866 176 Q CB 0.146 28.871 28.738 -0.023 0.000 0.931 176 Q HN 0.178 nan 8.270 nan 0.000 0.452 177 A N -0.049 122.762 122.820 -0.016 0.000 2.302 177 A HA 0.380 4.700 4.320 -0.000 0.000 0.219 177 A C 1.214 178.799 177.584 0.001 0.000 1.243 177 A CA 0.589 52.623 52.037 -0.005 0.000 0.856 177 A CB -0.285 18.713 19.000 -0.004 0.000 0.893 177 A HN 0.401 nan 8.150 nan 0.000 0.491 178 G N -0.830 107.969 108.800 -0.002 0.000 2.132 178 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.234 178 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.234 178 G C -0.047 174.859 174.900 0.010 0.000 0.989 178 G CA 0.210 45.313 45.100 0.005 0.000 0.676 178 G HN 0.529 nan 8.290 nan 0.000 0.522 179 I N 2.506 123.078 120.570 0.004 0.000 2.437 179 I HA 0.307 4.477 4.170 -0.000 0.000 0.279 179 I C -1.995 174.119 176.117 -0.004 0.000 1.028 179 I CA -2.347 58.961 61.300 0.012 0.000 1.142 179 I CB 2.069 40.077 38.000 0.013 0.000 1.266 179 I HN -0.094 nan 8.210 nan 0.000 0.461 180 P HA 0.223 nan 4.420 nan 0.000 0.276 180 P C -0.579 176.699 177.300 -0.037 0.000 1.252 180 P CA -0.585 62.504 63.100 -0.019 0.000 0.802 180 P CB 0.757 32.450 31.700 -0.012 0.000 1.035 181 R N 0.212 120.675 120.500 -0.061 0.000 2.537 181 R HA 0.465 4.805 4.340 -0.000 0.000 0.280 181 R C 0.171 176.409 176.300 -0.103 0.000 1.058 181 R CA 0.180 56.222 56.100 -0.098 0.000 1.057 181 R CB 0.123 30.365 30.300 -0.096 0.000 0.973 181 R HN 0.559 nan 8.270 nan 0.000 0.438 182 A N 2.757 125.471 122.820 -0.176 0.000 2.454 182 A HA 0.394 4.714 4.320 -0.000 0.000 0.302 182 A C -0.942 176.431 177.584 -0.352 0.000 1.079 182 A CA -0.807 51.126 52.037 -0.173 0.000 0.731 182 A CB 1.586 20.559 19.000 -0.046 0.000 1.299 182 A HN 0.511 nan 8.150 nan 0.000 0.413 183 K N 1.589 121.871 120.400 -0.197 0.000 2.201 183 K HA 0.465 4.785 4.320 -0.000 0.000 0.278 183 K C -1.263 175.319 176.600 -0.030 0.000 1.027 183 K CA 0.013 56.195 56.287 -0.175 0.000 0.909 183 K CB 0.447 32.911 32.500 -0.060 0.000 1.062 183 K HN 0.625 nan 8.250 nan 0.000 0.465 184 F N 2.276 122.287 119.950 0.102 0.000 2.377 184 F HA 0.118 4.645 4.527 -0.000 0.000 0.328 184 F C 1.188 177.013 175.800 0.042 0.000 1.094 184 F CA -0.799 57.288 58.000 0.145 0.000 1.093 184 F CB 0.745 39.856 39.000 0.185 0.000 1.214 184 F HN 0.645 nan 8.300 nan 0.000 0.518 185 N N 0.105 118.940 118.700 0.224 0.000 2.735 185 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 185 N C 0.813 176.189 175.510 -0.224 0.000 1.083 185 N CA 1.167 54.142 53.050 -0.125 0.000 0.703 185 N CB -1.683 36.718 38.487 -0.145 0.000 1.005 185 N HN 0.833 nan 8.380 nan 0.000 0.550 186 T N -4.699 109.773 114.554 -0.136 0.000 3.100 186 T HA 0.372 4.722 4.350 -0.000 0.000 0.253 186 T C 1.577 175.867 174.700 -0.684 0.000 1.118 186 T CA 1.219 63.189 62.100 -0.216 0.000 1.058 186 T CB 0.614 69.427 68.868 -0.091 0.000 0.953 186 T HN 0.761 nan 8.240 nan 0.000 0.515 187 G N 0.689 109.163 108.800 -0.543 0.000 2.234 187 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.235 187 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.235 187 G C 0.226 175.143 174.900 0.029 0.000 0.997 187 G CA 0.051 45.008 45.100 -0.239 0.000 0.623 187 G HN 0.709 nan 8.290 nan 0.000 0.514 188 T N 2.721 117.245 114.554 -0.050 0.000 2.749 188 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 188 T C 0.389 175.102 174.700 0.021 0.000 0.970 188 T CA 0.263 62.362 62.100 -0.002 0.000 0.980 188 T CB 1.537 70.390 68.868 -0.026 0.000 0.924 188 T HN 0.268 nan 8.240 nan 0.000 0.456 189 T N 3.129 117.699 114.554 0.027 0.000 2.908 189 T HA 0.126 4.476 4.350 -0.000 0.000 0.301 189 T C 0.486 175.165 174.700 -0.035 0.000 1.019 189 T CA -0.226 61.868 62.100 -0.009 0.000 1.152 189 T CB 0.242 69.101 68.868 -0.014 0.000 0.966 189 T HN 0.318 nan 8.240 nan 0.000 0.540 190 V N 5.722 125.581 119.914 -0.092 0.000 2.368 190 V HA 0.091 4.211 4.120 -0.000 0.000 0.266 190 V C 1.127 177.138 176.094 -0.139 0.000 1.045 190 V CA -0.085 62.183 62.300 -0.054 0.000 0.899 190 V CB 1.005 32.878 31.823 0.084 0.000 1.006 190 V HN 0.856 nan 8.190 nan 0.000 0.470 191 V N 3.706 123.606 119.914 -0.024 0.000 2.575 191 V HA 0.131 4.251 4.120 -0.000 0.000 0.242 191 V C 0.820 176.974 176.094 0.100 0.000 1.045 191 V CA 0.784 63.093 62.300 0.015 0.000 1.065 191 V CB -0.137 31.700 31.823 0.023 0.000 0.717 191 V HN 0.846 nan 8.190 nan 0.000 0.467 192 N N 0.455 119.215 118.700 0.100 0.000 2.531 192 N HA 0.571 5.311 4.740 -0.000 0.000 0.268 192 N C -0.533 175.055 175.510 0.130 0.000 1.023 192 N CA 0.571 53.693 53.050 0.121 0.000 0.896 192 N CB 1.384 39.917 38.487 0.075 0.000 1.233 192 N HN 0.421 nan 8.380 nan 0.000 0.512 193 G N 0.620 109.535 108.800 0.192 0.000 2.377 193 G HA2 0.661 4.621 3.960 -0.000 0.000 0.297 193 G HA3 0.661 4.621 3.960 -0.000 0.000 0.297 193 G C -2.013 173.035 174.900 0.248 0.000 1.547 193 G CA -0.166 45.037 45.100 0.171 0.000 0.833 193 G HN 0.649 nan 8.290 nan 0.000 0.583 194 A N 0.285 123.165 122.820 0.100 0.000 2.539 194 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 194 A C -0.557 176.935 177.584 -0.155 0.000 1.073 194 A CA -0.519 51.554 52.037 0.060 0.000 0.700 194 A CB 1.929 20.899 19.000 -0.051 0.000 1.296 194 A HN 1.229 nan 8.150 nan 0.000 0.405 195 N N -0.886 117.707 118.700 -0.179 0.000 3.355 195 N HA 0.447 5.187 4.740 -0.000 0.000 0.238 195 N C -1.378 173.986 175.510 -0.242 0.000 1.466 195 N CA -0.806 52.038 53.050 -0.343 0.000 0.882 195 N CB 0.614 38.721 38.487 -0.634 0.000 1.406 195 N HN 0.484 nan 8.380 nan 0.000 0.500 196 F N 1.583 121.444 119.950 -0.148 0.000 2.602 196 F HA 0.175 4.702 4.527 -0.000 0.000 0.367 196 F C 0.493 176.348 175.800 0.090 0.000 1.126 196 F CA 0.572 58.520 58.000 -0.085 0.000 1.321 196 F CB 0.256 39.224 39.000 -0.053 0.000 1.094 196 F HN 0.233 nan 8.300 nan 0.000 0.594 197 F N 1.311 121.520 119.950 0.431 0.000 2.435 197 F HA 0.156 4.682 4.527 -0.000 0.000 0.316 197 F C 0.729 176.644 175.800 0.191 0.000 1.220 197 F CA -0.636 57.557 58.000 0.323 0.000 1.241 197 F CB 0.392 39.476 39.000 0.140 0.000 1.234 197 F HN 0.320 nan 8.300 nan 0.000 0.569 198 Q N 2.219 122.190 119.800 0.284 0.000 2.259 198 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 198 Q C -0.594 175.422 176.000 0.027 0.000 0.914 198 Q CA -0.457 55.400 55.803 0.090 0.000 0.904 198 Q CB 1.936 30.666 28.738 -0.014 0.000 1.213 198 Q HN 0.497 nan 8.270 nan 0.000 0.428 199 I N -0.232 120.358 120.570 0.032 0.000 2.689 199 I HA 0.426 4.596 4.170 -0.000 0.000 0.299 199 I C -0.583 175.532 176.117 -0.003 0.000 1.059 199 I CA -1.263 60.040 61.300 0.006 0.000 1.055 199 I CB 2.050 40.079 38.000 0.048 0.000 1.243 199 I HN 0.471 nan 8.210 nan 0.000 0.425 200 N N 5.345 124.037 118.700 -0.013 0.000 2.645 200 N HA 0.351 5.090 4.740 -0.000 0.000 0.233 200 N C -0.909 174.605 175.510 0.007 0.000 1.058 200 N CA -0.463 52.590 53.050 0.004 0.000 0.942 200 N CB 1.188 39.678 38.487 0.006 0.000 1.210 200 N HN 0.766 nan 8.380 nan 0.000 0.512 201 R N 1.415 121.925 120.500 0.018 0.000 2.651 201 R HA 0.374 4.714 4.340 -0.000 0.000 0.278 201 R C -0.616 175.689 176.300 0.010 0.000 1.010 201 R CA -0.676 55.429 56.100 0.009 0.000 0.896 201 R CB 2.366 32.675 30.300 0.014 0.000 1.211 201 R HN 0.461 nan 8.270 nan 0.000 0.456 202 R N 0.814 121.299 120.500 -0.027 0.000 2.543 202 R HA 0.328 4.667 4.340 -0.000 0.000 0.268 202 R C 0.994 177.279 176.300 -0.024 0.000 1.067 202 R CA 0.173 56.240 56.100 -0.055 0.000 1.142 202 R CB 0.790 31.007 30.300 -0.138 0.000 1.110 202 R HN 0.747 nan 8.270 nan 0.000 0.549 203 A N 1.303 124.112 122.820 -0.019 0.000 2.019 203 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 203 A C 1.356 178.931 177.584 -0.015 0.000 1.164 203 A CA 1.877 53.907 52.037 -0.011 0.000 0.644 203 A CB -0.476 18.520 19.000 -0.005 0.000 0.805 203 A HN 0.870 nan 8.150 nan 0.000 0.449 204 D N -2.164 118.223 120.400 -0.022 0.000 2.349 204 D HA 0.239 4.879 4.640 -0.000 0.000 0.224 204 D C 1.160 177.458 176.300 -0.003 0.000 1.029 204 D CA 1.101 55.093 54.000 -0.013 0.000 0.879 204 D CB -0.404 40.386 40.800 -0.015 0.000 0.906 204 D HN 0.765 nan 8.370 nan 0.000 0.528 205 G N -0.632 108.167 108.800 -0.002 0.000 2.201 205 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.212 205 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.212 205 G C 0.313 175.227 174.900 0.023 0.000 0.994 205 G CA 0.110 45.219 45.100 0.014 0.000 0.644 205 G HN 0.416 nan 8.290 nan 0.000 0.508 206 T N 3.028 117.586 114.554 0.007 0.000 2.779 206 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 206 T C 0.956 175.653 174.700 -0.005 0.000 0.938 206 T CA -0.030 62.073 62.100 0.005 0.000 1.119 206 T CB 0.592 69.454 68.868 -0.011 0.000 0.891 206 T HN 0.735 nan 8.240 nan 0.000 0.526 207 R N 2.032 122.539 120.500 0.012 0.000 2.638 207 R HA 0.146 4.486 4.340 -0.000 0.000 0.268 207 R C 0.280 176.561 176.300 -0.032 0.000 1.006 207 R CA -0.258 55.843 56.100 0.003 0.000 1.088 207 R CB 0.138 30.449 30.300 0.018 0.000 0.950 207 R HN 0.383 nan 8.270 nan 0.000 0.419 208 S N 2.011 117.692 115.700 -0.032 0.000 3.965 208 S HA 0.069 4.538 4.470 -0.000 0.000 0.195 208 S C -0.057 174.519 174.600 -0.040 0.000 1.449 208 S CA -0.476 57.691 58.200 -0.054 0.000 0.965 208 S CB -0.511 62.674 63.200 -0.025 0.000 1.459 208 S HN 0.695 nan 8.310 nan 0.000 0.476 209 S N 1.607 117.277 115.700 -0.050 0.000 2.608 209 S HA 0.163 4.633 4.470 -0.000 0.000 0.261 209 S C 1.597 176.196 174.600 -0.002 0.000 1.314 209 S CA -0.118 58.070 58.200 -0.020 0.000 0.992 209 S CB 0.907 64.090 63.200 -0.028 0.000 0.935 209 S HN 0.625 nan 8.310 nan 0.000 0.564 210 S N 0.585 116.323 115.700 0.062 0.000 2.423 210 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 210 S C 1.897 176.578 174.600 0.135 0.000 1.014 210 S CA 0.906 59.219 58.200 0.189 0.000 0.965 210 S CB -1.201 62.081 63.200 0.137 0.000 0.785 210 S HN 0.903 nan 8.310 nan 0.000 0.495 211 S N 1.978 117.678 115.700 0.000 0.000 2.357 211 S HA -0.008 4.462 4.470 -0.000 0.000 0.221 211 S C 1.867 176.220 174.600 -0.413 0.000 1.031 211 S CA 0.889 59.046 58.200 -0.072 0.000 0.982 211 S CB -1.151 62.046 63.200 -0.004 0.000 0.853 211 S HN 0.333 nan 8.310 nan 0.000 0.458 212 V N 2.477 122.032 119.914 -0.599 0.000 2.252 212 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 212 V C 2.905 178.766 176.094 -0.388 0.000 1.056 212 V CA 2.385 64.222 62.300 -0.770 0.000 1.022 212 V CB -1.158 30.441 31.823 -0.373 0.000 0.641 212 V HN 0.575 nan 8.190 nan 0.000 0.445 213 S N -1.620 113.936 115.700 -0.241 0.000 2.345 213 S HA -0.136 4.334 4.470 -0.000 0.000 0.220 213 S C 1.820 176.246 174.600 -0.290 0.000 1.031 213 S CA 1.738 59.781 58.200 -0.263 0.000 0.996 213 S CB -0.342 62.676 63.200 -0.302 0.000 0.882 213 S HN 0.653 nan 8.310 nan 0.000 0.445 214 Y N 0.078 120.309 120.300 -0.116 0.000 2.479 214 Y HA 0.300 4.849 4.550 -0.000 0.000 0.283 214 Y C 1.989 177.805 175.900 -0.140 0.000 1.109 214 Y CA 0.068 58.100 58.100 -0.113 0.000 1.239 214 Y CB 0.169 38.566 38.460 -0.104 0.000 1.108 214 Y HN 0.175 nan 8.280 nan 0.000 0.548 215 I N -1.058 119.541 120.570 0.048 0.000 2.810 215 I HA -0.104 4.066 4.170 -0.000 0.000 0.262 215 I C 1.826 178.018 176.117 0.125 0.000 1.131 215 I CA 1.111 62.433 61.300 0.038 0.000 1.453 215 I CB -1.334 36.741 38.000 0.124 0.000 1.161 215 I HN 0.326 nan 8.210 nan 0.000 0.444 216 H N 1.438 120.502 119.070 -0.009 0.000 2.422 216 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 216 H C -0.530 174.788 175.328 -0.017 0.000 1.098 216 H CA 1.052 57.093 56.048 -0.012 0.000 1.315 216 H CB -0.945 28.803 29.762 -0.023 0.000 1.382 216 H HN 0.326 nan 8.280 nan 0.000 0.523 217 P HA -0.051 nan 4.420 nan 0.000 0.229 217 P C 1.090 178.396 177.300 0.011 0.000 1.160 217 P CA 1.009 64.127 63.100 0.029 0.000 0.777 217 P CB -0.055 31.640 31.700 -0.009 0.000 0.814 218 I N -6.083 114.476 120.570 -0.018 0.000 4.025 218 I HA 0.154 4.324 4.170 -0.000 0.000 0.336 218 I C 1.143 177.301 176.117 0.068 0.000 1.390 218 I CA -0.107 61.162 61.300 -0.051 0.000 1.099 218 I CB -0.079 37.777 38.000 -0.240 0.000 1.049 218 I HN -0.351 nan 8.210 nan 0.000 0.394 219 V N 1.648 121.650 119.914 0.147 0.000 2.392 219 V HA -0.162 3.958 4.120 -0.000 0.000 0.249 219 V C 2.195 178.443 176.094 0.258 0.000 1.059 219 V CA 1.815 64.286 62.300 0.285 0.000 1.051 219 V CB -0.595 31.329 31.823 0.169 0.000 0.658 219 V HN 0.467 nan 8.190 nan 0.000 0.455 220 E N -0.212 120.084 120.200 0.161 0.000 2.476 220 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 220 E C 0.964 177.648 176.600 0.140 0.000 1.064 220 E CA -0.023 56.456 56.400 0.132 0.000 0.866 220 E CB -0.154 29.597 29.700 0.085 0.000 0.952 220 E HN 0.704 nan 8.360 nan 0.000 0.492 221 Q N 1.135 121.043 119.800 0.179 0.000 2.364 221 Q HA -0.059 4.280 4.340 -0.000 0.000 0.267 221 Q C 1.238 177.344 176.000 0.177 0.000 0.999 221 Q CA 0.027 55.923 55.803 0.155 0.000 0.886 221 Q CB 0.823 29.641 28.738 0.132 0.000 1.243 221 Q HN -0.032 nan 8.270 nan 0.000 0.415 222 E N 2.887 123.164 120.200 0.129 0.000 2.051 222 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 222 E C 0.699 177.382 176.600 0.138 0.000 0.991 222 E CA 1.637 58.105 56.400 0.114 0.000 0.799 222 E CB 0.046 29.796 29.700 0.083 0.000 0.748 222 E HN 0.818 nan 8.360 nan 0.000 0.449 223 N N -0.077 118.721 118.700 0.163 0.000 2.362 223 N HA -0.044 4.696 4.740 -0.000 0.000 0.204 223 N C -0.471 175.196 175.510 0.263 0.000 1.166 223 N CA -0.100 53.063 53.050 0.187 0.000 0.831 223 N CB -0.452 38.135 38.487 0.167 0.000 1.008 223 N HN -0.010 nan 8.380 nan 0.000 0.472 224 F N 0.600 120.605 119.950 0.093 0.000 2.518 224 F HA 0.549 5.076 4.527 -0.000 0.000 0.323 224 F C -1.025 174.813 175.800 0.064 0.000 1.129 224 F CA -0.718 57.322 58.000 0.067 0.000 0.920 224 F CB 2.055 41.087 39.000 0.052 0.000 1.160 224 F HN -0.204 nan 8.300 nan 0.000 0.440 225 T N 7.549 121.596 114.554 -0.845 0.000 2.840 225 T HA 0.448 4.798 4.350 -0.000 0.000 0.287 225 T C -1.512 172.597 174.700 -0.985 0.000 0.991 225 T CA -0.403 61.308 62.100 -0.649 0.000 0.964 225 T CB 1.142 69.823 68.868 -0.313 0.000 0.954 225 T HN 0.544 nan 8.240 nan 0.000 0.438 226 L N 5.229 126.068 121.223 -0.641 0.000 2.265 226 L HA 0.655 4.995 4.340 -0.000 0.000 0.289 226 L C -1.590 175.235 176.870 -0.075 0.000 1.033 226 L CA -0.605 54.034 54.840 -0.334 0.000 0.814 226 L CB 0.470 42.518 42.059 -0.017 0.000 1.203 226 L HN 0.456 nan 8.230 nan 0.000 0.423 227 L N 5.267 126.440 121.223 -0.084 0.000 2.316 227 L HA 0.614 4.954 4.340 -0.000 0.000 0.280 227 L C 0.279 177.172 176.870 0.038 0.000 1.006 227 L CA -0.107 54.712 54.840 -0.035 0.000 0.836 227 L CB 1.599 43.605 42.059 -0.088 0.000 1.221 227 L HN 0.754 nan 8.230 nan 0.000 0.418 228 T N -1.538 113.075 114.554 0.099 0.000 2.940 228 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 228 T C 0.879 175.626 174.700 0.079 0.000 1.033 228 T CA -0.233 61.944 62.100 0.129 0.000 1.033 228 T CB 1.832 70.847 68.868 0.244 0.000 1.079 228 T HN 0.909 nan 8.240 nan 0.000 0.496 229 G N 0.601 109.443 108.800 0.071 0.000 2.148 229 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.254 229 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.254 229 G C -0.220 174.708 174.900 0.048 0.000 0.981 229 G CA 0.168 45.296 45.100 0.046 0.000 0.670 229 G HN 0.874 nan 8.290 nan 0.000 0.528 230 L N 0.020 121.279 121.223 0.060 0.000 2.349 230 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 230 L C 0.507 177.439 176.870 0.103 0.000 0.996 230 L CA -0.950 53.931 54.840 0.067 0.000 0.825 230 L CB 1.937 44.015 42.059 0.031 0.000 1.243 230 L HN 0.213 nan 8.230 nan 0.000 0.412 231 R N 3.094 123.674 120.500 0.133 0.000 2.229 231 R HA 0.686 5.026 4.340 -0.000 0.000 0.328 231 R C -0.278 176.072 176.300 0.084 0.000 1.009 231 R CA -0.426 55.783 56.100 0.182 0.000 0.864 231 R CB 1.354 31.834 30.300 0.301 0.000 1.085 231 R HN 0.725 nan 8.270 nan 0.000 0.453 232 A N 4.443 127.299 122.820 0.061 0.000 2.488 232 A HA 0.121 4.441 4.320 -0.000 0.000 0.249 232 A C 0.786 178.320 177.584 -0.082 0.000 1.083 232 A CA -0.379 51.645 52.037 -0.022 0.000 0.768 232 A CB 0.246 19.242 19.000 -0.006 0.000 1.017 232 A HN 1.062 nan 8.150 nan 0.000 0.496 233 R N 0.938 121.294 120.500 -0.240 0.000 2.344 233 R HA 0.310 4.650 4.340 -0.000 0.000 0.209 233 R C 0.297 176.489 176.300 -0.179 0.000 0.886 233 R CA 0.153 56.025 56.100 -0.380 0.000 1.040 233 R CB 0.452 30.082 30.300 -1.117 0.000 1.114 233 R HN 0.698 nan 8.270 nan 0.000 0.547 234 Q N 0.808 120.531 119.800 -0.128 0.000 2.503 234 Q HA 0.335 4.674 4.340 -0.000 0.000 0.268 234 Q C -1.703 174.255 176.000 -0.071 0.000 0.982 234 Q CA -0.642 55.122 55.803 -0.065 0.000 0.907 234 Q CB 2.149 30.849 28.738 -0.064 0.000 1.467 234 Q HN 0.151 nan 8.270 nan 0.000 0.394 235 L N 1.761 122.953 121.223 -0.052 0.000 2.418 235 L HA 0.638 4.978 4.340 -0.000 0.000 0.265 235 L C -0.379 176.341 176.870 -0.249 0.000 1.143 235 L CA -0.708 54.029 54.840 -0.172 0.000 0.809 235 L CB 1.206 43.160 42.059 -0.175 0.000 1.124 235 L HN 0.303 nan 8.230 nan 0.000 0.456 236 V N 1.855 121.485 119.914 -0.474 0.000 2.656 236 V HA 0.505 4.625 4.120 -0.000 0.000 0.307 236 V C -0.804 174.939 176.094 -0.585 0.000 1.051 236 V CA -0.473 61.630 62.300 -0.329 0.000 0.893 236 V CB 1.951 33.679 31.823 -0.158 0.000 0.999 236 V HN 0.388 nan 8.190 nan 0.000 0.426 237 F N 2.317 122.262 119.950 -0.008 0.000 2.540 237 F HA 0.522 5.049 4.527 -0.000 0.000 0.317 237 F C 0.298 176.094 175.800 -0.007 0.000 1.104 237 F CA -0.981 57.015 58.000 -0.006 0.000 0.913 237 F CB 1.629 40.626 39.000 -0.006 0.000 1.170 237 F HN 0.692 nan 8.300 nan 0.000 0.450 238 D N 1.438 121.925 120.400 0.144 0.000 2.380 238 D HA 0.274 4.914 4.640 -0.000 0.000 0.254 238 D C 1.057 177.413 176.300 0.094 0.000 1.288 238 D CA -0.236 53.816 54.000 0.087 0.000 1.008 238 D CB 0.376 41.203 40.800 0.045 0.000 1.099 238 D HN 0.528 nan 8.370 nan 0.000 0.537 239 A N -0.503 122.349 122.820 0.055 0.000 2.066 239 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 239 A C 1.380 178.985 177.584 0.035 0.000 1.157 239 A CA 1.002 53.063 52.037 0.039 0.000 0.670 239 A CB -0.553 18.460 19.000 0.023 0.000 0.804 239 A HN 0.522 nan 8.150 nan 0.000 0.453 240 D N -0.388 120.038 120.400 0.043 0.000 2.378 240 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 240 D C 0.538 176.866 176.300 0.048 0.000 1.012 240 D CA 0.273 54.295 54.000 0.038 0.000 0.905 240 D CB -0.215 40.608 40.800 0.038 0.000 0.895 240 D HN 0.414 nan 8.370 nan 0.000 0.532 241 R N -0.453 120.087 120.500 0.067 0.000 3.953 241 R HA -0.218 4.122 4.340 -0.000 0.000 0.340 241 R C 0.495 176.900 176.300 0.176 0.000 1.195 241 R CA 0.469 56.610 56.100 0.069 0.000 0.929 241 R CB -1.841 28.447 30.300 -0.020 0.000 1.402 241 R HN 0.248 nan 8.270 nan 0.000 0.540 242 R N 0.994 121.600 120.500 0.178 0.000 2.340 242 R HA 0.188 4.528 4.340 -0.000 0.000 0.300 242 R C 0.055 176.494 176.300 0.233 0.000 1.069 242 R CA -0.201 56.009 56.100 0.182 0.000 0.984 242 R CB 0.883 31.234 30.300 0.085 0.000 1.003 242 R HN 0.255 nan 8.270 nan 0.000 0.459 243 C N 4.747 124.164 119.300 0.196 0.000 2.651 243 C HA 0.105 4.565 4.460 -0.000 0.000 0.410 243 C C 1.827 176.720 174.990 -0.161 0.000 1.372 243 C CA 0.341 59.228 59.018 -0.219 0.000 1.707 243 C CB -0.500 27.097 27.740 -0.239 0.000 2.501 243 C HN 0.968 nan 8.230 nan 0.000 0.598 244 T N 2.381 116.806 114.554 -0.214 0.000 3.023 244 T HA 0.518 4.868 4.350 -0.000 0.000 0.253 244 T C 0.696 175.326 174.700 -0.117 0.000 1.038 244 T CA 0.543 62.572 62.100 -0.119 0.000 0.962 244 T CB 0.218 69.040 68.868 -0.078 0.000 1.018 244 T HN 1.415 nan 8.240 nan 0.000 0.521 245 G N 0.165 108.861 108.800 -0.173 0.000 2.323 245 G HA2 0.431 4.391 3.960 -0.000 0.000 0.291 245 G HA3 0.431 4.391 3.960 -0.000 0.000 0.291 245 G C -2.099 172.717 174.900 -0.139 0.000 1.278 245 G CA -0.050 44.983 45.100 -0.111 0.000 0.860 245 G HN 0.788 nan 8.290 nan 0.000 0.504 246 V N -0.019 119.847 119.914 -0.079 0.000 2.808 246 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 246 V C -1.593 174.470 176.094 -0.052 0.000 1.099 246 V CA -0.839 61.414 62.300 -0.079 0.000 0.920 246 V CB 2.088 33.875 31.823 -0.059 0.000 1.014 246 V HN 0.708 nan 8.190 nan 0.000 0.425 247 D N 6.111 126.469 120.400 -0.071 0.000 2.312 247 D HA 0.506 5.146 4.640 -0.000 0.000 0.252 247 D C 0.014 176.269 176.300 -0.075 0.000 1.150 247 D CA 0.453 54.412 54.000 -0.068 0.000 0.870 247 D CB 1.234 41.972 40.800 -0.103 0.000 1.153 247 D HN 0.761 nan 8.370 nan 0.000 0.457 248 I N -1.006 119.553 120.570 -0.017 0.000 2.785 248 I HA 0.679 4.849 4.170 -0.000 0.000 0.302 248 I C -0.466 175.692 176.117 0.069 0.000 1.069 248 I CA -1.301 60.002 61.300 0.004 0.000 1.045 248 I CB 2.175 40.201 38.000 0.043 0.000 1.236 248 I HN 0.064 nan 8.210 nan 0.000 0.429 249 V N 0.376 120.326 119.914 0.061 0.000 2.604 249 V HA 0.492 4.612 4.120 -0.000 0.000 0.305 249 V C -0.259 175.933 176.094 0.162 0.000 1.043 249 V CA -0.303 62.077 62.300 0.134 0.000 0.888 249 V CB 1.752 33.633 31.823 0.096 0.000 0.995 249 V HN 0.884 nan 8.190 nan 0.000 0.429 250 D N 1.943 122.457 120.400 0.190 0.000 2.348 250 D HA 0.167 4.806 4.640 -0.000 0.000 0.211 250 D C 0.791 177.151 176.300 0.100 0.000 0.998 250 D CA 1.382 55.449 54.000 0.112 0.000 0.873 250 D CB 0.807 41.650 40.800 0.072 0.000 0.925 250 D HN 0.844 nan 8.370 nan 0.000 0.524 251 S N -1.949 113.828 115.700 0.127 0.000 2.720 251 S HA 0.622 5.092 4.470 -0.000 0.000 0.287 251 S C 0.608 175.276 174.600 0.114 0.000 1.168 251 S CA 0.076 58.348 58.200 0.119 0.000 0.832 251 S CB 1.167 64.454 63.200 0.146 0.000 1.166 251 S HN -0.111 nan 8.310 nan 0.000 0.493 252 A N 0.345 123.160 122.820 -0.009 0.000 2.014 252 A HA 0.245 4.565 4.320 -0.000 0.000 0.218 252 A C 0.780 178.120 177.584 -0.408 0.000 1.163 252 A CA 0.936 52.823 52.037 -0.250 0.000 0.652 252 A CB -0.735 17.974 19.000 -0.485 0.000 0.808 252 A HN 0.736 nan 8.150 nan 0.000 0.449 253 F N -0.074 119.923 119.950 0.079 0.000 2.647 253 F HA 0.404 4.931 4.527 -0.000 0.000 0.300 253 F C 1.285 177.127 175.800 0.071 0.000 1.106 253 F CA -0.900 57.150 58.000 0.083 0.000 1.313 253 F CB -0.529 38.501 39.000 0.051 0.000 1.007 253 F HN 0.098 nan 8.300 nan 0.000 0.536 254 G N -0.269 108.653 108.800 0.204 0.000 2.527 254 G HA2 0.194 4.154 3.960 -0.000 0.000 0.248 254 G HA3 0.194 4.154 3.960 -0.000 0.000 0.248 254 G C -0.317 174.676 174.900 0.155 0.000 1.231 254 G CA -0.331 44.823 45.100 0.090 0.000 0.838 254 G HN 0.438 nan 8.290 nan 0.000 0.570 255 H N -0.490 118.612 119.070 0.054 0.000 2.822 255 H HA 0.187 4.743 4.556 -0.000 0.000 0.373 255 H C 0.383 175.541 175.328 -0.283 0.000 1.223 255 H CA -0.031 55.946 56.048 -0.118 0.000 1.436 255 H CB 0.605 30.257 29.762 -0.183 0.000 1.439 255 H HN 0.340 nan 8.280 nan 0.000 0.618 256 T N 2.425 116.850 114.554 -0.215 0.000 2.829 256 T HA 0.210 4.559 4.350 -0.000 0.000 0.282 256 T C -0.439 174.029 174.700 -0.387 0.000 0.990 256 T CA -0.723 61.244 62.100 -0.222 0.000 1.028 256 T CB 0.412 69.202 68.868 -0.130 0.000 0.951 256 T HN 0.476 nan 8.240 nan 0.000 0.460 257 H N 1.702 120.777 119.070 0.008 0.000 2.637 257 H HA 0.482 5.038 4.556 -0.000 0.000 0.363 257 H C -0.265 175.059 175.328 -0.007 0.000 1.131 257 H CA -1.000 55.054 56.048 0.011 0.000 1.183 257 H CB 1.899 31.676 29.762 0.026 0.000 1.637 257 H HN 0.298 nan 8.280 nan 0.000 0.531 258 R N 2.432 122.995 120.500 0.105 0.000 2.254 258 R HA 0.350 4.690 4.340 -0.000 0.000 0.318 258 R C -1.186 175.154 176.300 0.067 0.000 1.031 258 R CA -0.346 55.784 56.100 0.050 0.000 0.905 258 R CB 0.050 30.360 30.300 0.016 0.000 1.050 258 R HN 0.524 nan 8.270 nan 0.000 0.456 259 L N 3.604 124.864 121.223 0.062 0.000 2.329 259 L HA 0.516 4.856 4.340 -0.000 0.000 0.279 259 L C -0.287 176.631 176.870 0.079 0.000 1.014 259 L CA -0.801 54.107 54.840 0.113 0.000 0.814 259 L CB 2.312 44.456 42.059 0.143 0.000 1.257 259 L HN 0.655 nan 8.230 nan 0.000 0.424 260 T N 1.960 116.568 114.554 0.089 0.000 2.807 260 T HA 0.613 4.963 4.350 -0.000 0.000 0.279 260 T C -0.173 174.564 174.700 0.062 0.000 0.993 260 T CA -0.468 61.649 62.100 0.029 0.000 0.970 260 T CB 1.742 70.596 68.868 -0.022 0.000 0.950 260 T HN 0.649 nan 8.240 nan 0.000 0.441 261 A N 2.941 125.773 122.820 0.021 0.000 2.292 261 A HA 0.488 4.808 4.320 -0.000 0.000 0.319 261 A C 1.166 178.712 177.584 -0.063 0.000 1.206 261 A CA -0.689 51.349 52.037 0.001 0.000 0.835 261 A CB 0.658 19.653 19.000 -0.008 0.000 1.164 261 A HN 0.925 nan 8.150 nan 0.000 0.505 262 R N 1.349 121.788 120.500 -0.103 0.000 2.119 262 R HA -0.047 4.293 4.340 -0.000 0.000 0.222 262 R C 0.607 176.811 176.300 -0.161 0.000 1.088 262 R CA 1.366 57.394 56.100 -0.120 0.000 0.984 262 R CB 0.078 30.307 30.300 -0.118 0.000 0.884 262 R HN 0.752 nan 8.270 nan 0.000 0.447 263 N N -0.254 118.275 118.700 -0.286 0.000 2.804 263 N HA 0.105 4.845 4.740 -0.000 0.000 0.233 263 N C -0.287 175.131 175.510 -0.154 0.000 1.020 263 N CA 0.548 53.412 53.050 -0.310 0.000 1.164 263 N CB 0.635 38.690 38.487 -0.720 0.000 1.571 263 N HN 0.010 nan 8.380 nan 0.000 0.551 264 E N -0.158 119.954 120.200 -0.148 0.000 2.383 264 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 264 E C -1.332 175.344 176.600 0.126 0.000 0.918 264 E CA -0.653 55.805 56.400 0.097 0.000 0.764 264 E CB 3.197 33.063 29.700 0.276 0.000 1.252 264 E HN -0.216 nan 8.360 nan 0.000 0.449 265 V N 1.858 121.821 119.914 0.081 0.000 2.483 265 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 265 V C -0.387 175.753 176.094 0.077 0.000 1.035 265 V CA -0.722 61.616 62.300 0.063 0.000 0.896 265 V CB 1.637 33.453 31.823 -0.012 0.000 0.986 265 V HN 0.396 nan 8.190 nan 0.000 0.447 266 V N 5.858 125.814 119.914 0.070 0.000 2.357 266 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 266 V C -0.317 175.791 176.094 0.023 0.000 1.018 266 V CA -0.581 61.747 62.300 0.046 0.000 0.841 266 V CB 1.501 33.346 31.823 0.036 0.000 0.991 266 V HN 0.652 nan 8.190 nan 0.000 0.437 267 L N 4.868 126.100 121.223 0.015 0.000 2.281 267 L HA 0.513 4.853 4.340 -0.000 0.000 0.285 267 L C 0.652 177.517 176.870 -0.008 0.000 1.074 267 L CA 1.028 55.870 54.840 0.002 0.000 0.817 267 L CB 1.457 43.517 42.059 0.002 0.000 1.168 267 L HN 0.645 nan 8.230 nan 0.000 0.434 268 S N 1.429 117.124 115.700 -0.008 0.000 2.901 268 S HA 0.068 4.538 4.470 -0.000 0.000 0.248 268 S C 0.967 175.562 174.600 -0.009 0.000 1.021 268 S CA 0.203 58.395 58.200 -0.013 0.000 1.090 268 S CB 0.181 63.376 63.200 -0.008 0.000 1.039 268 S HN 0.832 nan 8.310 nan 0.000 0.514 269 T N -0.390 114.151 114.554 -0.021 0.000 3.129 269 T HA 0.490 4.840 4.350 -0.000 0.000 0.251 269 T C 1.144 175.813 174.700 -0.053 0.000 1.117 269 T CA 0.325 62.412 62.100 -0.022 0.000 1.034 269 T CB -0.030 68.810 68.868 -0.047 0.000 0.968 269 T HN 0.761 nan 8.240 nan 0.000 0.526 270 G N 0.497 109.262 108.800 -0.059 0.000 2.655 270 G HA2 0.188 4.148 3.960 -0.000 0.000 0.680 270 G HA3 0.188 4.148 3.960 -0.000 0.000 0.680 270 G C 0.658 175.489 174.900 -0.116 0.000 1.302 270 G CA -0.442 44.616 45.100 -0.070 0.000 0.872 270 G HN 0.754 nan 8.290 nan 0.000 0.540 271 A N -0.813 121.931 122.820 -0.126 0.000 2.119 271 A HA 0.353 4.672 4.320 -0.000 0.000 0.217 271 A C 2.322 179.779 177.584 -0.212 0.000 1.153 271 A CA 2.035 53.972 52.037 -0.166 0.000 0.692 271 A CB -0.252 18.647 19.000 -0.169 0.000 0.799 271 A HN 0.799 nan 8.150 nan 0.000 0.458 272 I N -1.359 119.064 120.570 -0.244 0.000 2.685 272 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 272 I C 1.470 177.374 176.117 -0.356 0.000 1.102 272 I CA 0.719 61.808 61.300 -0.352 0.000 1.442 272 I CB -0.232 37.471 38.000 -0.494 0.000 1.194 272 I HN 0.163 nan 8.210 nan 0.000 0.448 273 D N 0.510 120.715 120.400 -0.324 0.000 2.234 273 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 273 D C 2.018 178.207 176.300 -0.185 0.000 0.962 273 D CA 1.175 54.999 54.000 -0.293 0.000 0.855 273 D CB 0.192 40.788 40.800 -0.341 0.000 0.951 273 D HN 0.237 nan 8.370 nan 0.000 0.500 274 T N 1.450 115.912 114.554 -0.153 0.000 2.737 274 T HA -0.059 4.291 4.350 -0.000 0.000 0.265 274 T C -0.975 173.666 174.700 -0.098 0.000 1.038 274 T CA 0.921 62.958 62.100 -0.105 0.000 1.144 274 T CB -0.740 68.072 68.868 -0.093 0.000 0.866 274 T HN 0.190 nan 8.240 nan 0.000 0.434 275 P HA -0.072 nan 4.420 nan 0.000 0.217 275 P C 1.416 178.664 177.300 -0.086 0.000 1.150 275 P CA 1.213 64.250 63.100 -0.105 0.000 0.832 275 P CB -0.002 31.616 31.700 -0.137 0.000 0.787 276 K N -0.152 120.178 120.400 -0.116 0.000 2.009 276 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 276 K C 2.147 178.715 176.600 -0.053 0.000 1.049 276 K CA 1.231 57.462 56.287 -0.094 0.000 0.929 276 K CB -0.811 31.605 32.500 -0.140 0.000 0.714 276 K HN -0.089 nan 8.250 nan 0.000 0.440 277 L N 1.611 122.802 121.223 -0.054 0.000 2.079 277 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 277 L C 2.090 178.965 176.870 0.007 0.000 1.081 277 L CA 1.479 56.307 54.840 -0.020 0.000 0.752 277 L CB -0.308 41.736 42.059 -0.027 0.000 0.896 277 L HN 0.268 nan 8.230 nan 0.000 0.433 278 L N -1.840 119.385 121.223 0.002 0.000 2.056 278 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 278 L C 2.477 179.360 176.870 0.021 0.000 1.078 278 L CA 1.480 56.336 54.840 0.027 0.000 0.749 278 L CB -0.431 41.632 42.059 0.007 0.000 0.901 278 L HN 0.300 nan 8.230 nan 0.000 0.433 279 M N -0.733 118.870 119.600 0.005 0.000 2.132 279 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 279 M C 2.254 178.558 176.300 0.007 0.000 1.065 279 M CA 1.613 56.920 55.300 0.012 0.000 1.122 279 M CB -0.362 32.258 32.600 0.033 0.000 1.365 279 M HN 0.205 nan 8.290 nan 0.000 0.411 280 L N -0.490 120.736 121.223 0.006 0.000 2.261 280 L HA -0.172 4.168 4.340 -0.000 0.000 0.216 280 L C 1.778 178.670 176.870 0.037 0.000 1.114 280 L CA 0.787 55.637 54.840 0.016 0.000 0.777 280 L CB -0.488 41.586 42.059 0.024 0.000 0.910 280 L HN 0.238 nan 8.230 nan 0.000 0.440 281 S N -0.685 115.051 115.700 0.062 0.000 2.577 281 S HA 0.268 4.738 4.470 -0.000 0.000 0.219 281 S C 1.273 175.936 174.600 0.105 0.000 0.962 281 S CA 0.517 58.794 58.200 0.128 0.000 0.921 281 S CB 0.737 64.075 63.200 0.229 0.000 0.789 281 S HN 0.604 nan 8.310 nan 0.000 0.497 282 G N 1.702 110.521 108.800 0.032 0.000 2.131 282 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.223 282 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.223 282 G C -0.126 174.741 174.900 -0.056 0.000 0.990 282 G CA -0.358 44.733 45.100 -0.016 0.000 0.671 282 G HN 0.512 nan 8.290 nan 0.000 0.521 283 I N 0.805 121.354 120.570 -0.035 0.000 2.448 283 I HA 0.667 4.837 4.170 -0.000 0.000 0.281 283 I C 0.652 176.754 176.117 -0.025 0.000 1.027 283 I CA 0.036 61.303 61.300 -0.055 0.000 1.111 283 I CB 1.376 39.339 38.000 -0.061 0.000 1.236 283 I HN 0.465 nan 8.210 nan 0.000 0.452 284 G N 6.266 115.052 108.800 -0.023 0.000 2.321 284 G HA2 0.299 4.259 3.960 -0.000 0.000 0.296 284 G HA3 0.299 4.259 3.960 -0.000 0.000 0.296 284 G C -3.395 171.508 174.900 0.004 0.000 1.287 284 G CA -0.776 44.323 45.100 -0.002 0.000 0.846 284 G HN 0.131 nan 8.290 nan 0.000 0.508 285 P HA 0.369 nan 4.420 nan 0.000 0.271 285 P C 0.905 178.230 177.300 0.041 0.000 1.233 285 P CA 0.671 63.783 63.100 0.020 0.000 0.764 285 P CB 1.276 32.987 31.700 0.018 0.000 0.825 286 A N 5.262 128.088 122.820 0.011 0.000 1.892 286 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 286 A C 2.109 179.698 177.584 0.007 0.000 1.188 286 A CA 2.406 54.444 52.037 0.001 0.000 0.631 286 A CB -1.548 17.445 19.000 -0.012 0.000 0.822 286 A HN 0.503 nan 8.150 nan 0.000 0.447 287 A N -1.849 120.980 122.820 0.016 0.000 2.015 287 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 287 A C 2.076 179.681 177.584 0.035 0.000 1.163 287 A CA 1.581 53.624 52.037 0.010 0.000 0.646 287 A CB -0.857 18.147 19.000 0.006 0.000 0.806 287 A HN 0.810 nan 8.150 nan 0.000 0.448 288 H N -0.796 118.260 119.070 -0.023 0.000 2.363 288 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 288 H C 1.751 177.112 175.328 0.055 0.000 1.074 288 H CA 1.452 57.503 56.048 0.005 0.000 1.354 288 H CB 0.065 29.838 29.762 0.018 0.000 1.397 288 H HN 0.330 nan 8.280 nan 0.000 0.516 289 L N 1.154 122.341 121.223 -0.060 0.000 2.046 289 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 289 L C 3.005 179.830 176.870 -0.076 0.000 1.077 289 L CA 1.701 56.489 54.840 -0.087 0.000 0.747 289 L CB -1.047 40.995 42.059 -0.029 0.000 0.896 289 L HN 0.327 nan 8.230 nan 0.000 0.432 290 A N -0.201 122.580 122.820 -0.065 0.000 1.933 290 A HA -0.238 4.081 4.320 -0.000 0.000 0.218 290 A C 2.228 179.746 177.584 -0.110 0.000 1.175 290 A CA 1.558 53.557 52.037 -0.065 0.000 0.628 290 A CB -0.648 18.324 19.000 -0.047 0.000 0.814 290 A HN 0.614 nan 8.150 nan 0.000 0.444 291 E N -0.935 119.160 120.200 -0.175 0.000 2.333 291 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 291 E C 0.861 177.192 176.600 -0.448 0.000 1.007 291 E CA 1.252 57.481 56.400 -0.285 0.000 0.845 291 E CB -0.344 29.180 29.700 -0.293 0.000 0.766 291 E HN 0.727 nan 8.360 nan 0.000 0.507 292 H N -0.333 118.656 119.070 -0.135 0.000 2.505 292 H HA 0.234 4.790 4.556 -0.000 0.000 0.289 292 H C 0.986 176.268 175.328 -0.076 0.000 1.052 292 H CA 0.393 56.371 56.048 -0.116 0.000 1.156 292 H CB 0.918 30.577 29.762 -0.173 0.000 1.507 292 H HN 0.402 nan 8.280 nan 0.000 0.548 293 G N 1.702 110.495 108.800 -0.012 0.000 2.203 293 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.263 293 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.263 293 G C 0.189 175.091 174.900 0.004 0.000 1.012 293 G CA 0.158 45.255 45.100 -0.005 0.000 0.749 293 G HN 0.390 nan 8.290 nan 0.000 0.512 294 I N 0.329 120.900 120.570 0.001 0.000 2.331 294 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 294 I C 0.641 176.752 176.117 -0.009 0.000 0.998 294 I CA -0.755 60.545 61.300 0.001 0.000 1.267 294 I CB 1.402 39.400 38.000 -0.003 0.000 1.386 294 I HN 0.158 nan 8.210 nan 0.000 0.476 295 E N 4.968 125.165 120.200 -0.006 0.000 2.376 295 E HA 0.129 4.479 4.350 -0.000 0.000 0.266 295 E C -0.903 175.684 176.600 -0.021 0.000 1.009 295 E CA -0.297 56.095 56.400 -0.012 0.000 0.902 295 E CB 0.845 30.541 29.700 -0.007 0.000 0.972 295 E HN 0.313 nan 8.360 nan 0.000 0.439 296 V N 7.163 127.059 119.914 -0.029 0.000 2.397 296 V HA -0.022 4.098 4.120 -0.000 0.000 0.262 296 V C 0.956 177.014 176.094 -0.060 0.000 1.047 296 V CA -0.011 62.265 62.300 -0.041 0.000 1.003 296 V CB 0.682 32.483 31.823 -0.036 0.000 1.037 296 V HN 0.750 nan 8.190 nan 0.000 0.480 297 L N 6.570 127.739 121.223 -0.090 0.000 2.145 297 L HA 0.256 4.596 4.340 -0.000 0.000 0.201 297 L C 0.657 177.440 176.870 -0.144 0.000 1.075 297 L CA 1.705 56.461 54.840 -0.139 0.000 0.773 297 L CB 0.535 42.452 42.059 -0.238 0.000 0.936 297 L HN 0.441 nan 8.230 nan 0.000 0.451 298 V N 0.777 120.608 119.914 -0.138 0.000 2.525 298 V HA 0.292 4.412 4.120 -0.000 0.000 0.299 298 V C -1.227 174.823 176.094 -0.074 0.000 1.034 298 V CA -1.005 61.227 62.300 -0.113 0.000 0.863 298 V CB 1.378 33.118 31.823 -0.138 0.000 0.999 298 V HN 0.091 nan 8.190 nan 0.000 0.423 299 D N 3.210 123.576 120.400 -0.056 0.000 2.374 299 D HA 0.251 4.891 4.640 -0.000 0.000 0.240 299 D C -0.090 176.188 176.300 -0.037 0.000 1.229 299 D CA 0.561 54.538 54.000 -0.039 0.000 0.895 299 D CB 1.159 41.940 40.800 -0.032 0.000 1.046 299 D HN 0.491 nan 8.370 nan 0.000 0.498 300 S N 5.111 120.789 115.700 -0.036 0.000 2.389 300 S HA 0.323 4.792 4.470 -0.000 0.000 0.201 300 S C -1.943 172.636 174.600 -0.035 0.000 1.422 300 S CA -1.184 56.995 58.200 -0.036 0.000 1.216 300 S CB 1.119 64.294 63.200 -0.042 0.000 1.130 300 S HN 0.335 nan 8.310 nan 0.000 0.465 301 P HA 0.070 nan 4.420 nan 0.000 0.226 301 P C 1.286 178.538 177.300 -0.079 0.000 1.153 301 P CA 0.605 63.677 63.100 -0.047 0.000 0.777 301 P CB -0.103 31.576 31.700 -0.035 0.000 0.794 302 G N 0.061 108.831 108.800 -0.049 0.000 2.920 302 G HA2 0.050 4.010 3.960 -0.000 0.000 0.208 302 G HA3 0.050 4.010 3.960 -0.000 0.000 0.208 302 G C 0.464 175.293 174.900 -0.119 0.000 1.159 302 G CA -0.057 45.006 45.100 -0.062 0.000 0.784 302 G HN 0.143 nan 8.290 nan 0.000 0.535 303 V N 1.118 120.974 119.914 -0.096 0.000 2.479 303 V HA 0.460 4.580 4.120 -0.000 0.000 0.281 303 V C 1.577 177.587 176.094 -0.140 0.000 1.031 303 V CA 1.206 63.446 62.300 -0.099 0.000 1.038 303 V CB 0.332 32.117 31.823 -0.064 0.000 0.981 303 V HN 0.646 nan 8.190 nan 0.000 0.478 304 G N 3.725 112.427 108.800 -0.164 0.000 2.199 304 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 304 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 304 G C 0.180 174.924 174.900 -0.260 0.000 0.982 304 G CA 0.075 45.057 45.100 -0.197 0.000 0.632 304 G HN 0.592 nan 8.290 nan 0.000 0.529 305 E N -0.445 119.545 120.200 -0.351 0.000 2.292 305 E HA 0.550 4.900 4.350 -0.000 0.000 0.258 305 E C 0.848 177.136 176.600 -0.520 0.000 1.115 305 E CA -0.264 55.807 56.400 -0.548 0.000 0.929 305 E CB 0.268 29.434 29.700 -0.890 0.000 1.161 305 E HN 0.618 nan 8.360 nan 0.000 0.453 306 H N -1.848 117.129 119.070 -0.154 0.000 3.049 306 H HA -0.181 4.375 4.556 -0.000 0.000 0.250 306 H C 0.028 175.243 175.328 -0.188 0.000 1.219 306 H CA 0.053 56.001 56.048 -0.167 0.000 1.117 306 H CB -1.834 27.816 29.762 -0.186 0.000 1.251 306 H HN 0.152 nan 8.280 nan 0.000 0.338 307 L N 2.044 123.186 121.223 -0.136 0.000 2.462 307 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 307 L C 0.272 177.053 176.870 -0.148 0.000 1.166 307 L CA 0.807 55.546 54.840 -0.168 0.000 0.880 307 L CB 0.654 42.587 42.059 -0.210 0.000 1.142 307 L HN 0.270 nan 8.230 nan 0.000 0.473 308 Q N 3.442 123.156 119.800 -0.143 0.000 2.387 308 Q HA 0.607 4.947 4.340 -0.000 0.000 0.273 308 Q C -1.349 174.650 176.000 -0.001 0.000 1.089 308 Q CA -0.813 54.946 55.803 -0.074 0.000 0.824 308 Q CB 2.314 31.012 28.738 -0.068 0.000 1.367 308 Q HN 0.705 nan 8.270 nan 0.000 0.443 309 D N -0.936 119.540 120.400 0.126 0.000 2.643 309 D HA 0.255 4.895 4.640 -0.000 0.000 0.283 309 D C -1.601 174.762 176.300 0.104 0.000 1.242 309 D CA -0.566 53.559 54.000 0.208 0.000 0.863 309 D CB 1.379 42.374 40.800 0.325 0.000 1.382 309 D HN 0.531 nan 8.370 nan 0.000 0.444 310 H N 0.743 119.885 119.070 0.121 0.000 2.700 310 H HA 0.358 4.914 4.556 -0.000 0.000 0.269 310 H C -1.794 173.493 175.328 -0.067 0.000 1.222 310 H CA -1.764 54.266 56.048 -0.030 0.000 1.254 310 H CB 1.058 30.780 29.762 -0.067 0.000 1.413 310 H HN 0.030 nan 8.280 nan 0.000 0.507 311 P HA -0.015 nan 4.420 nan 0.000 0.272 311 P C -0.292 176.961 177.300 -0.078 0.000 1.223 311 P CA -0.005 62.975 63.100 -0.200 0.000 0.784 311 P CB 1.538 32.940 31.700 -0.497 0.000 0.923 312 E N 0.842 121.002 120.200 -0.066 0.000 2.275 312 E HA 0.553 4.903 4.350 -0.000 0.000 0.270 312 E C -0.650 175.989 176.600 0.065 0.000 0.882 312 E CA -0.877 55.514 56.400 -0.016 0.000 0.758 312 E CB 1.470 31.096 29.700 -0.123 0.000 1.195 312 E HN 0.548 nan 8.360 nan 0.000 0.419 313 G N 1.384 110.241 108.800 0.095 0.000 2.552 313 G HA2 0.611 4.571 3.960 -0.000 0.000 0.318 313 G HA3 0.611 4.571 3.960 -0.000 0.000 0.318 313 G C -1.197 173.792 174.900 0.149 0.000 1.240 313 G CA -0.499 44.669 45.100 0.114 0.000 1.002 313 G HN 0.395 nan 8.290 nan 0.000 0.493 314 V N -0.673 119.356 119.914 0.191 0.000 2.808 314 V HA 0.620 4.740 4.120 -0.000 0.000 0.308 314 V C -1.202 175.019 176.094 0.212 0.000 1.099 314 V CA -0.553 61.886 62.300 0.231 0.000 0.920 314 V CB 2.094 34.093 31.823 0.295 0.000 1.014 314 V HN 0.592 nan 8.190 nan 0.000 0.425 315 V N 6.612 126.610 119.914 0.139 0.000 2.487 315 V HA 0.582 4.702 4.120 -0.000 0.000 0.298 315 V C -0.391 175.632 176.094 -0.119 0.000 1.028 315 V CA -0.523 61.745 62.300 -0.053 0.000 0.860 315 V CB 1.695 33.508 31.823 -0.016 0.000 0.991 315 V HN 0.942 nan 8.190 nan 0.000 0.427 316 Q N 3.408 123.003 119.800 -0.341 0.000 2.342 316 Q HA 0.733 5.073 4.340 -0.000 0.000 0.267 316 Q C -1.731 173.894 176.000 -0.625 0.000 1.038 316 Q CA -0.441 55.190 55.803 -0.286 0.000 0.832 316 Q CB 2.882 31.545 28.738 -0.124 0.000 1.323 316 Q HN 0.654 nan 8.270 nan 0.000 0.448 317 F N 0.177 119.891 119.950 -0.393 0.000 2.576 317 F HA 0.270 4.797 4.527 -0.000 0.000 0.313 317 F C 0.102 175.657 175.800 -0.408 0.000 1.078 317 F CA -1.089 56.637 58.000 -0.456 0.000 0.921 317 F CB 1.756 40.312 39.000 -0.742 0.000 1.232 317 F HN 0.447 nan 8.300 nan 0.000 0.459 318 E N 1.759 121.961 120.200 0.004 0.000 2.338 318 E HA 0.570 4.920 4.350 -0.000 0.000 0.272 318 E C -0.795 175.887 176.600 0.137 0.000 1.029 318 E CA -0.346 56.083 56.400 0.048 0.000 0.872 318 E CB 1.130 30.867 29.700 0.062 0.000 1.015 318 E HN 0.703 nan 8.360 nan 0.000 0.417 319 A N 4.383 127.345 122.820 0.237 0.000 2.316 319 A HA 0.255 4.575 4.320 -0.000 0.000 0.284 319 A C 0.236 177.982 177.584 0.270 0.000 1.115 319 A CA -0.489 51.815 52.037 0.445 0.000 0.812 319 A CB 0.656 20.019 19.000 0.606 0.000 1.064 319 A HN 0.841 nan 8.150 nan 0.000 0.489 320 K N 0.311 120.839 120.400 0.214 0.000 2.426 320 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 320 K C 0.210 176.773 176.600 -0.061 0.000 1.028 320 K CA 0.727 57.036 56.287 0.037 0.000 1.047 320 K CB 0.200 32.678 32.500 -0.036 0.000 0.821 320 K HN 0.757 nan 8.250 nan 0.000 0.513 321 Q N -0.139 119.628 119.800 -0.055 0.000 2.495 321 Q HA 0.320 4.660 4.340 -0.000 0.000 0.287 321 Q C -2.805 173.304 176.000 0.180 0.000 1.078 321 Q CA -2.545 53.204 55.803 -0.089 0.000 0.793 321 Q CB 1.932 30.361 28.738 -0.515 0.000 1.459 321 Q HN -0.189 nan 8.270 nan 0.000 0.422 322 P HA -0.015 nan 4.420 nan 0.000 0.263 322 P C -0.777 176.735 177.300 0.353 0.000 1.195 322 P CA 0.406 63.638 63.100 0.220 0.000 0.762 322 P CB 0.400 32.190 31.700 0.150 0.000 0.799 323 M N 2.740 122.530 119.600 0.318 0.000 2.226 323 M HA 0.085 4.565 4.480 -0.000 0.000 0.324 323 M C 0.571 176.998 176.300 0.211 0.000 1.112 323 M CA -0.559 54.906 55.300 0.275 0.000 1.176 323 M CB 0.110 32.855 32.600 0.241 0.000 1.430 323 M HN 0.142 nan 8.290 nan 0.000 0.462 324 V N 0.543 120.557 119.914 0.165 0.000 3.032 324 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 324 V C 0.958 177.188 176.094 0.227 0.000 1.097 324 V CA 0.171 62.561 62.300 0.150 0.000 1.191 324 V CB -0.395 31.474 31.823 0.078 0.000 0.964 324 V HN 0.961 nan 8.190 nan 0.000 0.494 325 A N 2.074 125.010 122.820 0.194 0.000 2.303 325 A HA 0.382 4.702 4.320 -0.000 0.000 0.217 325 A C 0.753 178.539 177.584 0.336 0.000 1.205 325 A CA 0.092 52.276 52.037 0.244 0.000 0.875 325 A CB -0.216 18.877 19.000 0.154 0.000 0.910 325 A HN 0.959 nan 8.150 nan 0.000 0.501 326 E N -1.225 119.071 120.200 0.161 0.000 2.383 326 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 326 E C -1.344 175.005 176.600 -0.419 0.000 0.918 326 E CA -0.505 55.874 56.400 -0.036 0.000 0.764 326 E CB 2.121 31.815 29.700 -0.010 0.000 1.252 326 E HN 0.109 nan 8.360 nan 0.000 0.449 327 S N -0.616 114.642 115.700 -0.738 0.000 2.587 327 S HA 0.214 4.684 4.470 -0.000 0.000 0.269 327 S C 0.596 174.866 174.600 -0.551 0.000 1.154 327 S CA 0.052 57.751 58.200 -0.836 0.000 0.824 327 S CB 1.206 63.379 63.200 -1.712 0.000 1.118 327 S HN 0.668 nan 8.310 nan 0.000 0.462 328 T N 0.780 115.141 114.554 -0.321 0.000 2.737 328 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 328 T C 0.847 175.491 174.700 -0.094 0.000 1.038 328 T CA 1.880 63.894 62.100 -0.142 0.000 1.144 328 T CB -0.404 68.446 68.868 -0.030 0.000 0.866 328 T HN 0.778 nan 8.240 nan 0.000 0.434 329 Q N -1.967 117.770 119.800 -0.106 0.000 1.820 329 Q HA 0.319 4.659 4.340 -0.000 0.000 0.179 329 Q C 0.041 176.388 176.000 0.578 0.000 0.798 329 Q CA -0.652 55.334 55.803 0.305 0.000 0.887 329 Q CB -1.249 27.703 28.738 0.358 0.000 1.240 329 Q HN 0.574 nan 8.270 nan 0.000 0.394 330 W N -1.793 119.691 121.300 0.306 0.000 2.323 330 W HA -0.233 4.426 4.660 -0.000 0.000 0.261 330 W C -0.702 175.649 176.519 -0.281 0.000 1.029 330 W CA 0.875 58.234 57.345 0.024 0.000 0.499 330 W CB -1.865 27.596 29.460 0.002 0.000 2.045 330 W HN 0.437 nan 8.180 nan 0.000 1.374 331 W N 1.003 122.514 121.300 0.351 0.000 2.036 331 W HA 0.478 5.137 4.660 -0.000 0.000 0.294 331 W C 0.885 177.690 176.519 0.477 0.000 0.948 331 W CA -0.618 56.931 57.345 0.340 0.000 1.774 331 W CB -0.186 29.491 29.460 0.362 0.000 1.950 331 W HN -0.128 nan 8.180 nan 0.000 0.384 332 E N 0.814 121.283 120.200 0.450 0.000 2.472 332 E HA 0.197 4.547 4.350 -0.000 0.000 0.196 332 E C 0.347 177.029 176.600 0.137 0.000 1.033 332 E CA 0.435 57.116 56.400 0.468 0.000 0.886 332 E CB 1.050 31.005 29.700 0.426 0.000 0.944 332 E HN 0.285 nan 8.360 nan 0.000 0.492 333 I N 0.434 120.915 120.570 -0.148 0.000 2.545 333 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 333 I C -0.087 175.546 176.117 -0.807 0.000 1.040 333 I CA -0.806 60.106 61.300 -0.647 0.000 1.068 333 I CB 2.225 39.934 38.000 -0.485 0.000 1.251 333 I HN -0.127 nan 8.210 nan 0.000 0.424 334 G N 6.243 114.380 108.800 -1.106 0.000 2.481 334 G HA2 0.838 4.798 3.960 -0.000 0.000 0.315 334 G HA3 0.838 4.798 3.960 -0.000 0.000 0.315 334 G C -1.210 173.518 174.900 -0.286 0.000 1.231 334 G CA -0.463 44.314 45.100 -0.538 0.000 0.968 334 G HN 0.450 nan 8.290 nan 0.000 0.482 335 I N 0.483 120.828 120.570 -0.376 0.000 2.478 335 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 335 I C -1.241 174.668 176.117 -0.346 0.000 1.042 335 I CA -0.472 60.702 61.300 -0.210 0.000 1.067 335 I CB 2.153 40.086 38.000 -0.112 0.000 1.233 335 I HN 0.266 nan 8.210 nan 0.000 0.431 336 F N 3.425 123.418 119.950 0.071 0.000 2.469 336 F HA 0.673 5.200 4.527 -0.000 0.000 0.332 336 F C 0.434 176.263 175.800 0.048 0.000 1.103 336 F CA -0.558 57.468 58.000 0.045 0.000 0.979 336 F CB 2.265 41.299 39.000 0.057 0.000 1.137 336 F HN 0.266 nan 8.300 nan 0.000 0.463 337 T N 4.117 118.813 114.554 0.237 0.000 2.932 337 T HA 0.474 4.824 4.350 -0.000 0.000 0.318 337 T C -3.101 171.681 174.700 0.136 0.000 1.265 337 T CA -1.714 60.478 62.100 0.154 0.000 1.036 337 T CB 2.105 71.032 68.868 0.099 0.000 1.209 337 T HN 0.253 nan 8.240 nan 0.000 0.484 338 P HA 0.316 nan 4.420 nan 0.000 0.296 338 P C 0.498 177.845 177.300 0.079 0.000 1.301 338 P CA -0.412 62.746 63.100 0.097 0.000 0.862 338 P CB 1.349 33.097 31.700 0.081 0.000 1.046 339 T N -1.418 113.183 114.554 0.077 0.000 3.065 339 T HA 0.096 4.446 4.350 -0.000 0.000 0.252 339 T C 0.435 175.168 174.700 0.056 0.000 1.099 339 T CA 0.246 62.382 62.100 0.059 0.000 1.063 339 T CB -0.200 68.697 68.868 0.048 0.000 0.948 339 T HN 0.604 nan 8.240 nan 0.000 0.506 340 E N 0.258 120.496 120.200 0.064 0.000 2.416 340 E HA 0.557 4.906 4.350 -0.000 0.000 0.273 340 E C -1.895 174.737 176.600 0.052 0.000 0.935 340 E CA -1.076 55.359 56.400 0.058 0.000 0.784 340 E CB 1.092 30.832 29.700 0.068 0.000 1.301 340 E HN -0.044 nan 8.360 nan 0.000 0.454 341 D N -0.384 120.042 120.400 0.043 0.000 2.312 341 D HA 0.449 5.089 4.640 -0.000 0.000 0.248 341 D C 0.606 176.926 176.300 0.033 0.000 1.086 341 D CA 0.935 54.956 54.000 0.035 0.000 0.948 341 D CB 1.334 42.151 40.800 0.029 0.000 1.162 341 D HN 0.823 nan 8.370 nan 0.000 0.446 342 G N 0.150 108.966 108.800 0.027 0.000 2.137 342 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.237 342 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.237 342 G C -0.186 174.727 174.900 0.021 0.000 1.002 342 G CA -0.240 44.873 45.100 0.021 0.000 0.702 342 G HN 0.347 nan 8.290 nan 0.000 0.515 343 L N 0.532 121.772 121.223 0.028 0.000 2.322 343 L HA 0.506 4.846 4.340 -0.000 0.000 0.279 343 L C 1.067 177.948 176.870 0.018 0.000 1.036 343 L CA -0.426 54.430 54.840 0.027 0.000 0.807 343 L CB 1.325 43.412 42.059 0.047 0.000 1.226 343 L HN 0.248 nan 8.230 nan 0.000 0.433 344 D N 0.453 120.857 120.400 0.006 0.000 2.349 344 D HA 0.054 4.694 4.640 -0.000 0.000 0.214 344 D C 0.377 176.678 176.300 0.001 0.000 1.063 344 D CA 0.046 54.047 54.000 0.001 0.000 0.847 344 D CB 0.431 41.227 40.800 -0.007 0.000 0.933 344 D HN 0.318 nan 8.370 nan 0.000 0.513 345 R N 0.401 120.907 120.500 0.011 0.000 2.673 345 R HA 0.451 4.791 4.340 -0.000 0.000 0.281 345 R C -2.741 173.598 176.300 0.066 0.000 0.991 345 R CA -1.891 54.225 56.100 0.026 0.000 0.896 345 R CB 2.498 32.827 30.300 0.048 0.000 1.201 345 R HN -0.030 nan 8.270 nan 0.000 0.457 346 P HA 0.020 nan 4.420 nan 0.000 0.271 346 P C -0.581 176.838 177.300 0.199 0.000 1.218 346 P CA -0.053 63.131 63.100 0.141 0.000 0.780 346 P CB 0.803 32.630 31.700 0.211 0.000 0.901 347 D N 1.115 121.632 120.400 0.194 0.000 2.339 347 D HA 0.105 4.744 4.640 -0.000 0.000 0.217 347 D C 0.214 176.625 176.300 0.186 0.000 1.050 347 D CA 0.195 54.336 54.000 0.236 0.000 0.856 347 D CB -0.195 40.751 40.800 0.244 0.000 0.922 347 D HN 0.157 nan 8.370 nan 0.000 0.518 348 L N 0.210 121.528 121.223 0.159 0.000 2.436 348 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 348 L C -1.601 175.326 176.870 0.095 0.000 0.974 348 L CA -0.787 54.116 54.840 0.104 0.000 0.826 348 L CB 2.274 44.384 42.059 0.085 0.000 1.291 348 L HN 0.011 nan 8.230 nan 0.000 0.406 349 M N 5.019 124.616 119.600 -0.005 0.000 2.591 349 M HA 0.655 5.135 4.480 -0.000 0.000 0.306 349 M C -1.853 174.361 176.300 -0.144 0.000 1.190 349 M CA -0.545 54.642 55.300 -0.188 0.000 0.889 349 M CB 2.287 34.704 32.600 -0.304 0.000 1.728 349 M HN 0.747 nan 8.290 nan 0.000 0.458 350 M N 2.435 121.909 119.600 -0.210 0.000 2.395 350 M HA 0.397 4.877 4.480 -0.000 0.000 0.307 350 M C -1.663 174.616 176.300 -0.035 0.000 1.091 350 M CA -0.630 54.656 55.300 -0.023 0.000 0.919 350 M CB 2.310 34.929 32.600 0.032 0.000 1.662 350 M HN 0.707 nan 8.290 nan 0.000 0.440 351 H N 0.612 119.784 119.070 0.171 0.000 2.463 351 H HA 0.368 4.924 4.556 -0.000 0.000 0.332 351 H C -1.501 174.081 175.328 0.425 0.000 1.127 351 H CA -0.186 56.073 56.048 0.353 0.000 1.238 351 H CB 1.110 31.142 29.762 0.451 0.000 1.478 351 H HN 0.503 nan 8.280 nan 0.000 0.499 352 Y N 1.592 122.100 120.300 0.346 0.000 2.328 352 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 352 Y C -0.114 175.831 175.900 0.074 0.000 1.008 352 Y CA -0.979 57.229 58.100 0.180 0.000 1.129 352 Y CB 0.903 39.339 38.460 -0.041 0.000 1.185 352 Y HN 0.737 nan 8.280 nan 0.000 0.476 353 G N 2.438 110.676 108.800 -0.937 0.000 2.415 353 G HA2 0.367 4.327 3.960 -0.000 0.000 0.327 353 G HA3 0.367 4.327 3.960 -0.000 0.000 0.327 353 G C -0.222 173.910 174.900 -1.280 0.000 1.182 353 G CA -0.521 43.505 45.100 -1.790 0.000 0.924 353 G HN 0.847 nan 8.290 nan 0.000 0.470 354 S N -0.191 114.966 115.700 -0.905 0.000 2.660 354 S HA 0.300 4.770 4.470 -0.000 0.000 0.227 354 S C 0.597 175.147 174.600 -0.084 0.000 0.948 354 S CA 0.212 58.183 58.200 -0.381 0.000 0.948 354 S CB -0.707 62.426 63.200 -0.112 0.000 0.779 354 S HN 1.247 nan 8.310 nan 0.000 0.487 355 V N -3.699 116.093 119.914 -0.204 0.000 3.102 355 V HA 0.784 4.904 4.120 -0.000 0.000 0.312 355 V C -3.262 172.822 176.094 -0.018 0.000 1.135 355 V CA -3.017 59.228 62.300 -0.091 0.000 1.022 355 V CB 1.317 33.052 31.823 -0.147 0.000 1.056 355 V HN -0.037 nan 8.190 nan 0.000 0.436 356 P HA 0.431 nan 4.420 nan 0.000 0.276 356 P C -1.266 176.186 177.300 0.253 0.000 1.261 356 P CA -0.068 63.092 63.100 0.100 0.000 0.800 356 P CB 0.358 32.084 31.700 0.044 0.000 1.066 357 F N 1.696 121.701 119.950 0.092 0.000 2.931 357 F HA 0.238 4.764 4.527 -0.000 0.000 0.375 357 F C -0.318 175.524 175.800 0.070 0.000 1.243 357 F CA -0.831 57.257 58.000 0.146 0.000 1.206 357 F CB 0.164 39.357 39.000 0.322 0.000 1.643 357 F HN 0.129 nan 8.300 nan 0.000 0.593 358 D N 2.502 122.774 120.400 -0.213 0.000 2.388 358 D HA -0.000 4.640 4.640 -0.000 0.000 0.221 358 D C 1.995 178.115 176.300 -0.300 0.000 1.133 358 D CA 0.055 53.941 54.000 -0.190 0.000 0.831 358 D CB -0.161 40.589 40.800 -0.083 0.000 0.962 358 D HN 0.569 nan 8.370 nan 0.000 0.502 359 M N 0.431 119.699 119.600 -0.554 0.000 2.116 359 M HA -0.231 4.249 4.480 -0.000 0.000 0.255 359 M C 0.414 176.531 176.300 -0.305 0.000 1.075 359 M CA 1.660 56.681 55.300 -0.466 0.000 1.087 359 M CB 0.060 32.250 32.600 -0.685 0.000 1.340 359 M HN -0.015 nan 8.290 nan 0.000 0.402 360 N N -1.417 117.113 118.700 -0.284 0.000 2.184 360 N HA 0.077 4.817 4.740 -0.000 0.000 0.206 360 N C 1.208 176.673 175.510 -0.076 0.000 1.151 360 N CA 1.102 54.045 53.050 -0.178 0.000 0.878 360 N CB 0.517 38.902 38.487 -0.171 0.000 1.014 360 N HN 0.544 nan 8.380 nan 0.000 0.512 361 T N -1.774 112.738 114.554 -0.069 0.000 3.040 361 T HA 0.089 4.439 4.350 -0.000 0.000 0.252 361 T C 1.894 176.683 174.700 0.149 0.000 1.064 361 T CA 0.006 62.164 62.100 0.096 0.000 1.110 361 T CB -0.075 68.804 68.868 0.018 0.000 0.921 361 T HN -0.088 nan 8.240 nan 0.000 0.480 362 L N 2.700 123.913 121.223 -0.016 0.000 2.042 362 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 362 L C 2.775 179.571 176.870 -0.122 0.000 1.076 362 L CA 1.921 56.733 54.840 -0.046 0.000 0.749 362 L CB -0.559 41.445 42.059 -0.092 0.000 0.893 362 L HN 0.415 nan 8.230 nan 0.000 0.432 363 R N -2.063 118.281 120.500 -0.260 0.000 2.237 363 R HA -0.119 4.221 4.340 -0.000 0.000 0.219 363 R C 1.131 177.090 176.300 -0.568 0.000 1.080 363 R CA 1.366 57.192 56.100 -0.457 0.000 0.995 363 R CB -0.779 29.092 30.300 -0.716 0.000 0.875 363 R HN 0.491 nan 8.270 nan 0.000 0.462 364 H N -0.234 118.791 119.070 -0.076 0.000 2.529 364 H HA 0.219 4.775 4.556 -0.000 0.000 0.277 364 H C 0.937 176.159 175.328 -0.177 0.000 1.004 364 H CA 0.598 56.612 56.048 -0.057 0.000 1.167 364 H CB 1.178 30.996 29.762 0.092 0.000 1.445 364 H HN 0.603 nan 8.280 nan 0.000 0.554 365 G N 0.587 109.328 108.800 -0.098 0.000 2.175 365 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 365 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 365 G C -0.245 174.528 174.900 -0.212 0.000 0.982 365 G CA -0.401 44.595 45.100 -0.173 0.000 0.641 365 G HN 0.351 nan 8.290 nan 0.000 0.527 366 Y N 2.459 122.767 120.300 0.013 0.000 2.425 366 Y HA 0.410 4.960 4.550 -0.000 0.000 0.331 366 Y C -0.928 174.960 175.900 -0.019 0.000 1.157 366 Y CA -1.131 56.974 58.100 0.008 0.000 1.372 366 Y CB 0.516 39.001 38.460 0.041 0.000 1.253 366 Y HN 0.075 nan 8.280 nan 0.000 0.536 367 P HA 0.099 nan 4.420 nan 0.000 0.272 367 P C -0.283 177.044 177.300 0.046 0.000 1.230 367 P CA -0.226 62.901 63.100 0.045 0.000 0.788 367 P CB 1.693 33.407 31.700 0.024 0.000 0.949 368 T N -0.851 113.714 114.554 0.018 0.000 2.693 368 T HA 0.639 4.989 4.350 -0.000 0.000 0.278 368 T C -1.027 173.675 174.700 0.003 0.000 0.994 368 T CA -0.362 61.743 62.100 0.008 0.000 1.033 368 T CB 1.419 70.286 68.868 -0.002 0.000 1.342 368 T HN 0.636 nan 8.240 nan 0.000 0.538 369 T N -0.504 114.051 114.554 0.002 0.000 2.802 369 T HA 0.422 4.771 4.350 -0.000 0.000 0.311 369 T C -0.772 173.932 174.700 0.007 0.000 1.405 369 T CA -0.404 61.701 62.100 0.009 0.000 1.016 369 T CB 1.705 70.585 68.868 0.020 0.000 1.352 369 T HN 0.633 nan 8.240 nan 0.000 0.498 370 E N 0.881 121.088 120.200 0.012 0.000 2.481 370 E HA 0.181 4.531 4.350 -0.000 0.000 0.198 370 E C -0.309 176.309 176.600 0.031 0.000 1.027 370 E CA -0.047 56.357 56.400 0.007 0.000 0.900 370 E CB 0.363 30.063 29.700 0.000 0.000 0.993 370 E HN 0.376 nan 8.360 nan 0.000 0.482 371 N N 0.440 119.174 118.700 0.056 0.000 2.648 371 N HA 0.324 5.064 4.740 -0.000 0.000 0.261 371 N C -0.974 174.617 175.510 0.136 0.000 1.138 371 N CA -0.205 52.907 53.050 0.104 0.000 0.804 371 N CB 1.321 39.876 38.487 0.113 0.000 1.237 371 N HN 0.108 nan 8.380 nan 0.000 0.532 372 G N 0.754 109.644 108.800 0.150 0.000 2.548 372 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 -1.787 173.232 174.900 0.198 0.000 1.349 372 G CA -0.763 44.416 45.100 0.130 0.000 0.792 372 G HN 0.329 nan 8.290 nan 0.000 0.481 373 F N -1.422 118.628 119.950 0.167 0.000 2.643 373 F HA 0.901 5.427 4.527 -0.000 0.000 0.314 373 F C -0.384 175.521 175.800 0.175 0.000 1.096 373 F CA -1.396 56.661 58.000 0.095 0.000 0.953 373 F CB 1.830 40.949 39.000 0.199 0.000 1.345 373 F HN 0.459 nan 8.300 nan 0.000 0.468 374 S N 1.573 117.414 115.700 0.234 0.000 2.536 374 S HA 0.743 5.213 4.470 -0.000 0.000 0.287 374 S C -1.141 173.695 174.600 0.393 0.000 1.101 374 S CA -0.724 57.634 58.200 0.262 0.000 0.950 374 S CB 1.724 65.086 63.200 0.270 0.000 1.056 374 S HN 0.627 nan 8.310 nan 0.000 0.481 375 L N 2.600 124.089 121.223 0.442 0.000 2.322 375 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 375 L C -0.022 177.059 176.870 0.352 0.000 1.014 375 L CA -0.593 54.503 54.840 0.426 0.000 0.815 375 L CB 1.858 44.165 42.059 0.413 0.000 1.247 375 L HN 0.776 nan 8.230 nan 0.000 0.421 376 T N 0.078 114.844 114.554 0.354 0.000 3.060 376 T HA 0.412 4.762 4.350 -0.000 0.000 0.367 376 T C -2.570 172.247 174.700 0.195 0.000 1.229 376 T CA -2.088 60.163 62.100 0.251 0.000 1.104 376 T CB 0.878 69.842 68.868 0.160 0.000 1.083 376 T HN 0.207 nan 8.240 nan 0.000 0.524 377 P HA 0.229 nan 4.420 nan 0.000 0.271 377 P C -0.745 176.607 177.300 0.086 0.000 1.216 377 P CA -0.217 62.950 63.100 0.111 0.000 0.776 377 P CB 0.675 32.436 31.700 0.102 0.000 0.881 378 N N 0.741 119.475 118.700 0.056 0.000 2.262 378 N HA 0.348 5.088 4.740 -0.000 0.000 0.295 378 N C -1.463 174.060 175.510 0.022 0.000 1.161 378 N CA -1.055 52.012 53.050 0.028 0.000 0.767 378 N CB 1.193 39.675 38.487 -0.010 0.000 1.499 378 N HN -0.020 nan 8.380 nan 0.000 0.476 379 V N 1.595 121.542 119.914 0.054 0.000 2.385 379 V HA 0.204 4.324 4.120 -0.000 0.000 0.269 379 V C 1.503 177.654 176.094 0.095 0.000 1.043 379 V CA -0.019 62.340 62.300 0.097 0.000 0.906 379 V CB 0.248 32.156 31.823 0.142 0.000 0.995 379 V HN 1.026 nan 8.190 nan 0.000 0.467 380 T N 0.382 114.974 114.554 0.062 0.000 2.942 380 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 380 T C 0.744 175.334 174.700 -0.184 0.000 1.062 380 T CA 0.887 62.916 62.100 -0.120 0.000 1.139 380 T CB -0.083 68.760 68.868 -0.042 0.000 0.883 380 T HN 0.686 nan 8.240 nan 0.000 0.468 381 H N 1.343 120.552 119.070 0.231 0.000 2.380 381 H HA 0.658 5.213 4.556 -0.000 0.000 0.231 381 H C -0.104 175.336 175.328 0.186 0.000 1.415 381 H CA -0.852 55.316 56.048 0.200 0.000 1.433 381 H CB 0.287 30.138 29.762 0.148 0.000 1.544 381 H HN 0.462 nan 8.280 nan 0.000 0.503 382 A N 1.439 124.401 122.820 0.236 0.000 2.498 382 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 382 A C 1.231 178.892 177.584 0.128 0.000 1.068 382 A CA -0.074 52.091 52.037 0.213 0.000 0.766 382 A CB 0.512 19.590 19.000 0.130 0.000 1.003 382 A HN 0.687 nan 8.150 nan 0.000 0.497 383 R N 1.013 121.579 120.500 0.110 0.000 2.290 383 R HA 0.096 4.436 4.340 -0.000 0.000 0.197 383 R C 0.258 176.581 176.300 0.037 0.000 0.913 383 R CA 0.160 56.283 56.100 0.038 0.000 1.040 383 R CB 0.188 30.478 30.300 -0.016 0.000 0.992 383 R HN 0.676 nan 8.270 nan 0.000 0.500 384 S N 1.345 117.067 115.700 0.037 0.000 2.560 384 S HA 0.168 4.638 4.470 -0.000 0.000 0.284 384 S C 0.092 174.665 174.600 -0.045 0.000 1.327 384 S CA 0.132 58.325 58.200 -0.012 0.000 1.055 384 S CB 0.628 63.797 63.200 -0.053 0.000 0.868 384 S HN 0.109 nan 8.310 nan 0.000 0.506 385 R N 1.020 121.483 120.500 -0.062 0.000 2.574 385 R HA 0.640 4.980 4.340 -0.000 0.000 0.288 385 R C 0.273 176.500 176.300 -0.122 0.000 1.004 385 R CA -0.516 55.537 56.100 -0.078 0.000 0.895 385 R CB 1.623 31.904 30.300 -0.030 0.000 1.191 385 R HN 0.789 nan 8.270 nan 0.000 0.444 386 G N -0.087 108.614 108.800 -0.165 0.000 3.251 386 G HA2 0.688 4.648 3.960 -0.000 0.000 0.248 386 G HA3 0.688 4.648 3.960 -0.000 0.000 0.248 386 G C -0.925 173.855 174.900 -0.199 0.000 1.320 386 G CA -0.324 44.661 45.100 -0.191 0.000 0.982 386 G HN 0.544 nan 8.290 nan 0.000 0.575 387 T N -3.628 110.803 114.554 -0.204 0.000 2.868 387 T HA 0.634 4.984 4.350 -0.000 0.000 0.306 387 T C -1.524 173.050 174.700 -0.210 0.000 1.224 387 T CA -0.626 61.344 62.100 -0.217 0.000 1.012 387 T CB 1.783 70.523 68.868 -0.214 0.000 1.221 387 T HN 0.720 nan 8.240 nan 0.000 0.499 388 V N 1.676 121.459 119.914 -0.219 0.000 2.444 388 V HA 0.673 4.793 4.120 -0.000 0.000 0.294 388 V C -0.231 175.741 176.094 -0.203 0.000 1.022 388 V CA -0.782 61.392 62.300 -0.210 0.000 0.850 388 V CB 1.614 33.301 31.823 -0.227 0.000 0.992 388 V HN 0.879 nan 8.190 nan 0.000 0.426 389 R N 3.578 123.971 120.500 -0.178 0.000 2.807 389 R HA 0.647 4.987 4.340 -0.000 0.000 0.276 389 R C -1.036 175.265 176.300 0.001 0.000 0.979 389 R CA -0.992 55.009 56.100 -0.166 0.000 0.928 389 R CB 2.251 32.380 30.300 -0.285 0.000 1.191 389 R HN 0.551 nan 8.270 nan 0.000 0.471 390 L N 2.606 123.961 121.223 0.220 0.000 2.525 390 L HA 0.051 4.391 4.340 -0.000 0.000 0.278 390 L C 1.807 178.617 176.870 -0.100 0.000 1.218 390 L CA 0.472 55.292 54.840 -0.034 0.000 0.878 390 L CB 0.351 42.249 42.059 -0.269 0.000 1.127 390 L HN 0.633 nan 8.230 nan 0.000 0.492 391 R N 1.362 121.774 120.500 -0.146 0.000 2.161 391 R HA 0.002 4.342 4.340 -0.000 0.000 0.213 391 R C 0.445 176.621 176.300 -0.207 0.000 1.055 391 R CA 0.918 56.955 56.100 -0.107 0.000 0.996 391 R CB 0.421 30.692 30.300 -0.048 0.000 0.901 391 R HN 0.889 nan 8.270 nan 0.000 0.456 392 S N -1.670 113.820 115.700 -0.351 0.000 2.703 392 S HA 0.127 4.597 4.470 -0.000 0.000 0.273 392 S C -0.013 174.411 174.600 -0.293 0.000 1.178 392 S CA -1.003 57.014 58.200 -0.305 0.000 0.838 392 S CB 0.729 63.881 63.200 -0.080 0.000 1.178 392 S HN 0.315 nan 8.310 nan 0.000 0.494 393 R N 0.122 120.563 120.500 -0.099 0.000 2.319 393 R HA 0.187 4.527 4.340 -0.000 0.000 0.204 393 R C -0.473 175.831 176.300 0.007 0.000 0.954 393 R CA 0.223 56.300 56.100 -0.038 0.000 1.066 393 R CB -0.470 29.849 30.300 0.031 0.000 0.991 393 R HN 0.544 nan 8.270 nan 0.000 0.486 394 D N 1.223 121.612 120.400 -0.020 0.000 2.280 394 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 394 D C 0.836 177.120 176.300 -0.026 0.000 1.082 394 D CA -1.085 52.911 54.000 -0.007 0.000 0.834 394 D CB 0.750 41.499 40.800 -0.084 0.000 1.100 394 D HN 0.204 nan 8.370 nan 0.000 0.486 395 F N 3.173 123.105 119.950 -0.031 0.000 2.333 395 F HA 0.007 4.534 4.527 -0.000 0.000 0.300 395 F C 1.597 177.394 175.800 -0.004 0.000 1.083 395 F CA 0.466 58.452 58.000 -0.023 0.000 1.395 395 F CB -0.182 38.812 39.000 -0.009 0.000 1.056 395 F HN 0.197 nan 8.300 nan 0.000 0.529 396 R N 0.352 120.375 120.500 -0.795 0.000 2.276 396 R HA 0.016 4.356 4.340 -0.000 0.000 0.203 396 R C -0.314 175.859 176.300 -0.212 0.000 1.017 396 R CA 0.394 56.152 56.100 -0.570 0.000 1.010 396 R CB -0.357 29.512 30.300 -0.718 0.000 0.900 396 R HN 0.232 nan 8.270 nan 0.000 0.469 397 D N 1.835 122.141 120.400 -0.156 0.000 2.312 397 D HA 0.078 4.718 4.640 -0.000 0.000 0.252 397 D C -0.220 176.074 176.300 -0.011 0.000 1.150 397 D CA 0.090 54.049 54.000 -0.069 0.000 0.870 397 D CB 0.997 41.753 40.800 -0.074 0.000 1.153 397 D HN -0.074 nan 8.370 nan 0.000 0.457 398 K N 3.147 123.583 120.400 0.060 0.000 2.440 398 K HA 0.120 4.440 4.320 -0.000 0.000 0.270 398 K C -2.091 174.520 176.600 0.018 0.000 0.980 398 K CA -0.927 55.444 56.287 0.140 0.000 0.953 398 K CB 0.074 32.735 32.500 0.267 0.000 0.925 398 K HN 0.251 nan 8.250 nan 0.000 0.497 399 P HA 0.070 nan 4.420 nan 0.000 0.276 399 P C -0.670 176.577 177.300 -0.089 0.000 1.252 399 P CA -0.204 62.817 63.100 -0.131 0.000 0.802 399 P CB 0.500 32.051 31.700 -0.248 0.000 1.035 400 M N 0.822 120.376 119.600 -0.077 0.000 2.135 400 M HA 0.217 4.696 4.480 -0.000 0.000 0.345 400 M C -0.639 175.603 176.300 -0.097 0.000 1.340 400 M CA -0.323 54.943 55.300 -0.056 0.000 1.162 400 M CB 0.330 32.909 32.600 -0.035 0.000 1.570 400 M HN -0.015 nan 8.290 nan 0.000 0.454 401 V N 2.830 122.699 119.914 -0.075 0.000 2.328 401 V HA 0.266 4.386 4.120 -0.000 0.000 0.278 401 V C -0.543 175.516 176.094 -0.060 0.000 1.021 401 V CA -0.442 61.800 62.300 -0.096 0.000 0.838 401 V CB 1.386 33.171 31.823 -0.063 0.000 0.999 401 V HN 0.662 nan 8.190 nan 0.000 0.447 402 D N 6.854 127.187 120.400 -0.112 0.000 2.408 402 D HA 0.424 5.064 4.640 -0.000 0.000 0.261 402 D C -2.076 174.105 176.300 -0.197 0.000 1.190 402 D CA -1.939 51.994 54.000 -0.111 0.000 0.910 402 D CB 2.467 43.210 40.800 -0.094 0.000 1.097 402 D HN 0.177 nan 8.370 nan 0.000 0.522 403 P HA 0.045 nan 4.420 nan 0.000 0.229 403 P C -0.282 176.708 177.300 -0.517 0.000 1.160 403 P CA 0.248 63.013 63.100 -0.558 0.000 0.777 403 P CB 0.192 31.168 31.700 -1.206 0.000 0.814 404 R N -2.647 117.656 120.500 -0.328 0.000 3.333 404 R HA -0.200 4.140 4.340 -0.000 0.000 0.256 404 R C -0.540 175.671 176.300 -0.148 0.000 1.010 404 R CA -0.046 55.958 56.100 -0.160 0.000 0.680 404 R CB -3.009 27.224 30.300 -0.113 0.000 1.102 404 R HN 0.330 nan 8.270 nan 0.000 0.440 405 Y N 0.528 120.784 120.300 -0.073 0.000 2.904 405 Y HA -0.172 4.378 4.550 -0.000 0.000 0.336 405 Y C 1.316 177.120 175.900 -0.159 0.000 1.263 405 Y CA 0.780 58.697 58.100 -0.306 0.000 1.547 405 Y CB 0.106 38.353 38.460 -0.355 0.000 1.272 405 Y HN 0.199 nan 8.280 nan 0.000 0.596 406 F N 0.194 120.230 119.950 0.143 0.000 3.091 406 F HA -0.298 4.229 4.527 -0.000 0.000 0.288 406 F C 1.130 176.973 175.800 0.071 0.000 0.907 406 F CA 1.040 59.087 58.000 0.077 0.000 1.028 406 F CB -2.283 36.736 39.000 0.031 0.000 1.022 406 F HN 0.630 nan 8.300 nan 0.000 0.665 407 T N -4.082 110.564 114.554 0.153 0.000 2.985 407 T HA 0.060 4.410 4.350 -0.000 0.000 0.254 407 T C 0.521 175.274 174.700 0.089 0.000 1.021 407 T CA 0.192 62.358 62.100 0.110 0.000 0.957 407 T CB 0.047 68.950 68.868 0.060 0.000 1.047 407 T HN 0.506 nan 8.240 nan 0.000 0.511 408 D N 3.586 124.043 120.400 0.095 0.000 2.583 408 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 408 D C -1.374 174.983 176.300 0.095 0.000 1.128 408 D CA -0.815 53.238 54.000 0.088 0.000 0.859 408 D CB 1.240 42.104 40.800 0.108 0.000 1.169 408 D HN 0.140 nan 8.370 nan 0.000 0.481 409 P HA -0.134 nan 4.420 nan 0.000 0.221 409 P C 0.701 178.045 177.300 0.073 0.000 1.150 409 P CA 0.991 64.129 63.100 0.064 0.000 0.800 409 P CB 0.205 31.933 31.700 0.046 0.000 0.787 410 E N -0.577 119.675 120.200 0.088 0.000 2.482 410 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 410 E C 1.284 177.956 176.600 0.119 0.000 1.047 410 E CA 0.450 56.910 56.400 0.099 0.000 0.869 410 E CB -0.615 29.150 29.700 0.109 0.000 0.836 410 E HN 0.227 nan 8.360 nan 0.000 0.520 411 G N 1.619 110.499 108.800 0.134 0.000 2.179 411 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 411 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 411 G C 0.681 175.674 174.900 0.155 0.000 1.010 411 G CA 0.728 45.908 45.100 0.134 0.000 0.736 411 G HN 0.522 nan 8.290 nan 0.000 0.513 412 H N 0.571 119.704 119.070 0.104 0.000 2.293 412 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 412 H C 2.037 177.450 175.328 0.142 0.000 1.082 412 H CA 2.072 58.185 56.048 0.108 0.000 1.308 412 H CB 0.099 29.921 29.762 0.100 0.000 1.375 412 H HN 0.421 nan 8.280 nan 0.000 0.495 413 D N 0.470 121.009 120.400 0.231 0.000 2.117 413 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 413 D C 2.361 178.834 176.300 0.288 0.000 0.987 413 D CA 1.034 55.176 54.000 0.237 0.000 0.829 413 D CB -0.418 40.551 40.800 0.282 0.000 0.961 413 D HN 0.332 nan 8.370 nan 0.000 0.460 414 M N 0.648 120.435 119.600 0.311 0.000 2.117 414 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 414 M C 1.970 178.263 176.300 -0.010 0.000 1.065 414 M CA 1.395 56.734 55.300 0.065 0.000 1.114 414 M CB -0.142 32.451 32.600 -0.011 0.000 1.361 414 M HN -0.156 nan 8.290 nan 0.000 0.408 415 R N -0.759 119.735 120.500 -0.010 0.000 2.073 415 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 415 R C 1.839 178.104 176.300 -0.057 0.000 1.134 415 R CA 1.986 58.065 56.100 -0.036 0.000 0.952 415 R CB -0.528 29.752 30.300 -0.034 0.000 0.850 415 R HN 0.344 nan 8.270 nan 0.000 0.433 416 V N 1.208 121.045 119.914 -0.128 0.000 2.343 416 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 416 V C 2.400 178.489 176.094 -0.008 0.000 1.051 416 V CA 1.879 64.121 62.300 -0.096 0.000 1.036 416 V CB -0.404 31.313 31.823 -0.177 0.000 0.654 416 V HN 0.402 nan 8.190 nan 0.000 0.451 417 M N -0.162 119.455 119.600 0.027 0.000 2.132 417 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 417 M C 1.980 178.293 176.300 0.022 0.000 1.065 417 M CA 1.772 57.105 55.300 0.054 0.000 1.122 417 M CB -0.497 32.153 32.600 0.083 0.000 1.365 417 M HN 0.124 nan 8.290 nan 0.000 0.411 418 V N 0.492 120.401 119.914 -0.009 0.000 2.287 418 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 418 V C 2.563 178.667 176.094 0.016 0.000 1.053 418 V CA 1.976 64.275 62.300 -0.001 0.000 1.027 418 V CB -1.707 30.107 31.823 -0.016 0.000 0.646 418 V HN 0.643 nan 8.190 nan 0.000 0.447 419 A N 0.348 123.176 122.820 0.014 0.000 1.933 419 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 419 A C 2.412 180.019 177.584 0.038 0.000 1.175 419 A CA 1.883 53.934 52.037 0.024 0.000 0.628 419 A CB -1.171 17.840 19.000 0.019 0.000 0.814 419 A HN 0.546 nan 8.150 nan 0.000 0.444 420 G N 0.012 108.839 108.800 0.044 0.000 2.418 420 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.217 420 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.217 420 G C 1.514 176.460 174.900 0.076 0.000 1.158 420 G CA 1.154 46.291 45.100 0.062 0.000 0.771 420 G HN 0.485 nan 8.290 nan 0.000 0.545 421 I N 0.038 120.650 120.570 0.070 0.000 2.252 421 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 421 I C 3.021 179.175 176.117 0.061 0.000 1.102 421 I CA 0.782 62.124 61.300 0.070 0.000 1.385 421 I CB -0.150 37.882 38.000 0.054 0.000 1.064 421 I HN 0.070 nan 8.210 nan 0.000 0.414 422 R N 0.554 121.082 120.500 0.046 0.000 2.096 422 R HA -0.210 4.129 4.340 -0.000 0.000 0.235 422 R C 2.270 178.607 176.300 0.062 0.000 1.127 422 R CA 1.218 57.346 56.100 0.046 0.000 0.968 422 R CB -0.307 30.013 30.300 0.032 0.000 0.861 422 R HN 0.115 nan 8.270 nan 0.000 0.440 423 K N 1.139 121.578 120.400 0.064 0.000 2.057 423 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 423 K C 1.901 178.553 176.600 0.087 0.000 1.050 423 K CA 1.614 57.940 56.287 0.065 0.000 0.935 423 K CB -0.388 32.148 32.500 0.059 0.000 0.715 423 K HN 0.123 nan 8.250 nan 0.000 0.439 424 A N 0.829 123.718 122.820 0.115 0.000 1.908 424 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 424 A C 2.204 179.916 177.584 0.214 0.000 1.181 424 A CA 1.840 53.981 52.037 0.172 0.000 0.627 424 A CB -0.516 18.613 19.000 0.215 0.000 0.818 424 A HN 0.359 nan 8.150 nan 0.000 0.445 425 R N -0.883 119.737 120.500 0.200 0.000 2.081 425 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 425 R C 2.350 178.732 176.300 0.137 0.000 1.131 425 R CA 1.478 57.713 56.100 0.225 0.000 0.960 425 R CB -0.286 30.103 30.300 0.147 0.000 0.856 425 R HN 0.787 nan 8.270 nan 0.000 0.436 426 E N 0.803 121.057 120.200 0.090 0.000 2.085 426 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 426 E C 1.888 178.509 176.600 0.035 0.000 0.994 426 E CA 1.274 57.707 56.400 0.055 0.000 0.801 426 E CB -0.009 29.717 29.700 0.043 0.000 0.743 426 E HN 0.303 nan 8.360 nan 0.000 0.453 427 I N 0.746 121.336 120.570 0.034 0.000 2.202 427 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 427 I C 2.550 178.646 176.117 -0.034 0.000 1.091 427 I CA 0.970 62.268 61.300 -0.003 0.000 1.368 427 I CB -0.307 37.691 38.000 -0.003 0.000 1.058 427 I HN 0.144 nan 8.210 nan 0.000 0.410 428 A N 0.564 123.367 122.820 -0.028 0.000 2.070 428 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 428 A C 2.298 179.815 177.584 -0.111 0.000 1.159 428 A CA 1.607 53.561 52.037 -0.140 0.000 0.656 428 A CB -0.555 18.216 19.000 -0.381 0.000 0.800 428 A HN 0.443 nan 8.150 nan 0.000 0.453 429 A N -1.198 121.605 122.820 -0.029 0.000 2.275 429 A HA 0.204 4.524 4.320 -0.000 0.000 0.212 429 A C 0.981 178.562 177.584 -0.004 0.000 1.201 429 A CA -0.140 51.897 52.037 0.000 0.000 0.843 429 A CB -0.077 18.944 19.000 0.035 0.000 0.873 429 A HN 0.469 nan 8.150 nan 0.000 0.492 430 Q N -0.090 119.700 119.800 -0.017 0.000 2.454 430 Q HA 0.107 4.447 4.340 -0.000 0.000 0.247 430 Q C -1.645 174.347 176.000 -0.013 0.000 1.028 430 Q CA -1.595 54.198 55.803 -0.016 0.000 0.910 430 Q CB -0.047 28.675 28.738 -0.027 0.000 1.276 430 Q HN 0.105 nan 8.270 nan 0.000 0.489 431 P HA -0.119 nan 4.420 nan 0.000 0.219 431 P C 0.630 177.928 177.300 -0.004 0.000 1.146 431 P CA 1.688 64.785 63.100 -0.006 0.000 0.808 431 P CB 0.140 31.837 31.700 -0.006 0.000 0.779 432 A N -1.213 121.600 122.820 -0.011 0.000 2.066 432 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 432 A C 1.902 179.500 177.584 0.023 0.000 1.157 432 A CA 1.203 53.238 52.037 -0.005 0.000 0.670 432 A CB -0.991 17.991 19.000 -0.030 0.000 0.804 432 A HN 0.065 nan 8.150 nan 0.000 0.453 433 M N -0.851 118.753 119.600 0.008 0.000 2.495 433 M HA 0.190 4.670 4.480 -0.000 0.000 0.237 433 M C 2.059 178.408 176.300 0.082 0.000 1.131 433 M CA 0.710 56.041 55.300 0.052 0.000 1.032 433 M CB -0.757 31.813 32.600 -0.050 0.000 1.513 433 M HN 0.469 nan 8.290 nan 0.000 0.488 434 A N 1.416 124.256 122.820 0.033 0.000 1.972 434 A HA -0.177 4.142 4.320 -0.000 0.000 0.219 434 A C 1.934 179.499 177.584 -0.031 0.000 1.169 434 A CA 1.821 53.862 52.037 0.007 0.000 0.635 434 A CB -0.597 18.400 19.000 -0.006 0.000 0.810 434 A HN 0.690 nan 8.150 nan 0.000 0.446 435 E N -2.358 117.786 120.200 -0.093 0.000 2.502 435 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 435 E C 1.284 177.580 176.600 -0.506 0.000 1.062 435 E CA 0.357 56.587 56.400 -0.284 0.000 0.867 435 E CB -0.206 29.275 29.700 -0.365 0.000 0.888 435 E HN 0.831 nan 8.360 nan 0.000 0.510 436 W N 1.156 122.450 121.300 -0.009 0.000 2.798 436 W HA 0.186 4.846 4.660 -0.000 0.000 0.260 436 W C 0.536 177.154 176.519 0.166 0.000 1.165 436 W CA 0.011 57.374 57.345 0.029 0.000 1.501 436 W CB 0.151 29.535 29.460 -0.127 0.000 1.023 436 W HN -0.231 nan 8.180 nan 0.000 0.615 437 T N 1.445 116.184 114.554 0.309 0.000 2.738 437 T HA 0.424 4.773 4.350 -0.000 0.000 0.293 437 T C 0.627 175.444 174.700 0.194 0.000 0.913 437 T CA 0.182 62.448 62.100 0.277 0.000 1.103 437 T CB 0.532 69.430 68.868 0.051 0.000 0.880 437 T HN 0.122 nan 8.240 nan 0.000 0.526 438 G N 2.199 111.140 108.800 0.235 0.000 2.695 438 G HA2 0.419 4.379 3.960 -0.000 0.000 0.213 438 G HA3 0.419 4.379 3.960 -0.000 0.000 0.213 438 G C -0.087 174.936 174.900 0.204 0.000 1.406 438 G CA -0.882 44.321 45.100 0.172 0.000 1.049 438 G HN 0.686 nan 8.290 nan 0.000 0.573 439 R N 0.619 121.206 120.500 0.145 0.000 2.623 439 R HA 0.073 4.413 4.340 -0.000 0.000 0.271 439 R C -0.064 176.312 176.300 0.126 0.000 1.043 439 R CA -0.007 56.166 56.100 0.123 0.000 1.083 439 R CB 0.314 30.651 30.300 0.061 0.000 0.974 439 R HN 0.546 nan 8.270 nan 0.000 0.436 440 E N 4.637 124.878 120.200 0.069 0.000 2.166 440 E HA -0.010 4.340 4.350 -0.000 0.000 0.279 440 E C 0.472 176.948 176.600 -0.206 0.000 1.095 440 E CA -0.129 56.130 56.400 -0.234 0.000 0.888 440 E CB 0.626 30.169 29.700 -0.263 0.000 1.041 440 E HN 0.643 nan 8.360 nan 0.000 0.414 441 L N 3.124 124.201 121.223 -0.244 0.000 2.202 441 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 441 L C 0.870 177.687 176.870 -0.088 0.000 1.083 441 L CA 0.307 55.083 54.840 -0.107 0.000 0.790 441 L CB 0.021 42.032 42.059 -0.080 0.000 0.942 441 L HN 0.434 nan 8.230 nan 0.000 0.452 442 S N -2.386 113.158 115.700 -0.260 0.000 2.533 442 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 442 S C -2.412 171.844 174.600 -0.574 0.000 1.143 442 S CA -1.116 56.843 58.200 -0.403 0.000 0.891 442 S CB 1.891 64.831 63.200 -0.433 0.000 1.105 442 S HN -0.211 nan 8.310 nan 0.000 0.468 443 P HA 0.182 nan 4.420 nan 0.000 0.230 443 P C 0.906 178.008 177.300 -0.331 0.000 1.158 443 P CA 1.402 63.851 63.100 -1.086 0.000 0.769 443 P CB -0.667 30.205 31.700 -1.380 0.000 0.807 444 G N 0.031 108.666 108.800 -0.275 0.000 2.719 444 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 444 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 444 G C 0.528 175.367 174.900 -0.102 0.000 1.201 444 G CA -0.437 44.591 45.100 -0.120 0.000 0.768 444 G HN 0.131 nan 8.290 nan 0.000 0.629 445 V N -0.932 118.949 119.914 -0.056 0.000 2.720 445 V HA -0.017 4.103 4.120 -0.000 0.000 0.256 445 V C 2.169 178.248 176.094 -0.026 0.000 1.082 445 V CA 2.775 65.056 62.300 -0.031 0.000 1.101 445 V CB -0.414 31.410 31.823 0.000 0.000 0.693 445 V HN 1.004 nan 8.190 nan 0.000 0.479 446 E N 1.635 121.821 120.200 -0.023 0.000 2.204 446 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 446 E C 1.208 177.796 176.600 -0.020 0.000 0.990 446 E CA 0.822 57.214 56.400 -0.014 0.000 0.821 446 E CB -0.226 29.469 29.700 -0.008 0.000 0.750 446 E HN 0.815 nan 8.360 nan 0.000 0.477 447 A N 0.776 123.572 122.820 -0.041 0.000 2.310 447 A HA 0.193 4.512 4.320 -0.000 0.000 0.300 447 A C 0.296 177.851 177.584 -0.049 0.000 1.269 447 A CA -0.426 51.581 52.037 -0.050 0.000 0.909 447 A CB 1.070 20.009 19.000 -0.101 0.000 1.144 447 A HN 0.182 nan 8.150 nan 0.000 0.540 448 Q N 0.672 120.457 119.800 -0.025 0.000 2.445 448 Q HA 0.108 4.448 4.340 -0.000 0.000 0.257 448 Q C 1.022 177.017 176.000 -0.008 0.000 0.806 448 Q CA 1.395 57.188 55.803 -0.016 0.000 0.987 448 Q CB 0.524 29.258 28.738 -0.008 0.000 1.248 448 Q HN 0.843 nan 8.270 nan 0.000 0.542 449 T N -1.393 113.158 114.554 -0.004 0.000 2.847 449 T HA 0.226 4.576 4.350 -0.000 0.000 0.279 449 T C 0.542 175.242 174.700 -0.000 0.000 0.984 449 T CA -0.277 61.823 62.100 0.000 0.000 0.988 449 T CB 0.723 69.593 68.868 0.003 0.000 1.040 449 T HN -0.112 nan 8.240 nan 0.000 0.528 450 D N -0.130 120.271 120.400 0.001 0.000 2.149 450 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 450 D C 1.871 178.170 176.300 -0.003 0.000 0.990 450 D CA 1.406 55.405 54.000 -0.002 0.000 0.839 450 D CB -0.174 40.626 40.800 0.000 0.000 0.948 450 D HN 0.875 nan 8.370 nan 0.000 0.460 451 E N 0.607 120.808 120.200 0.001 0.000 2.047 451 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 451 E C 1.700 178.306 176.600 0.009 0.000 0.987 451 E CA 0.963 57.365 56.400 0.003 0.000 0.799 451 E CB 0.107 29.811 29.700 0.007 0.000 0.752 451 E HN 0.302 nan 8.360 nan 0.000 0.449 452 E N 0.448 120.656 120.200 0.013 0.000 2.077 452 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 452 E C 2.296 178.922 176.600 0.045 0.000 0.989 452 E CA 1.089 57.504 56.400 0.025 0.000 0.800 452 E CB -0.056 29.652 29.700 0.013 0.000 0.746 452 E HN 0.336 nan 8.360 nan 0.000 0.452 453 L N 0.720 121.957 121.223 0.024 0.000 2.093 453 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 453 L C 2.476 179.376 176.870 0.049 0.000 1.085 453 L CA 1.103 55.971 54.840 0.046 0.000 0.755 453 L CB -0.337 41.728 42.059 0.011 0.000 0.904 453 L HN 0.149 nan 8.230 nan 0.000 0.435 454 Q N -0.076 119.718 119.800 -0.010 0.000 2.084 454 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 454 Q C 1.787 177.750 176.000 -0.062 0.000 0.978 454 Q CA 1.575 57.334 55.803 -0.073 0.000 0.844 454 Q CB -0.086 28.610 28.738 -0.070 0.000 0.898 454 Q HN 0.453 nan 8.270 nan 0.000 0.426 455 D N -0.001 120.396 120.400 -0.005 0.000 2.104 455 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 455 D C 1.588 177.892 176.300 0.007 0.000 0.994 455 D CA 1.115 55.117 54.000 0.004 0.000 0.830 455 D CB -0.526 40.292 40.800 0.030 0.000 0.959 455 D HN 0.296 nan 8.370 nan 0.000 0.452 456 Y N 1.094 121.356 120.300 -0.064 0.000 2.114 456 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 456 Y C 2.216 178.049 175.900 -0.110 0.000 1.165 456 Y CA 1.500 59.553 58.100 -0.077 0.000 1.148 456 Y CB -0.288 38.124 38.460 -0.079 0.000 0.972 456 Y HN -0.083 nan 8.280 nan 0.000 0.504 457 I N 0.004 120.453 120.570 -0.202 0.000 2.202 457 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 457 I C 2.709 178.700 176.117 -0.211 0.000 1.091 457 I CA 1.531 62.651 61.300 -0.299 0.000 1.368 457 I CB -0.428 37.392 38.000 -0.301 0.000 1.058 457 I HN 0.150 nan 8.210 nan 0.000 0.410 458 R N 1.329 121.719 120.500 -0.184 0.000 2.103 458 R HA -0.234 4.106 4.340 -0.000 0.000 0.242 458 R C 2.186 178.488 176.300 0.003 0.000 1.142 458 R CA 1.831 57.919 56.100 -0.020 0.000 0.960 458 R CB -0.065 30.211 30.300 -0.039 0.000 0.858 458 R HN 0.249 nan 8.270 nan 0.000 0.439 459 K N -1.285 119.014 120.400 -0.169 0.000 2.116 459 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 459 K C 1.634 178.058 176.600 -0.292 0.000 1.052 459 K CA 1.682 57.791 56.287 -0.298 0.000 0.952 459 K CB 0.327 32.472 32.500 -0.593 0.000 0.729 459 K HN 0.410 nan 8.250 nan 0.000 0.446 460 T N -2.174 112.144 114.554 -0.392 0.000 3.003 460 T HA 0.045 4.395 4.350 -0.000 0.000 0.261 460 T C 0.398 174.909 174.700 -0.315 0.000 1.003 460 T CA -0.532 61.330 62.100 -0.396 0.000 0.917 460 T CB -0.378 68.046 68.868 -0.738 0.000 1.084 460 T HN 0.273 nan 8.240 nan 0.000 0.522 461 H N 1.375 120.306 119.070 -0.232 0.000 2.836 461 H HA 0.636 5.192 4.556 -0.000 0.000 0.368 461 H C 0.380 175.627 175.328 -0.134 0.000 1.164 461 H CA -0.206 55.754 56.048 -0.147 0.000 1.425 461 H CB 0.257 30.003 29.762 -0.028 0.000 1.414 461 H HN 0.148 nan 8.280 nan 0.000 0.614 462 N N -0.812 117.875 118.700 -0.021 0.000 3.178 462 N HA 0.363 5.103 4.740 -0.000 0.000 0.352 462 N C -1.087 174.311 175.510 -0.186 0.000 1.423 462 N CA -0.173 52.794 53.050 -0.137 0.000 0.698 462 N CB 1.825 40.300 38.487 -0.020 0.000 1.400 462 N HN 0.830 nan 8.380 nan 0.000 0.586 463 T N -1.495 112.817 114.554 -0.403 0.000 2.907 463 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 463 T C 0.054 174.358 174.700 -0.659 0.000 1.043 463 T CA -0.244 61.571 62.100 -0.475 0.000 1.003 463 T CB 1.041 69.609 68.868 -0.499 0.000 1.084 463 T HN 0.451 nan 8.240 nan 0.000 0.483 464 A N 2.425 124.943 122.820 -0.504 0.000 2.235 464 A HA 0.289 4.609 4.320 -0.000 0.000 0.208 464 A C 0.207 177.423 177.584 -0.614 0.000 1.172 464 A CA 0.454 52.100 52.037 -0.651 0.000 0.786 464 A CB -0.958 17.612 19.000 -0.716 0.000 0.804 464 A HN 1.123 nan 8.150 nan 0.000 0.479 465 Y N -1.793 118.395 120.300 -0.188 0.000 3.755 465 Y HA -0.219 4.331 4.550 -0.000 0.000 0.230 465 Y C 0.282 176.369 175.900 0.313 0.000 1.363 465 Y CA 0.934 59.105 58.100 0.117 0.000 1.814 465 Y CB -2.930 35.619 38.460 0.149 0.000 1.574 465 Y HN 0.704 nan 8.280 nan 0.000 0.650 466 H N -0.412 118.848 119.070 0.316 0.000 2.500 466 H HA 0.232 4.788 4.556 -0.000 0.000 0.243 466 H C -2.321 173.125 175.328 0.197 0.000 1.318 466 H CA -2.030 54.182 56.048 0.274 0.000 1.077 466 H CB 0.628 30.576 29.762 0.310 0.000 1.748 466 H HN 0.035 nan 8.280 nan 0.000 0.556 467 P HA 0.020 nan 4.420 nan 0.000 0.276 467 P C -0.002 177.217 177.300 -0.135 0.000 1.230 467 P CA 0.058 63.151 63.100 -0.012 0.000 0.776 467 P CB 1.984 33.548 31.700 -0.225 0.000 0.888 468 V N -1.416 118.339 119.914 -0.264 0.000 3.181 468 V HA 0.878 4.998 4.120 -0.000 0.000 0.308 468 V C 0.684 176.594 176.094 -0.306 0.000 1.214 468 V CA -0.232 61.860 62.300 -0.348 0.000 1.053 468 V CB 1.064 32.524 31.823 -0.606 0.000 1.069 468 V HN 0.760 nan 8.190 nan 0.000 0.441 469 G N 0.938 109.559 108.800 -0.298 0.000 2.157 469 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 469 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 469 G C 0.674 175.460 174.900 -0.189 0.000 0.979 469 G CA 1.092 46.022 45.100 -0.284 0.000 0.650 469 G HN 2.138 nan 8.290 nan 0.000 0.529 470 T N -2.199 112.246 114.554 -0.182 0.000 3.113 470 T HA 0.421 4.771 4.350 -0.000 0.000 0.256 470 T C 0.757 175.376 174.700 -0.135 0.000 1.131 470 T CA 0.951 62.956 62.100 -0.159 0.000 1.074 470 T CB 0.719 69.475 68.868 -0.185 0.000 0.944 470 T HN 0.880 nan 8.240 nan 0.000 0.516 471 V N 2.738 122.568 119.914 -0.140 0.000 2.462 471 V HA 0.342 4.462 4.120 -0.000 0.000 0.257 471 V C 0.115 176.117 176.094 -0.154 0.000 0.944 471 V CA -1.344 60.884 62.300 -0.120 0.000 0.903 471 V CB 0.063 31.820 31.823 -0.111 0.000 1.128 471 V HN 0.526 nan 8.190 nan 0.000 0.486 472 R N 2.531 122.940 120.500 -0.152 0.000 2.531 472 R HA 0.742 5.082 4.340 -0.000 0.000 0.273 472 R C 0.198 176.345 176.300 -0.254 0.000 1.070 472 R CA -0.669 55.272 56.100 -0.265 0.000 1.112 472 R CB 1.067 31.178 30.300 -0.315 0.000 1.049 472 R HN 0.591 nan 8.270 nan 0.000 0.508 473 M N 0.604 119.993 119.600 -0.352 0.000 2.241 473 M HA 0.610 5.090 4.480 -0.000 0.000 0.335 473 M C -0.199 175.947 176.300 -0.257 0.000 1.122 473 M CA 0.205 55.321 55.300 -0.306 0.000 1.164 473 M CB 1.521 33.851 32.600 -0.451 0.000 1.459 473 M HN 0.859 nan 8.290 nan 0.000 0.461 474 G N 0.669 109.380 108.800 -0.148 0.000 2.494 474 G HA2 0.611 4.570 3.960 -0.000 0.000 0.308 474 G HA3 0.611 4.570 3.960 -0.000 0.000 0.308 474 G C -1.748 173.136 174.900 -0.025 0.000 1.263 474 G CA -0.549 44.500 45.100 -0.085 0.000 0.840 474 G HN 1.078 nan 8.290 nan 0.000 0.479 475 A N -0.458 122.358 122.820 -0.006 0.000 2.483 475 A HA 0.491 4.811 4.320 -0.000 0.000 0.238 475 A C 1.783 179.370 177.584 0.004 0.000 1.070 475 A CA 0.460 52.504 52.037 0.011 0.000 0.770 475 A CB 0.517 19.524 19.000 0.011 0.000 1.008 475 A HN 1.384 nan 8.150 nan 0.000 0.497 476 V N 1.791 121.714 119.914 0.015 0.000 2.313 476 V HA -0.277 3.843 4.120 -0.000 0.000 0.253 476 V C 2.092 178.188 176.094 0.003 0.000 1.070 476 V CA 2.622 64.928 62.300 0.011 0.000 1.057 476 V CB -0.819 31.015 31.823 0.018 0.000 0.653 476 V HN 0.953 nan 8.190 nan 0.000 0.450 477 E N -0.852 119.349 120.200 0.002 0.000 2.479 477 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 477 E C 0.423 177.020 176.600 -0.005 0.000 1.049 477 E CA -0.153 56.246 56.400 -0.001 0.000 0.870 477 E CB 0.088 29.788 29.700 0.000 0.000 0.944 477 E HN 0.523 nan 8.360 nan 0.000 0.492 478 D N 1.622 122.017 120.400 -0.008 0.000 2.338 478 D HA -0.012 4.628 4.640 -0.000 0.000 0.255 478 D C 0.741 177.033 176.300 -0.014 0.000 1.237 478 D CA 0.269 54.262 54.000 -0.013 0.000 0.883 478 D CB 0.783 41.570 40.800 -0.022 0.000 1.087 478 D HN -0.049 nan 8.370 nan 0.000 0.485 479 E N 2.726 122.921 120.200 -0.009 0.000 2.153 479 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 479 E C 1.246 177.846 176.600 0.001 0.000 0.988 479 E CA 0.730 57.126 56.400 -0.007 0.000 0.811 479 E CB 0.162 29.858 29.700 -0.006 0.000 0.746 479 E HN 0.597 nan 8.360 nan 0.000 0.466 480 M N 0.190 119.798 119.600 0.014 0.000 2.618 480 M HA 0.076 4.556 4.480 -0.000 0.000 0.240 480 M C 0.305 176.644 176.300 0.065 0.000 1.123 480 M CA 0.482 55.820 55.300 0.063 0.000 1.060 480 M CB 0.259 32.921 32.600 0.104 0.000 1.535 480 M HN -0.243 nan 8.290 nan 0.000 0.507 481 S N 1.687 117.381 115.700 -0.009 0.000 2.448 481 S HA 0.317 4.787 4.470 -0.000 0.000 0.320 481 S C -1.653 172.922 174.600 -0.042 0.000 1.071 481 S CA -1.025 57.146 58.200 -0.048 0.000 1.113 481 S CB 1.539 64.690 63.200 -0.082 0.000 0.972 481 S HN 0.069 nan 8.310 nan 0.000 0.465 482 P HA 0.084 nan 4.420 nan 0.000 0.229 482 P C -0.343 176.930 177.300 -0.046 0.000 1.160 482 P CA 0.677 63.752 63.100 -0.042 0.000 0.777 482 P CB 0.152 31.824 31.700 -0.047 0.000 0.814 483 L N 0.153 121.337 121.223 -0.066 0.000 2.346 483 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 483 L C 0.449 177.291 176.870 -0.047 0.000 1.007 483 L CA -1.306 53.501 54.840 -0.057 0.000 0.818 483 L CB 1.401 43.408 42.059 -0.087 0.000 1.284 483 L HN -0.131 nan 8.230 nan 0.000 0.424 484 D N 1.764 122.158 120.400 -0.010 0.000 2.433 484 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 484 D C -2.245 174.078 176.300 0.038 0.000 1.226 484 D CA -2.047 51.961 54.000 0.013 0.000 1.015 484 D CB 0.286 41.105 40.800 0.032 0.000 1.091 484 D HN 0.162 nan 8.370 nan 0.000 0.527 485 P HA 0.043 nan 4.420 nan 0.000 0.242 485 P C 0.078 177.595 177.300 0.362 0.000 1.197 485 P CA 0.756 63.981 63.100 0.208 0.000 0.765 485 P CB 0.130 31.976 31.700 0.244 0.000 0.936 486 E N -0.590 119.740 120.200 0.217 0.000 2.476 486 E HA 0.233 4.583 4.350 -0.000 0.000 0.196 486 E C 0.388 177.096 176.600 0.181 0.000 1.029 486 E CA -0.059 56.469 56.400 0.213 0.000 0.896 486 E CB 0.012 29.787 29.700 0.125 0.000 1.012 486 E HN 0.052 nan 8.360 nan 0.000 0.475 487 L N -0.045 121.260 121.223 0.137 0.000 4.800 487 L HA -0.252 4.088 4.340 -0.000 0.000 0.412 487 L C 0.072 176.972 176.870 0.050 0.000 1.063 487 L CA 0.423 55.305 54.840 0.070 0.000 1.114 487 L CB -1.462 40.663 42.059 0.109 0.000 2.089 487 L HN 0.183 nan 8.230 nan 0.000 0.686 488 R N 0.652 121.186 120.500 0.057 0.000 2.442 488 R HA 0.413 4.753 4.340 -0.000 0.000 0.291 488 R C 0.224 176.543 176.300 0.031 0.000 1.069 488 R CA -0.514 55.617 56.100 0.052 0.000 1.022 488 R CB 1.102 31.436 30.300 0.057 0.000 0.976 488 R HN -0.076 nan 8.270 nan 0.000 0.443 489 V N 4.693 124.628 119.914 0.036 0.000 2.485 489 V HA -0.036 4.084 4.120 -0.000 0.000 0.287 489 V C 0.602 176.701 176.094 0.009 0.000 1.022 489 V CA 0.299 62.611 62.300 0.019 0.000 1.067 489 V CB 0.195 32.044 31.823 0.044 0.000 0.967 489 V HN 0.632 nan 8.190 nan 0.000 0.479 490 K N 3.525 123.919 120.400 -0.010 0.000 2.295 490 K HA 0.482 4.802 4.320 -0.000 0.000 0.270 490 K C 1.236 177.814 176.600 -0.036 0.000 1.011 490 K CA 0.642 56.920 56.287 -0.015 0.000 0.953 490 K CB 0.660 33.148 32.500 -0.018 0.000 0.956 490 K HN 0.996 nan 8.250 nan 0.000 0.477 491 G N 0.150 108.927 108.800 -0.038 0.000 2.213 491 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 491 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 491 G C -0.163 174.685 174.900 -0.087 0.000 0.991 491 G CA -0.111 44.949 45.100 -0.066 0.000 0.629 491 G HN 0.450 nan 8.290 nan 0.000 0.517 492 V N 0.418 120.298 119.914 -0.056 0.000 3.181 492 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 492 V C 0.300 176.427 176.094 0.055 0.000 1.214 492 V CA 0.203 62.482 62.300 -0.035 0.000 1.053 492 V CB 2.310 34.059 31.823 -0.123 0.000 1.069 492 V HN 0.940 nan 8.190 nan 0.000 0.441 493 T N -1.354 113.266 114.554 0.109 0.000 2.926 493 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 493 T C 0.763 175.544 174.700 0.134 0.000 1.054 493 T CA -0.025 62.136 62.100 0.102 0.000 1.015 493 T CB 1.529 70.441 68.868 0.073 0.000 1.167 493 T HN 2.180 nan 8.240 nan 0.000 0.526 494 G N -0.202 108.657 108.800 0.100 0.000 2.168 494 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.257 494 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.257 494 G C -0.324 174.633 174.900 0.095 0.000 0.997 494 G CA 0.455 45.607 45.100 0.086 0.000 0.708 494 G HN 1.092 nan 8.290 nan 0.000 0.520 495 L N 0.094 121.388 121.223 0.119 0.000 2.404 495 L HA 0.818 5.158 4.340 -0.000 0.000 0.272 495 L C -0.016 176.911 176.870 0.094 0.000 0.980 495 L CA -1.057 53.853 54.840 0.117 0.000 0.836 495 L CB 1.234 43.408 42.059 0.191 0.000 1.238 495 L HN 0.222 nan 8.230 nan 0.000 0.408 496 R N 3.160 123.707 120.500 0.078 0.000 2.854 496 R HA 0.865 5.205 4.340 -0.000 0.000 0.271 496 R C -1.456 174.867 176.300 0.039 0.000 0.996 496 R CA -1.092 55.045 56.100 0.061 0.000 0.961 496 R CB 2.481 32.822 30.300 0.068 0.000 1.182 496 R HN 0.394 nan 8.270 nan 0.000 0.479 497 V N 0.898 120.823 119.914 0.018 0.000 2.540 497 V HA 0.699 4.819 4.120 -0.000 0.000 0.302 497 V C -0.744 175.342 176.094 -0.012 0.000 1.035 497 V CA -0.700 61.596 62.300 -0.007 0.000 0.873 497 V CB 1.682 33.484 31.823 -0.035 0.000 0.992 497 V HN 0.918 nan 8.190 nan 0.000 0.428 498 A N 4.226 127.038 122.820 -0.013 0.000 2.569 498 A HA 0.849 5.169 4.320 -0.000 0.000 0.282 498 A C -0.953 176.617 177.584 -0.023 0.000 1.165 498 A CA -0.421 51.613 52.037 -0.006 0.000 0.747 498 A CB 0.793 19.803 19.000 0.017 0.000 1.215 498 A HN 1.014 nan 8.150 nan 0.000 0.431 499 D N 0.304 120.680 120.400 -0.041 0.000 2.893 499 D HA 0.398 5.038 4.640 -0.000 0.000 0.346 499 D C 0.718 176.977 176.300 -0.068 0.000 1.402 499 D CA 0.103 54.078 54.000 -0.042 0.000 0.815 499 D CB 0.381 41.154 40.800 -0.045 0.000 1.403 499 D HN 0.623 nan 8.370 nan 0.000 0.484 500 A N -0.243 122.535 122.820 -0.069 0.000 2.125 500 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 500 A C 1.805 179.283 177.584 -0.178 0.000 1.156 500 A CA 1.949 53.922 52.037 -0.107 0.000 0.671 500 A CB -1.071 17.875 19.000 -0.091 0.000 0.794 500 A HN 0.449 nan 8.150 nan 0.000 0.459 501 S N -0.304 115.297 115.700 -0.165 0.000 2.420 501 S HA -0.167 4.303 4.470 -0.000 0.000 0.237 501 S C 1.832 176.288 174.600 -0.241 0.000 1.023 501 S CA 1.556 59.641 58.200 -0.190 0.000 0.991 501 S CB -0.666 62.443 63.200 -0.152 0.000 0.792 501 S HN 0.998 nan 8.310 nan 0.000 0.488 502 V N -1.076 118.678 119.914 -0.268 0.000 3.129 502 V HA 0.206 4.326 4.120 -0.000 0.000 0.259 502 V C 0.685 176.437 176.094 -0.569 0.000 1.116 502 V CA 0.295 62.374 62.300 -0.369 0.000 1.127 502 V CB -0.836 30.771 31.823 -0.361 0.000 0.742 502 V HN 0.361 nan 8.190 nan 0.000 0.474 503 M N 2.196 121.437 119.600 -0.599 0.000 2.252 503 M HA 0.210 4.690 4.480 -0.000 0.000 0.348 503 M C -1.273 174.487 176.300 -0.899 0.000 1.334 503 M CA -0.925 53.801 55.300 -0.956 0.000 1.071 503 M CB 0.815 33.039 32.600 -0.627 0.000 1.763 503 M HN 0.092 nan 8.290 nan 0.000 0.452 504 P HA 0.007 nan 4.420 nan 0.000 0.231 504 P C -0.296 176.429 177.300 -0.957 0.000 1.168 504 P CA 1.126 63.659 63.100 -0.945 0.000 0.779 504 P CB 0.263 31.419 31.700 -0.906 0.000 0.844 505 E N -1.473 118.230 120.200 -0.828 0.000 2.363 505 E HA 0.227 4.577 4.350 -0.000 0.000 0.281 505 E C -0.933 175.627 176.600 -0.066 0.000 0.953 505 E CA -0.771 55.377 56.400 -0.420 0.000 0.778 505 E CB 0.454 29.907 29.700 -0.411 0.000 1.220 505 E HN -0.146 nan 8.360 nan 0.000 0.431 506 H N 1.594 120.642 119.070 -0.037 0.000 2.913 506 H HA 0.242 4.798 4.556 -0.000 0.000 0.365 506 H C 0.116 175.557 175.328 0.189 0.000 1.155 506 H CA 0.864 56.915 56.048 0.007 0.000 1.417 506 H CB 0.690 30.375 29.762 -0.129 0.000 1.386 506 H HN 0.412 nan 8.280 nan 0.000 0.614 507 V N 1.024 121.302 119.914 0.606 0.000 3.109 507 V HA 0.243 4.363 4.120 -0.000 0.000 0.317 507 V C 1.164 177.370 176.094 0.187 0.000 1.074 507 V CA -0.417 62.140 62.300 0.428 0.000 1.033 507 V CB 1.086 33.141 31.823 0.386 0.000 1.111 507 V HN 0.809 nan 8.190 nan 0.000 0.458 508 T N 1.031 115.662 114.554 0.128 0.000 2.951 508 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 508 T C 0.707 175.351 174.700 -0.093 0.000 1.073 508 T CA 1.455 63.539 62.100 -0.027 0.000 1.134 508 T CB -0.266 68.683 68.868 0.135 0.000 0.884 508 T HN 0.946 nan 8.240 nan 0.000 0.479 509 V N -0.337 119.550 119.914 -0.044 0.000 3.193 509 V HA 0.569 4.689 4.120 -0.000 0.000 0.320 509 V C -0.620 175.478 176.094 0.007 0.000 1.112 509 V CA -1.863 60.343 62.300 -0.156 0.000 1.026 509 V CB 0.659 32.242 31.823 -0.400 0.000 1.128 509 V HN -0.006 nan 8.190 nan 0.000 0.452 510 N N 2.728 121.433 118.700 0.008 0.000 2.365 510 N HA 0.172 4.912 4.740 -0.000 0.000 0.265 510 N C -1.830 173.663 175.510 -0.028 0.000 1.288 510 N CA -0.564 52.448 53.050 -0.064 0.000 0.869 510 N CB 0.267 38.824 38.487 0.117 0.000 1.071 510 N HN 0.649 nan 8.380 nan 0.000 0.480 511 P HA -0.002 nan 4.420 nan 0.000 0.255 511 P C 0.518 177.858 177.300 0.066 0.000 1.248 511 P CA 0.334 63.466 63.100 0.053 0.000 0.807 511 P CB 0.416 32.165 31.700 0.082 0.000 1.150 512 N N 1.241 119.959 118.700 0.029 0.000 2.036 512 N HA -0.160 4.580 4.740 -0.000 0.000 0.195 512 N C 1.690 177.252 175.510 0.087 0.000 1.037 512 N CA 1.528 54.609 53.050 0.052 0.000 0.855 512 N CB -0.706 37.801 38.487 0.034 0.000 1.033 512 N HN -0.065 nan 8.380 nan 0.000 0.423 513 I N 0.229 120.863 120.570 0.107 0.000 2.394 513 I HA -0.161 4.008 4.170 -0.000 0.000 0.251 513 I C 1.791 178.044 176.117 0.227 0.000 1.136 513 I CA 1.124 62.506 61.300 0.138 0.000 1.425 513 I CB -1.589 36.470 38.000 0.100 0.000 1.079 513 I HN 0.218 nan 8.210 nan 0.000 0.425 514 T N 0.972 115.679 114.554 0.254 0.000 2.821 514 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 514 T C 2.189 176.984 174.700 0.158 0.000 1.046 514 T CA 0.919 63.179 62.100 0.267 0.000 1.139 514 T CB -0.164 68.879 68.868 0.293 0.000 0.871 514 T HN 0.107 nan 8.240 nan 0.000 0.454 515 V N 1.574 121.565 119.914 0.129 0.000 2.427 515 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 515 V C 2.434 178.560 176.094 0.054 0.000 1.051 515 V CA 1.522 63.872 62.300 0.085 0.000 1.048 515 V CB -0.595 31.261 31.823 0.054 0.000 0.666 515 V HN 0.498 nan 8.190 nan 0.000 0.456 516 M N -1.055 118.580 119.600 0.057 0.000 2.159 516 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 516 M C 2.320 178.618 176.300 -0.003 0.000 1.063 516 M CA 1.783 57.101 55.300 0.031 0.000 1.110 516 M CB -0.488 32.178 32.600 0.110 0.000 1.374 516 M HN 0.327 nan 8.290 nan 0.000 0.411 517 M N 1.096 120.684 119.600 -0.021 0.000 2.108 517 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 517 M C 1.924 178.196 176.300 -0.047 0.000 1.066 517 M CA 1.944 57.155 55.300 -0.149 0.000 1.107 517 M CB -0.699 31.614 32.600 -0.478 0.000 1.356 517 M HN 0.265 nan 8.290 nan 0.000 0.406 518 I N 0.047 120.665 120.570 0.080 0.000 2.208 518 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 518 I C 2.548 178.735 176.117 0.116 0.000 1.097 518 I CA 1.329 62.760 61.300 0.218 0.000 1.363 518 I CB -1.131 36.992 38.000 0.205 0.000 1.051 518 I HN 0.414 nan 8.210 nan 0.000 0.413 519 G N 0.327 109.136 108.800 0.015 0.000 2.421 519 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 519 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 519 G C 1.527 176.378 174.900 -0.082 0.000 1.171 519 G CA 0.444 45.510 45.100 -0.057 0.000 0.775 519 G HN 0.313 nan 8.290 nan 0.000 0.543 520 E N 0.362 120.506 120.200 -0.093 0.000 2.070 520 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 520 E C 2.582 179.132 176.600 -0.084 0.000 1.004 520 E CA 1.198 57.545 56.400 -0.089 0.000 0.805 520 E CB -0.200 29.455 29.700 -0.075 0.000 0.744 520 E HN 0.262 nan 8.360 nan 0.000 0.451 521 R N 1.165 121.618 120.500 -0.080 0.000 2.083 521 R HA -0.130 4.209 4.340 -0.000 0.000 0.237 521 R C 2.484 178.757 176.300 -0.044 0.000 1.137 521 R CA 1.755 57.786 56.100 -0.116 0.000 0.951 521 R CB -1.287 28.906 30.300 -0.179 0.000 0.851 521 R HN 0.283 nan 8.270 nan 0.000 0.434 522 C N -0.114 119.207 119.300 0.035 0.000 2.432 522 C HA 0.020 4.479 4.460 -0.000 0.000 0.277 522 C C 2.739 177.712 174.990 -0.027 0.000 1.249 522 C CA 1.110 60.155 59.018 0.045 0.000 1.725 522 C CB -1.384 26.389 27.740 0.055 0.000 2.028 522 C HN 0.651 nan 8.230 nan 0.000 0.477 523 A N 0.238 123.017 122.820 -0.067 0.000 1.948 523 A HA -0.222 4.097 4.320 -0.000 0.000 0.220 523 A C 1.823 179.352 177.584 -0.092 0.000 1.177 523 A CA 2.480 54.453 52.037 -0.107 0.000 0.636 523 A CB -0.771 18.160 19.000 -0.115 0.000 0.815 523 A HN 0.665 nan 8.150 nan 0.000 0.449 524 D N -0.091 120.263 120.400 -0.076 0.000 2.097 524 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 524 D C 1.947 178.214 176.300 -0.055 0.000 0.984 524 D CA 0.996 54.953 54.000 -0.071 0.000 0.826 524 D CB -0.374 40.373 40.800 -0.087 0.000 0.973 524 D HN 0.457 nan 8.370 nan 0.000 0.460 525 L N 0.370 121.566 121.223 -0.044 0.000 2.042 525 L HA -0.158 4.181 4.340 -0.000 0.000 0.210 525 L C 2.477 179.346 176.870 -0.001 0.000 1.076 525 L CA 0.844 55.676 54.840 -0.014 0.000 0.749 525 L CB -0.308 41.766 42.059 0.025 0.000 0.893 525 L HN 0.055 nan 8.230 nan 0.000 0.432 526 I N -0.236 120.322 120.570 -0.019 0.000 2.286 526 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 526 I C 2.842 178.943 176.117 -0.025 0.000 1.104 526 I CA 1.071 62.359 61.300 -0.020 0.000 1.397 526 I CB -0.305 37.633 38.000 -0.105 0.000 1.072 526 I HN 0.344 nan 8.210 nan 0.000 0.417 527 R N 0.546 121.012 120.500 -0.057 0.000 2.092 527 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 527 R C 2.186 178.488 176.300 0.004 0.000 1.119 527 R CA 1.509 57.592 56.100 -0.029 0.000 0.970 527 R CB -0.917 29.358 30.300 -0.043 0.000 0.864 527 R HN 0.114 nan 8.270 nan 0.000 0.440 528 S N 1.678 117.376 115.700 -0.003 0.000 2.365 528 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 528 S C 2.268 176.883 174.600 0.024 0.000 1.039 528 S CA 1.579 59.783 58.200 0.006 0.000 1.033 528 S CB -0.360 62.838 63.200 -0.004 0.000 0.887 528 S HN 0.605 nan 8.310 nan 0.000 0.447 529 A N 1.554 124.396 122.820 0.036 0.000 1.933 529 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 529 A C 1.449 179.074 177.584 0.068 0.000 1.175 529 A CA 0.822 52.891 52.037 0.053 0.000 0.628 529 A CB -0.455 18.586 19.000 0.068 0.000 0.814 529 A HN 0.435 nan 8.150 nan 0.000 0.444 530 R N 0.000 120.553 120.500 0.088 0.000 2.786 530 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 530 R CA 0.000 56.165 56.100 0.108 0.000 0.921 530 R CB 0.000 30.401 30.300 0.168 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535