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 2bb6_1_A DATA FIRST_RESID 1 DATA SEQUENCE NIcEITEVDS TLVERLGQRL LPWMDRLSQE QLNPSIYVGL RLSSLQAGAK DATA SEQUENCE EAHYLHSLKL SYQQSLLRPA SNKDDNDSEA KPSMGQLALY LLALRANcEF DATA SEQUENCE IGGRKGDRLV SQLKRFLEDE KRAIGHNHQG HPRTSYYQYS LGILALcVHQ DATA SEQUENCE KRVHDSVVGK LLYAVEHKPH LLQDHVSVDT MAMAGMAFSc LELSNLNPKQ DATA SEQUENCE RNRINLALKR VQEKILKAQT PEGYFGNVYS TPLALQLLMG SLRPSVELGT DATA SEQUENCE AcLKAKAALQ ASLQHKTFQN PLMISQLLPV LNQKSYVDLI SPDcQAPRAL DATA SEQUENCE LEPALETPPQ AKVPKFIDVL LKVSGISPSY RHSVSVPAGS SLEDILKNAQ DATA SEQUENCE EHGRFRFRTQ ASLSGPFLTS VLGRKAGERE FWQVLRDPDT PLQQGIADYR DATA SEQUENCE PKDGETIELR LVGW 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.512 175.510 0.003 0.000 1.280 1 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 1 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 2 I N 1.357 121.931 120.570 0.006 0.000 2.454 2 I HA -0.147 4.024 4.170 0.002 0.000 0.254 2 I C 0.961 177.090 176.117 0.020 0.000 1.156 2 I CA 1.232 62.539 61.300 0.011 0.000 1.433 2 I CB 0.086 38.094 38.000 0.013 0.000 1.082 2 I HN 0.698 nan 8.210 nan 0.000 0.432 3 c N 0.945 119.558 118.600 0.022 0.000 2.618 3 c HA 0.121 4.692 4.570 0.002 0.000 0.264 3 c C 0.973 175.077 174.090 0.024 0.000 1.334 3 c CA -0.370 55.981 56.329 0.036 0.000 1.731 3 c CB -1.541 40.990 42.510 0.036 0.000 1.852 3 c HN 0.387 nan 8.230 nan 0.000 0.566 4 E N 0.845 121.050 120.200 0.009 0.000 2.331 4 E HA 0.311 4.662 4.350 0.002 0.000 0.272 4 E C -0.440 176.157 176.600 -0.004 0.000 1.036 4 E CA -0.052 56.347 56.400 -0.002 0.000 0.864 4 E CB 0.847 30.542 29.700 -0.009 0.000 1.035 4 E HN 0.425 nan 8.360 nan 0.000 0.408 5 I N 2.764 123.327 120.570 -0.013 0.000 2.396 5 I HA 0.014 4.185 4.170 0.002 0.000 0.289 5 I C 0.884 176.988 176.117 -0.023 0.000 1.056 5 I CA 0.188 61.476 61.300 -0.019 0.000 1.365 5 I CB 0.980 38.962 38.000 -0.029 0.000 1.407 5 I HN 0.607 nan 8.210 nan 0.000 0.509 6 T N 3.444 117.986 114.554 -0.020 0.000 3.056 6 T HA 0.059 4.410 4.350 0.002 0.000 0.243 6 T C 0.669 175.355 174.700 -0.022 0.000 0.995 6 T CA 0.337 62.425 62.100 -0.020 0.000 1.091 6 T CB 0.154 69.013 68.868 -0.015 0.000 0.990 6 T HN 0.505 nan 8.240 nan 0.000 0.464 7 E N 2.550 122.736 120.200 -0.022 0.000 2.069 7 E HA 0.340 4.692 4.350 0.002 0.000 0.254 7 E C -1.072 175.511 176.600 -0.029 0.000 1.088 7 E CA -0.285 56.101 56.400 -0.023 0.000 1.017 7 E CB 0.505 30.193 29.700 -0.021 0.000 1.226 7 E HN 0.198 nan 8.360 nan 0.000 0.458 8 V N 0.644 120.539 119.914 -0.032 0.000 2.547 8 V HA 0.207 4.328 4.120 0.002 0.000 0.299 8 V C 0.090 176.164 176.094 -0.034 0.000 1.040 8 V CA -1.211 61.066 62.300 -0.038 0.000 0.913 8 V CB 1.734 33.529 31.823 -0.047 0.000 0.992 8 V HN 0.368 nan 8.190 nan 0.000 0.449 9 D N 2.463 122.843 120.400 -0.035 0.000 2.371 9 D HA 0.138 4.779 4.640 0.002 0.000 0.256 9 D C 1.463 177.745 176.300 -0.029 0.000 1.193 9 D CA 0.722 54.704 54.000 -0.029 0.000 0.881 9 D CB 1.447 42.229 40.800 -0.029 0.000 1.143 9 D HN 0.763 nan 8.370 nan 0.000 0.473 10 S N 1.682 117.367 115.700 -0.024 0.000 2.399 10 S HA -0.236 4.235 4.470 0.002 0.000 0.231 10 S C 1.889 176.478 174.600 -0.020 0.000 1.022 10 S CA 1.578 59.764 58.200 -0.023 0.000 0.983 10 S CB -0.722 62.467 63.200 -0.019 0.000 0.803 10 S HN 0.641 nan 8.310 nan 0.000 0.480 11 T N 0.172 114.716 114.554 -0.017 0.000 2.985 11 T HA 0.203 4.554 4.350 0.002 0.000 0.266 11 T C 1.792 176.484 174.700 -0.013 0.000 1.076 11 T CA 0.728 62.821 62.100 -0.012 0.000 1.135 11 T CB -0.643 68.219 68.868 -0.009 0.000 0.890 11 T HN 0.385 nan 8.240 nan 0.000 0.480 12 L N 0.782 121.993 121.223 -0.020 0.000 2.027 12 L HA -0.012 4.330 4.340 0.002 0.000 0.206 12 L C 2.950 179.805 176.870 -0.026 0.000 1.074 12 L CA 0.792 55.618 54.840 -0.023 0.000 0.745 12 L CB -0.636 41.401 42.059 -0.035 0.000 0.898 12 L HN 0.138 nan 8.230 nan 0.000 0.433 13 V N -0.003 119.891 119.914 -0.033 0.000 2.287 13 V HA -0.338 3.783 4.120 0.002 0.000 0.248 13 V C 2.493 178.573 176.094 -0.024 0.000 1.053 13 V CA 2.167 64.445 62.300 -0.038 0.000 1.027 13 V CB -0.591 31.207 31.823 -0.042 0.000 0.646 13 V HN 0.532 nan 8.190 nan 0.000 0.447 14 E N 0.196 120.387 120.200 -0.016 0.000 2.070 14 E HA -0.281 4.071 4.350 0.002 0.000 0.197 14 E C 2.474 179.077 176.600 0.004 0.000 1.004 14 E CA 1.588 57.984 56.400 -0.006 0.000 0.805 14 E CB -0.106 29.591 29.700 -0.005 0.000 0.744 14 E HN 0.501 nan 8.360 nan 0.000 0.451 15 R N -0.019 120.485 120.500 0.007 0.000 2.091 15 R HA -0.148 4.193 4.340 0.002 0.000 0.238 15 R C 2.623 178.942 176.300 0.032 0.000 1.136 15 R CA 1.460 57.572 56.100 0.020 0.000 0.959 15 R CB -0.323 29.989 30.300 0.021 0.000 0.856 15 R HN 0.280 nan 8.270 nan 0.000 0.437 16 L N -0.794 120.441 121.223 0.020 0.000 1.994 16 L HA -0.134 4.207 4.340 0.002 0.000 0.208 16 L C 2.611 179.499 176.870 0.031 0.000 1.071 16 L CA 1.587 56.443 54.840 0.026 0.000 0.745 16 L CB -0.879 41.172 42.059 -0.014 0.000 0.892 16 L HN 0.375 nan 8.230 nan 0.000 0.431 17 G N -1.070 107.738 108.800 0.013 0.000 2.442 17 G HA2 -0.279 3.682 3.960 0.002 0.000 0.219 17 G HA3 -0.279 3.682 3.960 0.002 0.000 0.219 17 G C 1.499 176.421 174.900 0.037 0.000 1.141 17 G CA 0.474 45.583 45.100 0.014 0.000 0.763 17 G HN 0.401 nan 8.290 nan 0.000 0.554 18 Q N -0.309 119.514 119.800 0.039 0.000 2.226 18 Q HA -0.049 4.292 4.340 0.002 0.000 0.204 18 Q C 2.763 178.812 176.000 0.083 0.000 0.975 18 Q CA 0.888 56.722 55.803 0.051 0.000 0.866 18 Q CB -0.077 28.685 28.738 0.039 0.000 0.915 18 Q HN 0.433 nan 8.270 nan 0.000 0.440 19 R N -0.123 120.437 120.500 0.100 0.000 2.115 19 R HA -0.032 4.310 4.340 0.002 0.000 0.226 19 R C 2.053 178.495 176.300 0.236 0.000 1.100 19 R CA 0.763 56.956 56.100 0.154 0.000 0.980 19 R CB -0.026 30.359 30.300 0.143 0.000 0.875 19 R HN 0.237 nan 8.270 nan 0.000 0.445 20 L N 0.059 121.384 121.223 0.171 0.000 2.179 20 L HA -0.102 4.239 4.340 0.002 0.000 0.208 20 L C 2.055 179.072 176.870 0.245 0.000 1.096 20 L CA 0.274 55.234 54.840 0.200 0.000 0.779 20 L CB -0.299 41.798 42.059 0.063 0.000 0.922 20 L HN 0.180 nan 8.230 nan 0.000 0.443 21 L N 1.368 122.679 121.223 0.146 0.000 1.997 21 L HA -0.171 4.171 4.340 0.002 0.000 0.216 21 L C -0.291 176.636 176.870 0.095 0.000 1.074 21 L CA 2.415 57.312 54.840 0.095 0.000 0.763 21 L CB -1.653 40.441 42.059 0.058 0.000 0.890 21 L HN 0.137 nan 8.230 nan 0.000 0.434 22 P HA -0.190 nan 4.420 nan 0.000 0.222 22 P C 1.243 178.481 177.300 -0.104 0.000 1.147 22 P CA 1.478 64.548 63.100 -0.050 0.000 0.790 22 P CB -0.362 31.253 31.700 -0.142 0.000 0.780 23 W N -0.693 120.641 121.300 0.055 0.000 2.425 23 W HA 0.020 4.682 4.660 0.002 0.000 0.277 23 W C 2.349 178.951 176.519 0.139 0.000 1.231 23 W CA 0.420 57.821 57.345 0.093 0.000 1.248 23 W CB -1.019 28.483 29.460 0.070 0.000 1.117 23 W HN -0.169 nan 8.180 nan 0.000 0.568 24 M N -0.101 119.624 119.600 0.209 0.000 2.435 24 M HA -0.146 4.335 4.480 0.002 0.000 0.262 24 M C 0.387 176.879 176.300 0.320 0.000 1.065 24 M CA 1.455 56.865 55.300 0.184 0.000 1.076 24 M CB -0.946 31.706 32.600 0.086 0.000 1.403 24 M HN -0.015 nan 8.290 nan 0.000 0.454 25 D N -0.422 120.101 120.400 0.206 0.000 2.369 25 D HA 0.109 4.750 4.640 0.002 0.000 0.211 25 D C 0.242 176.625 176.300 0.138 0.000 1.077 25 D CA 0.178 54.272 54.000 0.157 0.000 0.842 25 D CB 0.299 41.135 40.800 0.061 0.000 0.947 25 D HN 0.253 nan 8.370 nan 0.000 0.509 26 R N 0.949 121.566 120.500 0.195 0.000 2.346 26 R HA 0.384 4.726 4.340 0.002 0.000 0.309 26 R C 0.597 177.024 176.300 0.211 0.000 1.119 26 R CA -0.081 56.107 56.100 0.146 0.000 1.112 26 R CB 0.610 30.949 30.300 0.065 0.000 1.132 26 R HN -0.043 nan 8.270 nan 0.000 0.538 27 L N 1.046 122.336 121.223 0.112 0.000 2.857 27 L HA 0.168 4.509 4.340 0.002 0.000 0.249 27 L C 0.630 177.496 176.870 -0.007 0.000 1.172 27 L CA -0.190 54.664 54.840 0.024 0.000 0.980 27 L CB 0.534 42.611 42.059 0.030 0.000 1.299 27 L HN 0.441 nan 8.230 nan 0.000 0.535 28 S N -1.228 114.488 115.700 0.025 0.000 2.584 28 S HA 0.017 4.488 4.470 0.002 0.000 0.270 28 S C 1.042 175.637 174.600 -0.008 0.000 1.346 28 S CA -0.294 57.909 58.200 0.006 0.000 1.018 28 S CB 1.273 64.485 63.200 0.020 0.000 0.899 28 S HN 0.288 nan 8.310 nan 0.000 0.542 29 Q N 0.783 120.561 119.800 -0.035 0.000 2.112 29 Q HA -0.220 4.121 4.340 0.002 0.000 0.206 29 Q C 2.089 178.065 176.000 -0.039 0.000 0.987 29 Q CA 2.199 57.962 55.803 -0.066 0.000 0.858 29 Q CB -0.210 28.474 28.738 -0.091 0.000 0.905 29 Q HN 1.017 nan 8.270 nan 0.000 0.420 30 E N -0.976 119.223 120.200 -0.001 0.000 2.481 30 E HA -0.130 4.221 4.350 0.002 0.000 0.195 30 E C 1.327 177.984 176.600 0.095 0.000 1.047 30 E CA 0.407 56.825 56.400 0.029 0.000 0.867 30 E CB 0.151 29.869 29.700 0.029 0.000 0.858 30 E HN 0.385 nan 8.360 nan 0.000 0.513 31 Q N 0.351 120.228 119.800 0.128 0.000 2.392 31 Q HA 0.241 4.582 4.340 0.002 0.000 0.219 31 Q C 0.427 176.590 176.000 0.272 0.000 0.895 31 Q CA -0.214 55.742 55.803 0.255 0.000 0.929 31 Q CB 0.672 29.589 28.738 0.298 0.000 1.077 31 Q HN 0.286 nan 8.270 nan 0.000 0.532 32 L N 2.420 123.730 121.223 0.146 0.000 2.525 32 L HA 0.008 4.349 4.340 0.002 0.000 0.278 32 L C 0.151 177.147 176.870 0.210 0.000 1.218 32 L CA 0.216 55.116 54.840 0.100 0.000 0.878 32 L CB 0.138 42.173 42.059 -0.040 0.000 1.127 32 L HN 0.093 nan 8.230 nan 0.000 0.492 33 N N 4.650 123.552 118.700 0.336 0.000 2.581 33 N HA 0.248 4.990 4.740 0.002 0.000 0.279 33 N C -2.141 173.577 175.510 0.347 0.000 1.124 33 N CA -1.484 51.743 53.050 0.294 0.000 0.833 33 N CB 2.024 40.641 38.487 0.216 0.000 1.338 33 N HN 0.129 nan 8.380 nan 0.000 0.533 34 P HA -0.078 nan 4.420 nan 0.000 0.220 34 P C 1.292 178.694 177.300 0.170 0.000 1.148 34 P CA 0.799 64.009 63.100 0.182 0.000 0.803 34 P CB 0.506 32.215 31.700 0.015 0.000 0.782 35 S N -0.709 115.065 115.700 0.123 0.000 2.383 35 S HA -0.082 4.390 4.470 0.002 0.000 0.227 35 S C 1.894 176.554 174.600 0.101 0.000 1.026 35 S CA 0.655 58.911 58.200 0.093 0.000 0.981 35 S CB -0.910 62.340 63.200 0.083 0.000 0.818 35 S HN -0.013 nan 8.310 nan 0.000 0.472 36 I N 0.049 120.677 120.570 0.097 0.000 2.252 36 I HA -0.143 4.029 4.170 0.002 0.000 0.245 36 I C 2.213 178.340 176.117 0.016 0.000 1.102 36 I CA 1.505 62.821 61.300 0.026 0.000 1.385 36 I CB -0.425 37.562 38.000 -0.022 0.000 1.064 36 I HN 0.409 nan 8.210 nan 0.000 0.414 37 Y N 1.203 121.500 120.300 -0.005 0.000 2.163 37 Y HA -0.230 4.321 4.550 0.002 0.000 0.288 37 Y C 2.454 178.359 175.900 0.007 0.000 1.136 37 Y CA 1.653 59.752 58.100 -0.000 0.000 1.147 37 Y CB -0.329 38.222 38.460 0.153 0.000 0.987 37 Y HN -0.152 nan 8.280 nan 0.000 0.509 38 V N 0.296 120.276 119.914 0.111 0.000 2.287 38 V HA -0.338 3.783 4.120 0.002 0.000 0.248 38 V C 2.646 178.733 176.094 -0.012 0.000 1.053 38 V CA 2.073 64.389 62.300 0.028 0.000 1.027 38 V CB -1.657 30.197 31.823 0.053 0.000 0.646 38 V HN 0.656 nan 8.190 nan 0.000 0.447 39 G N -0.612 108.205 108.800 0.028 0.000 2.469 39 G HA2 -0.260 3.701 3.960 0.002 0.000 0.219 39 G HA3 -0.260 3.701 3.960 0.002 0.000 0.219 39 G C 1.636 176.498 174.900 -0.063 0.000 1.150 39 G CA 1.194 46.302 45.100 0.013 0.000 0.763 39 G HN 0.461 nan 8.290 nan 0.000 0.561 40 L N -0.451 120.695 121.223 -0.128 0.000 2.072 40 L HA 0.026 4.368 4.340 0.002 0.000 0.205 40 L C 3.180 179.939 176.870 -0.185 0.000 1.079 40 L CA 0.550 55.296 54.840 -0.156 0.000 0.752 40 L CB -0.181 41.764 42.059 -0.191 0.000 0.906 40 L HN 0.048 nan 8.230 nan 0.000 0.436 41 R N 0.138 120.470 120.500 -0.280 0.000 2.096 41 R HA -0.064 4.277 4.340 0.002 0.000 0.235 41 R C 1.966 178.187 176.300 -0.131 0.000 1.127 41 R CA 1.183 57.132 56.100 -0.251 0.000 0.968 41 R CB -0.714 29.382 30.300 -0.340 0.000 0.861 41 R HN 0.381 nan 8.270 nan 0.000 0.440 42 L N 1.181 122.348 121.223 -0.092 0.000 2.591 42 L HA 0.057 4.398 4.340 0.002 0.000 0.228 42 L C 1.202 178.039 176.870 -0.056 0.000 1.133 42 L CA -0.120 54.689 54.840 -0.053 0.000 0.880 42 L CB -0.185 41.866 42.059 -0.013 0.000 1.033 42 L HN 0.074 nan 8.230 nan 0.000 0.450 43 S N -1.055 114.605 115.700 -0.067 0.000 2.671 43 S HA 0.134 4.605 4.470 0.002 0.000 0.272 43 S C 1.155 175.722 174.600 -0.055 0.000 1.174 43 S CA -0.025 58.138 58.200 -0.061 0.000 1.004 43 S CB 1.338 64.501 63.200 -0.063 0.000 1.077 43 S HN 0.190 nan 8.310 nan 0.000 0.553 44 S N -0.370 115.301 115.700 -0.048 0.000 2.577 44 S HA 0.360 4.831 4.470 0.002 0.000 0.219 44 S C 0.171 174.748 174.600 -0.037 0.000 0.962 44 S CA -0.610 57.566 58.200 -0.040 0.000 0.921 44 S CB -0.896 62.282 63.200 -0.036 0.000 0.789 44 S HN 0.565 nan 8.310 nan 0.000 0.497 45 L N 1.481 122.678 121.223 -0.043 0.000 2.319 45 L HA 0.668 5.009 4.340 0.002 0.000 0.267 45 L C -0.667 176.176 176.870 -0.046 0.000 1.011 45 L CA -1.066 53.751 54.840 -0.037 0.000 0.818 45 L CB 1.867 43.906 42.059 -0.034 0.000 1.316 45 L HN 0.234 nan 8.230 nan 0.000 0.432 46 Q N 0.585 120.364 119.800 -0.035 0.000 2.345 46 Q HA 0.695 5.036 4.340 0.002 0.000 0.275 46 Q C -0.951 175.038 176.000 -0.019 0.000 1.063 46 Q CA -0.815 54.966 55.803 -0.036 0.000 0.819 46 Q CB 2.144 30.866 28.738 -0.028 0.000 1.356 46 Q HN 0.599 nan 8.270 nan 0.000 0.418 47 A N 1.923 124.734 122.820 -0.016 0.000 2.640 47 A HA 0.644 4.965 4.320 0.002 0.000 0.282 47 A C 1.090 178.689 177.584 0.024 0.000 1.357 47 A CA 0.299 52.339 52.037 0.005 0.000 0.946 47 A CB -1.074 17.928 19.000 0.003 0.000 1.065 47 A HN 1.399 nan 8.150 nan 0.000 0.541 48 G N 0.075 108.887 108.800 0.020 0.000 2.614 48 G HA2 -0.102 3.859 3.960 0.002 0.000 0.303 48 G HA3 -0.102 3.859 3.960 0.002 0.000 0.303 48 G C 1.364 176.294 174.900 0.051 0.000 1.270 48 G CA 0.675 45.792 45.100 0.028 0.000 0.988 48 G HN 1.555 nan 8.290 nan 0.000 0.551 49 A N -0.528 122.321 122.820 0.048 0.000 2.172 49 A HA 0.095 4.416 4.320 0.002 0.000 0.216 49 A C 2.213 179.859 177.584 0.104 0.000 1.154 49 A CA 2.277 54.352 52.037 0.063 0.000 0.701 49 A CB -0.380 18.639 19.000 0.032 0.000 0.789 49 A HN 0.672 nan 8.150 nan 0.000 0.465 50 K N -0.092 120.373 120.400 0.107 0.000 2.147 50 K HA -0.152 4.169 4.320 0.002 0.000 0.205 50 K C 1.818 178.573 176.600 0.259 0.000 1.049 50 K CA 1.566 57.955 56.287 0.170 0.000 0.936 50 K CB -0.099 32.478 32.500 0.128 0.000 0.722 50 K HN 0.662 nan 8.250 nan 0.000 0.446 51 E N 0.392 120.721 120.200 0.215 0.000 2.031 51 E HA -0.185 4.166 4.350 0.002 0.000 0.193 51 E C 2.120 178.968 176.600 0.413 0.000 0.994 51 E CA 1.157 57.740 56.400 0.306 0.000 0.800 51 E CB -0.143 29.670 29.700 0.188 0.000 0.752 51 E HN 0.324 nan 8.360 nan 0.000 0.447 52 A N 1.031 124.027 122.820 0.293 0.000 1.933 52 A HA -0.237 4.084 4.320 0.002 0.000 0.218 52 A C 1.931 179.661 177.584 0.243 0.000 1.175 52 A CA 1.936 54.118 52.037 0.242 0.000 0.628 52 A CB -0.769 18.328 19.000 0.163 0.000 0.814 52 A HN 0.288 nan 8.150 nan 0.000 0.444 53 H N -2.317 116.853 119.070 0.166 0.000 2.352 53 H HA -0.198 4.359 4.556 0.002 0.000 0.299 53 H C 1.794 177.246 175.328 0.206 0.000 1.097 53 H CA 2.265 58.409 56.048 0.160 0.000 1.311 53 H CB -0.376 29.465 29.762 0.131 0.000 1.377 53 H HN 0.566 nan 8.280 nan 0.000 0.504 54 Y N -0.366 120.024 120.300 0.151 0.000 2.145 54 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 54 Y C 2.362 178.238 175.900 -0.041 0.000 1.145 54 Y CA 1.542 59.695 58.100 0.089 0.000 1.148 54 Y CB -0.381 38.208 38.460 0.215 0.000 0.981 54 Y HN 0.328 nan 8.280 nan 0.000 0.507 55 L N -0.531 120.708 121.223 0.027 0.000 2.056 55 L HA -0.193 4.148 4.340 0.002 0.000 0.207 55 L C 2.289 179.100 176.870 -0.100 0.000 1.078 55 L CA 2.238 56.926 54.840 -0.254 0.000 0.749 55 L CB -1.042 40.763 42.059 -0.423 0.000 0.901 55 L HN 0.324 nan 8.230 nan 0.000 0.433 56 H N -1.204 117.798 119.070 -0.112 0.000 2.352 56 H HA -0.123 4.434 4.556 0.002 0.000 0.299 56 H C 2.289 177.526 175.328 -0.151 0.000 1.097 56 H CA 1.946 57.931 56.048 -0.106 0.000 1.311 56 H CB 0.010 29.718 29.762 -0.091 0.000 1.377 56 H HN 0.386 nan 8.280 nan 0.000 0.504 57 S N -0.312 115.277 115.700 -0.186 0.000 2.382 57 S HA -0.108 4.363 4.470 0.002 0.000 0.228 57 S C 2.269 176.744 174.600 -0.208 0.000 1.027 57 S CA 1.135 59.189 58.200 -0.244 0.000 0.991 57 S CB -0.228 62.785 63.200 -0.311 0.000 0.823 57 S HN 0.336 nan 8.310 nan 0.000 0.469 58 L N 1.138 122.243 121.223 -0.196 0.000 2.017 58 L HA -0.159 4.182 4.340 0.002 0.000 0.208 58 L C 2.475 179.321 176.870 -0.040 0.000 1.073 58 L CA 1.335 56.132 54.840 -0.071 0.000 0.745 58 L CB -0.456 41.563 42.059 -0.067 0.000 0.894 58 L HN 0.247 nan 8.230 nan 0.000 0.432 59 K N -0.338 120.041 120.400 -0.034 0.000 2.032 59 K HA -0.231 4.091 4.320 0.002 0.000 0.209 59 K C 2.041 178.551 176.600 -0.151 0.000 1.048 59 K CA 1.295 57.564 56.287 -0.030 0.000 0.927 59 K CB -0.354 32.104 32.500 -0.069 0.000 0.712 59 K HN 0.062 nan 8.250 nan 0.000 0.441 60 L N 1.025 122.113 121.223 -0.224 0.000 2.017 60 L HA -0.195 4.146 4.340 0.002 0.000 0.208 60 L C 2.472 179.249 176.870 -0.155 0.000 1.073 60 L CA 1.772 56.490 54.840 -0.202 0.000 0.745 60 L CB -0.759 41.169 42.059 -0.219 0.000 0.894 60 L HN 0.109 nan 8.230 nan 0.000 0.432 61 S N -1.892 113.721 115.700 -0.144 0.000 2.345 61 S HA -0.206 4.265 4.470 0.002 0.000 0.220 61 S C 2.091 176.549 174.600 -0.236 0.000 1.031 61 S CA 1.147 59.247 58.200 -0.167 0.000 0.996 61 S CB -0.545 62.567 63.200 -0.146 0.000 0.882 61 S HN 0.490 nan 8.310 nan 0.000 0.445 62 Y N 1.869 121.941 120.300 -0.380 0.000 2.181 62 Y HA -0.068 4.483 4.550 0.002 0.000 0.288 62 Y C 2.839 178.522 175.900 -0.363 0.000 1.146 62 Y CA 1.838 59.650 58.100 -0.481 0.000 1.164 62 Y CB -0.579 37.286 38.460 -0.991 0.000 0.982 62 Y HN 0.404 nan 8.280 nan 0.000 0.515 63 Q N -0.246 119.450 119.800 -0.174 0.000 2.046 63 Q HA -0.255 4.086 4.340 0.002 0.000 0.200 63 Q C 2.373 178.309 176.000 -0.106 0.000 0.975 63 Q CA 1.826 57.559 55.803 -0.117 0.000 0.836 63 Q CB -0.269 28.420 28.738 -0.083 0.000 0.896 63 Q HN 0.664 nan 8.270 nan 0.000 0.428 64 Q N -0.277 119.453 119.800 -0.117 0.000 2.167 64 Q HA -0.071 4.271 4.340 0.002 0.000 0.202 64 Q C 1.843 177.777 176.000 -0.110 0.000 0.970 64 Q CA 1.638 57.382 55.803 -0.100 0.000 0.855 64 Q CB -0.070 28.613 28.738 -0.092 0.000 0.911 64 Q HN 0.073 nan 8.270 nan 0.000 0.438 65 S N 1.020 116.630 115.700 -0.151 0.000 2.387 65 S HA 0.046 4.518 4.470 0.002 0.000 0.226 65 S C 1.783 176.299 174.600 -0.140 0.000 1.026 65 S CA 0.932 59.034 58.200 -0.162 0.000 0.972 65 S CB -0.023 63.033 63.200 -0.240 0.000 0.814 65 S HN 0.333 nan 8.310 nan 0.000 0.477 66 L N 0.439 121.579 121.223 -0.138 0.000 2.477 66 L HA 0.303 4.644 4.340 0.002 0.000 0.220 66 L C -0.132 176.699 176.870 -0.066 0.000 1.106 66 L CA 0.294 55.073 54.840 -0.102 0.000 0.851 66 L CB -0.020 41.981 42.059 -0.097 0.000 0.994 66 L HN 0.134 nan 8.230 nan 0.000 0.462 67 L N -0.280 120.904 121.223 -0.064 0.000 2.313 67 L HA 0.467 4.808 4.340 0.002 0.000 0.283 67 L C 0.424 177.270 176.870 -0.040 0.000 1.013 67 L CA -0.472 54.342 54.840 -0.044 0.000 0.816 67 L CB 1.673 43.710 42.059 -0.037 0.000 1.236 67 L HN 0.123 nan 8.230 nan 0.000 0.419 68 R N 1.383 121.865 120.500 -0.030 0.000 4.087 68 R HA -0.153 4.188 4.340 0.002 0.000 0.243 68 R C -2.039 174.246 176.300 -0.026 0.000 0.242 68 R CA 0.322 56.408 56.100 -0.025 0.000 0.872 68 R CB -2.215 28.072 30.300 -0.022 0.000 1.030 68 R HN 0.603 nan 8.270 nan 0.000 0.545 69 P HA -0.238 nan 4.420 nan 0.000 0.110 69 P C -0.170 177.118 177.300 -0.019 0.000 0.739 69 P CA 1.523 64.610 63.100 -0.022 0.000 1.065 69 P CB -0.522 31.163 31.700 -0.025 0.000 1.586 70 A N 2.523 125.334 122.820 -0.016 0.000 1.908 70 A HA -0.158 4.163 4.320 0.002 0.000 0.218 70 A C 1.876 179.453 177.584 -0.012 0.000 1.181 70 A CA 1.868 53.897 52.037 -0.013 0.000 0.627 70 A CB -0.367 18.627 19.000 -0.011 0.000 0.818 70 A HN 0.445 nan 8.150 nan 0.000 0.445 71 S N 0.491 116.184 115.700 -0.012 0.000 2.622 71 S HA 0.122 4.593 4.470 0.002 0.000 0.236 71 S C 0.195 174.787 174.600 -0.013 0.000 0.956 71 S CA -0.645 57.548 58.200 -0.011 0.000 0.971 71 S CB -0.505 62.689 63.200 -0.010 0.000 0.782 71 S HN 0.559 nan 8.310 nan 0.000 0.468 72 N N 3.582 122.273 118.700 -0.015 0.000 1.338 72 N HA -0.166 4.575 4.740 0.002 0.000 0.401 72 N C -0.110 175.391 175.510 -0.016 0.000 1.167 72 N CA 0.863 53.903 53.050 -0.018 0.000 0.753 72 N CB 0.167 38.642 38.487 -0.019 0.000 0.952 72 N HN 0.450 nan 8.380 nan 0.000 0.556 73 K N 2.458 122.848 120.400 -0.017 0.000 2.430 73 K HA -0.121 4.201 4.320 0.002 0.000 0.280 73 K C -0.038 176.553 176.600 -0.015 0.000 1.063 73 K CA -0.059 56.218 56.287 -0.015 0.000 1.071 73 K CB 0.212 32.703 32.500 -0.016 0.000 0.899 73 K HN 0.442 nan 8.250 nan 0.000 0.473 74 D N 3.598 123.990 120.400 -0.013 0.000 4.088 74 D HA -0.223 4.418 4.640 0.002 0.000 0.187 74 D C 0.271 176.563 176.300 -0.014 0.000 1.259 74 D CA 1.309 55.301 54.000 -0.013 0.000 0.702 74 D CB -0.216 40.577 40.800 -0.012 0.000 1.019 74 D HN 0.754 nan 8.370 nan 0.000 0.498 75 D N -0.375 120.016 120.400 -0.015 0.000 2.348 75 D HA -0.108 4.533 4.640 0.002 0.000 0.115 75 D C 0.348 176.639 176.300 -0.015 0.000 1.491 75 D CA 0.177 54.167 54.000 -0.016 0.000 1.321 75 D CB -0.263 40.526 40.800 -0.019 0.000 2.433 75 D HN 0.160 nan 8.370 nan 0.000 0.244 76 N N 1.486 120.176 118.700 -0.017 0.000 2.782 76 N HA -0.148 4.593 4.740 0.002 0.000 0.251 76 N C -0.212 175.288 175.510 -0.018 0.000 1.101 76 N CA 1.738 54.778 53.050 -0.016 0.000 0.764 76 N CB -1.346 37.134 38.487 -0.012 0.000 1.122 76 N HN 0.650 nan 8.380 nan 0.000 0.561 77 D N -0.579 119.808 120.400 -0.022 0.000 2.519 77 D HA 0.000 4.641 4.640 0.002 0.000 0.114 77 D C -0.638 175.644 176.300 -0.031 0.000 1.463 77 D CA 1.064 55.050 54.000 -0.024 0.000 1.454 77 D CB -0.618 40.171 40.800 -0.018 0.000 2.156 77 D HN 0.067 nan 8.370 nan 0.000 0.210 78 S N 1.313 116.996 115.700 -0.029 0.000 3.448 78 S HA 0.014 4.485 4.470 0.002 0.000 0.408 78 S C 0.746 175.321 174.600 -0.041 0.000 1.128 78 S CA 1.357 59.538 58.200 -0.032 0.000 1.339 78 S CB -0.246 62.938 63.200 -0.028 0.000 0.915 78 S HN 0.575 nan 8.310 nan 0.000 0.546 79 E N 2.312 122.483 120.200 -0.049 0.000 1.669 79 E HA 0.180 4.531 4.350 0.002 0.000 0.205 79 E C 0.386 176.941 176.600 -0.074 0.000 0.997 79 E CA 0.091 56.454 56.400 -0.063 0.000 1.175 79 E CB -0.932 28.724 29.700 -0.072 0.000 4.216 79 E HN 1.967 nan 8.360 nan 0.000 0.831 80 A N 1.867 124.645 122.820 -0.069 0.000 2.971 80 A HA -0.166 4.155 4.320 0.002 0.000 0.280 80 A C 0.018 177.532 177.584 -0.116 0.000 1.430 80 A CA 1.098 53.090 52.037 -0.075 0.000 0.749 80 A CB -2.253 16.710 19.000 -0.063 0.000 1.038 80 A HN 0.281 nan 8.150 nan 0.000 0.510 81 K N -0.157 120.171 120.400 -0.120 0.000 2.543 81 K HA 0.135 4.457 4.320 0.002 0.000 0.279 81 K C -1.944 174.541 176.600 -0.193 0.000 1.001 81 K CA -0.105 56.085 56.287 -0.162 0.000 1.088 81 K CB 0.145 32.574 32.500 -0.119 0.000 0.863 81 K HN 0.416 nan 8.250 nan 0.000 0.488 82 P HA -0.049 nan 4.420 nan 0.000 0.269 82 P C -0.383 176.812 177.300 -0.174 0.000 1.209 82 P CA -0.187 62.729 63.100 -0.306 0.000 0.776 82 P CB 0.736 32.042 31.700 -0.656 0.000 0.876 83 S N 2.063 117.691 115.700 -0.119 0.000 2.634 83 S HA 0.187 4.658 4.470 0.002 0.000 0.261 83 S C 1.298 175.799 174.600 -0.165 0.000 1.271 83 S CA -0.520 57.606 58.200 -0.124 0.000 0.985 83 S CB 0.217 63.352 63.200 -0.108 0.000 0.968 83 S HN 0.220 nan 8.310 nan 0.000 0.568 84 M N 0.888 120.297 119.600 -0.317 0.000 2.319 84 M HA 0.043 4.525 4.480 0.002 0.000 0.265 84 M C 2.272 178.279 176.300 -0.488 0.000 1.068 84 M CA 1.517 56.520 55.300 -0.495 0.000 1.118 84 M CB -2.085 29.951 32.600 -0.940 0.000 1.395 84 M HN 0.958 nan 8.290 nan 0.000 0.435 85 G N -0.099 108.440 108.800 -0.434 0.000 2.408 85 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 85 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 85 G C 1.512 176.371 174.900 -0.068 0.000 1.150 85 G CA 0.319 45.297 45.100 -0.202 0.000 0.776 85 G HN 0.483 nan 8.290 nan 0.000 0.542 86 Q N -0.639 119.145 119.800 -0.026 0.000 2.119 86 Q HA 0.004 4.345 4.340 0.002 0.000 0.201 86 Q C 2.425 178.539 176.000 0.190 0.000 0.972 86 Q CA 0.881 56.747 55.803 0.105 0.000 0.847 86 Q CB -0.238 28.584 28.738 0.141 0.000 0.903 86 Q HN 0.421 nan 8.270 nan 0.000 0.433 87 L N 0.814 122.127 121.223 0.149 0.000 2.042 87 L HA -0.159 4.183 4.340 0.002 0.000 0.210 87 L C 2.136 179.039 176.870 0.055 0.000 1.076 87 L CA 2.092 57.022 54.840 0.150 0.000 0.749 87 L CB -0.859 41.245 42.059 0.076 0.000 0.893 87 L HN 0.136 nan 8.230 nan 0.000 0.432 88 A N -0.309 122.500 122.820 -0.019 0.000 1.892 88 A HA -0.226 4.096 4.320 0.002 0.000 0.218 88 A C 2.283 179.829 177.584 -0.064 0.000 1.188 88 A CA 2.255 54.267 52.037 -0.042 0.000 0.631 88 A CB -1.064 17.901 19.000 -0.058 0.000 0.822 88 A HN 0.522 nan 8.150 nan 0.000 0.447 89 L N -2.109 119.079 121.223 -0.058 0.000 2.083 89 L HA -0.213 4.128 4.340 0.002 0.000 0.209 89 L C 2.568 179.374 176.870 -0.107 0.000 1.083 89 L CA 1.730 56.514 54.840 -0.093 0.000 0.752 89 L CB -0.637 41.398 42.059 -0.040 0.000 0.899 89 L HN 0.618 nan 8.230 nan 0.000 0.433 90 Y N 0.450 120.575 120.300 -0.293 0.000 2.165 90 Y HA -0.283 4.268 4.550 0.002 0.000 0.286 90 Y C 2.250 178.009 175.900 -0.235 0.000 1.155 90 Y CA 1.499 59.335 58.100 -0.441 0.000 1.164 90 Y CB -0.210 37.743 38.460 -0.846 0.000 0.978 90 Y HN -0.027 nan 8.280 nan 0.000 0.513 91 L N 0.013 121.087 121.223 -0.250 0.000 2.079 91 L HA -0.259 4.082 4.340 0.002 0.000 0.210 91 L C 2.428 179.278 176.870 -0.033 0.000 1.081 91 L CA 1.553 56.278 54.840 -0.192 0.000 0.752 91 L CB -0.935 41.064 42.059 -0.099 0.000 0.896 91 L HN 0.325 nan 8.230 nan 0.000 0.433 92 L N -1.427 119.726 121.223 -0.117 0.000 2.083 92 L HA -0.202 4.140 4.340 0.002 0.000 0.209 92 L C 2.663 179.464 176.870 -0.115 0.000 1.083 92 L CA 1.148 55.900 54.840 -0.146 0.000 0.752 92 L CB -0.953 40.951 42.059 -0.258 0.000 0.899 92 L HN 0.290 nan 8.230 nan 0.000 0.433 93 A N 0.418 123.167 122.820 -0.118 0.000 1.933 93 A HA -0.162 4.159 4.320 0.002 0.000 0.218 93 A C 2.275 179.811 177.584 -0.080 0.000 1.175 93 A CA 1.346 53.383 52.037 -0.000 0.000 0.628 93 A CB -0.630 18.314 19.000 -0.095 0.000 0.814 93 A HN 0.353 nan 8.150 nan 0.000 0.444 94 L N -1.207 119.855 121.223 -0.269 0.000 2.046 94 L HA -0.192 4.150 4.340 0.002 0.000 0.208 94 L C 2.851 179.636 176.870 -0.140 0.000 1.077 94 L CA 1.148 55.862 54.840 -0.210 0.000 0.747 94 L CB -0.537 41.393 42.059 -0.215 0.000 0.896 94 L HN 0.255 nan 8.230 nan 0.000 0.432 95 R N 0.285 120.665 120.500 -0.200 0.000 2.096 95 R HA -0.078 4.263 4.340 0.002 0.000 0.235 95 R C 2.272 178.461 176.300 -0.186 0.000 1.127 95 R CA 1.398 57.297 56.100 -0.335 0.000 0.968 95 R CB -1.008 29.042 30.300 -0.417 0.000 0.861 95 R HN 0.357 nan 8.270 nan 0.000 0.440 96 A N 0.918 123.694 122.820 -0.073 0.000 2.019 96 A HA -0.161 4.160 4.320 0.002 0.000 0.219 96 A C 1.748 179.348 177.584 0.027 0.000 1.164 96 A CA 1.557 53.587 52.037 -0.013 0.000 0.644 96 A CB -0.430 18.592 19.000 0.037 0.000 0.805 96 A HN 0.292 nan 8.150 nan 0.000 0.449 97 N N -1.361 117.383 118.700 0.074 0.000 2.314 97 N HA 0.068 4.810 4.740 0.002 0.000 0.200 97 N C -0.034 175.466 175.510 -0.015 0.000 1.135 97 N CA 0.490 53.587 53.050 0.077 0.000 0.835 97 N CB -0.812 37.747 38.487 0.119 0.000 0.989 97 N HN 0.340 nan 8.380 nan 0.000 0.478 98 c N 0.834 119.381 118.600 -0.088 0.000 4.365 98 c HA -0.171 4.400 4.570 0.002 0.000 0.299 98 c C -0.243 173.751 174.090 -0.159 0.000 1.409 98 c CA 0.285 56.529 56.329 -0.142 0.000 2.007 98 c CB -2.606 39.861 42.510 -0.072 0.000 1.264 98 c HN 0.482 nan 8.230 nan 0.000 0.777 99 E N -1.105 118.984 120.200 -0.185 0.000 2.207 99 E HA 0.699 5.050 4.350 0.002 0.000 0.270 99 E C -0.429 176.032 176.600 -0.232 0.000 0.927 99 E CA -0.636 55.694 56.400 -0.117 0.000 0.799 99 E CB 1.094 30.779 29.700 -0.026 0.000 1.172 99 E HN 0.287 nan 8.360 nan 0.000 0.404 100 F N 1.271 121.262 119.950 0.069 0.000 2.397 100 F HA 0.325 4.853 4.527 0.002 0.000 0.331 100 F C 0.569 176.465 175.800 0.159 0.000 1.090 100 F CA -0.858 57.252 58.000 0.185 0.000 1.065 100 F CB 0.804 39.873 39.000 0.116 0.000 1.184 100 F HN 0.362 nan 8.300 nan 0.000 0.499 101 I N 2.258 123.027 120.570 0.331 0.000 2.618 101 I HA 0.450 4.622 4.170 0.002 0.000 0.284 101 I C 0.295 176.463 176.117 0.084 0.000 1.146 101 I CA 0.913 62.221 61.300 0.014 0.000 1.425 101 I CB -0.244 37.568 38.000 -0.314 0.000 1.383 101 I HN 0.623 nan 8.210 nan 0.000 0.562 102 G N 3.850 112.685 108.800 0.058 0.000 2.682 102 G HA2 0.634 4.596 3.960 0.002 0.000 0.290 102 G HA3 0.634 4.596 3.960 0.002 0.000 0.290 102 G C -0.504 174.417 174.900 0.035 0.000 1.425 102 G CA -0.280 44.852 45.100 0.055 0.000 0.807 102 G HN 1.210 nan 8.290 nan 0.000 0.482 103 G N -0.575 108.242 108.800 0.028 0.000 2.750 103 G HA2 -0.197 3.765 3.960 0.002 0.000 0.228 103 G HA3 -0.197 3.765 3.960 0.002 0.000 0.228 103 G C 0.856 175.765 174.900 0.015 0.000 1.367 103 G CA 0.497 45.609 45.100 0.021 0.000 0.871 103 G HN 0.871 nan 8.290 nan 0.000 0.560 104 R N 0.019 120.526 120.500 0.012 0.000 2.073 104 R HA 0.011 4.352 4.340 0.002 0.000 0.229 104 R C 2.757 179.062 176.300 0.008 0.000 1.120 104 R CA 1.706 57.811 56.100 0.008 0.000 0.967 104 R CB -0.221 30.082 30.300 0.006 0.000 0.862 104 R HN 0.575 nan 8.270 nan 0.000 0.436 105 K N -0.043 120.363 120.400 0.010 0.000 2.026 105 K HA -0.088 4.233 4.320 0.002 0.000 0.208 105 K C 2.229 178.839 176.600 0.016 0.000 1.048 105 K CA 1.434 57.727 56.287 0.010 0.000 0.929 105 K CB -0.347 32.160 32.500 0.011 0.000 0.713 105 K HN 0.287 nan 8.250 nan 0.000 0.439 106 G N 1.900 110.712 108.800 0.021 0.000 2.446 106 G HA2 -0.278 3.684 3.960 0.002 0.000 0.217 106 G HA3 -0.278 3.684 3.960 0.002 0.000 0.217 106 G C 1.001 175.902 174.900 0.001 0.000 1.168 106 G CA 1.244 46.353 45.100 0.014 0.000 0.771 106 G HN 0.206 nan 8.290 nan 0.000 0.551 107 D N 0.286 120.689 120.400 0.005 0.000 2.144 107 D HA -0.047 4.594 4.640 0.002 0.000 0.199 107 D C 2.638 178.941 176.300 0.005 0.000 0.984 107 D CA 0.522 54.524 54.000 0.004 0.000 0.834 107 D CB -0.227 40.576 40.800 0.006 0.000 0.955 107 D HN 0.268 nan 8.370 nan 0.000 0.465 108 R N 0.061 120.565 120.500 0.006 0.000 2.081 108 R HA -0.012 4.330 4.340 0.002 0.000 0.235 108 R C 2.505 178.809 176.300 0.008 0.000 1.131 108 R CA 0.591 56.694 56.100 0.006 0.000 0.960 108 R CB -0.314 29.987 30.300 0.002 0.000 0.856 108 R HN 0.243 nan 8.270 nan 0.000 0.436 109 L N 0.092 121.321 121.223 0.010 0.000 2.056 109 L HA -0.147 4.194 4.340 0.002 0.000 0.207 109 L C 2.420 179.296 176.870 0.011 0.000 1.078 109 L CA 0.851 55.701 54.840 0.017 0.000 0.749 109 L CB -0.460 41.624 42.059 0.043 0.000 0.901 109 L HN 0.009 nan 8.230 nan 0.000 0.433 110 V N -0.593 119.320 119.914 -0.002 0.000 2.287 110 V HA -0.289 3.832 4.120 0.002 0.000 0.248 110 V C 2.597 178.700 176.094 0.015 0.000 1.053 110 V CA 2.134 64.431 62.300 -0.004 0.000 1.027 110 V CB -0.444 31.371 31.823 -0.013 0.000 0.646 110 V HN 0.400 nan 8.190 nan 0.000 0.447 111 S N -0.648 115.062 115.700 0.017 0.000 2.370 111 S HA -0.286 4.185 4.470 0.002 0.000 0.226 111 S C 1.958 176.579 174.600 0.034 0.000 1.033 111 S CA 1.628 59.842 58.200 0.023 0.000 1.011 111 S CB -0.345 62.865 63.200 0.017 0.000 0.852 111 S HN 0.673 nan 8.310 nan 0.000 0.457 112 Q N 0.091 119.910 119.800 0.032 0.000 2.084 112 Q HA -0.055 4.286 4.340 0.002 0.000 0.202 112 Q C 2.237 178.283 176.000 0.077 0.000 0.978 112 Q CA 0.973 56.802 55.803 0.045 0.000 0.844 112 Q CB -0.312 28.440 28.738 0.024 0.000 0.898 112 Q HN 0.345 nan 8.270 nan 0.000 0.426 113 L N 1.322 122.582 121.223 0.062 0.000 2.056 113 L HA -0.156 4.185 4.340 0.002 0.000 0.207 113 L C 1.876 178.827 176.870 0.135 0.000 1.078 113 L CA 1.820 56.716 54.840 0.093 0.000 0.749 113 L CB -0.279 41.805 42.059 0.041 0.000 0.901 113 L HN -0.002 nan 8.230 nan 0.000 0.433 114 K N -0.897 119.549 120.400 0.077 0.000 2.063 114 K HA -0.224 4.097 4.320 0.002 0.000 0.208 114 K C 2.304 178.938 176.600 0.058 0.000 1.048 114 K CA 1.631 57.951 56.287 0.056 0.000 0.928 114 K CB -0.238 32.286 32.500 0.039 0.000 0.713 114 K HN 0.264 nan 8.250 nan 0.000 0.442 115 R N 0.357 120.900 120.500 0.073 0.000 2.073 115 R HA -0.166 4.175 4.340 0.002 0.000 0.234 115 R C 2.230 178.584 176.300 0.091 0.000 1.134 115 R CA 1.461 57.601 56.100 0.065 0.000 0.952 115 R CB -0.347 29.991 30.300 0.064 0.000 0.850 115 R HN 0.153 nan 8.270 nan 0.000 0.433 116 F N 1.392 121.341 119.950 -0.002 0.000 2.063 116 F HA -0.258 4.271 4.527 0.003 0.000 0.298 116 F C 1.734 177.540 175.800 0.010 0.000 1.109 116 F CA 1.761 59.764 58.000 0.005 0.000 1.212 116 F CB -0.401 38.600 39.000 0.001 0.000 0.973 116 F HN 0.003 nan 8.300 nan 0.000 0.480 117 L N -0.208 120.940 121.223 -0.125 0.000 2.056 117 L HA -0.182 4.160 4.340 0.002 0.000 0.207 117 L C 2.456 179.239 176.870 -0.145 0.000 1.078 117 L CA 1.701 56.366 54.840 -0.293 0.000 0.749 117 L CB -0.800 41.112 42.059 -0.246 0.000 0.901 117 L HN 0.151 nan 8.230 nan 0.000 0.433 118 E N 0.398 120.556 120.200 -0.069 0.000 2.077 118 E HA -0.221 4.131 4.350 0.002 0.000 0.193 118 E C 1.753 178.325 176.600 -0.046 0.000 0.989 118 E CA 1.341 57.723 56.400 -0.029 0.000 0.800 118 E CB 0.010 29.700 29.700 -0.016 0.000 0.746 118 E HN 0.347 nan 8.360 nan 0.000 0.452 119 D N 0.224 120.577 120.400 -0.078 0.000 2.144 119 D HA -0.147 4.494 4.640 0.002 0.000 0.199 119 D C 1.727 177.949 176.300 -0.129 0.000 0.984 119 D CA 0.858 54.806 54.000 -0.086 0.000 0.834 119 D CB -0.096 40.662 40.800 -0.069 0.000 0.955 119 D HN 0.236 nan 8.370 nan 0.000 0.465 120 E N 0.776 120.844 120.200 -0.220 0.000 2.072 120 E HA -0.146 4.205 4.350 0.002 0.000 0.191 120 E C 1.980 178.544 176.600 -0.060 0.000 0.985 120 E CA 0.495 56.785 56.400 -0.184 0.000 0.801 120 E CB -0.164 29.385 29.700 -0.252 0.000 0.750 120 E HN 0.341 nan 8.360 nan 0.000 0.452 121 K N 1.080 121.522 120.400 0.071 0.000 2.063 121 K HA -0.154 4.167 4.320 0.002 0.000 0.208 121 K C 2.118 178.706 176.600 -0.019 0.000 1.048 121 K CA 1.217 57.542 56.287 0.062 0.000 0.928 121 K CB 0.055 32.630 32.500 0.125 0.000 0.713 121 K HN -0.035 nan 8.250 nan 0.000 0.442 122 R N -0.277 120.206 120.500 -0.027 0.000 2.115 122 R HA -0.017 4.324 4.340 0.002 0.000 0.226 122 R C 2.385 178.661 176.300 -0.040 0.000 1.100 122 R CA 0.875 56.958 56.100 -0.029 0.000 0.980 122 R CB -0.225 30.058 30.300 -0.028 0.000 0.875 122 R HN 0.233 nan 8.270 nan 0.000 0.445 123 A N 1.412 124.191 122.820 -0.068 0.000 1.940 123 A HA -0.150 4.172 4.320 0.002 0.000 0.219 123 A C 2.108 179.636 177.584 -0.094 0.000 1.176 123 A CA 1.252 53.238 52.037 -0.085 0.000 0.631 123 A CB -0.406 18.530 19.000 -0.107 0.000 0.814 123 A HN 0.162 nan 8.150 nan 0.000 0.446 124 I N -1.278 119.224 120.570 -0.114 0.000 2.233 124 I HA 0.122 4.293 4.170 0.002 0.000 0.243 124 I C 1.630 177.667 176.117 -0.132 0.000 1.093 124 I CA 0.946 62.170 61.300 -0.127 0.000 1.380 124 I CB -0.766 37.146 38.000 -0.148 0.000 1.067 124 I HN 0.574 nan 8.210 nan 0.000 0.413 125 G N 0.893 109.652 108.800 -0.069 0.000 2.681 125 G HA2 -0.297 3.664 3.960 0.002 0.000 0.220 125 G HA3 -0.297 3.664 3.960 0.002 0.000 0.220 125 G C 0.625 175.477 174.900 -0.080 0.000 1.353 125 G CA 0.096 45.227 45.100 0.051 0.000 0.872 125 G HN 0.645 nan 8.290 nan 0.000 0.557 126 H N 1.111 120.136 119.070 -0.075 0.000 2.404 126 H HA -0.287 4.270 4.556 0.001 0.000 0.290 126 H C 1.558 176.798 175.328 -0.147 0.000 1.068 126 H CA 2.155 58.153 56.048 -0.082 0.000 1.036 126 H CB -0.580 29.153 29.762 -0.048 0.000 1.267 126 H HN 1.396 nan 8.280 nan 0.000 0.572 127 N N -1.042 117.337 118.700 -0.535 0.000 2.896 127 N HA -0.253 4.488 4.740 0.002 0.000 0.198 127 N C 1.009 176.108 175.510 -0.686 0.000 1.061 127 N CA 1.644 54.290 53.050 -0.674 0.000 1.096 127 N CB -1.477 36.472 38.487 -0.897 0.000 0.963 127 N HN 0.821 nan 8.380 nan 0.000 0.570 128 H N 0.202 118.742 119.070 -0.884 0.000 2.935 128 H HA 0.155 4.713 4.556 0.004 0.000 0.326 128 H C -0.073 175.067 175.328 -0.313 0.000 1.164 128 H CA 0.505 56.283 56.048 -0.450 0.000 1.661 128 H CB 0.156 29.841 29.762 -0.128 0.000 1.650 128 H HN 0.058 nan 8.280 nan 0.000 0.801 129 Q N 0.767 120.321 119.800 -0.411 0.000 2.314 129 Q HA 0.358 4.699 4.340 0.002 0.000 0.258 129 Q C -0.364 175.565 176.000 -0.118 0.000 0.954 129 Q CA 0.297 55.919 55.803 -0.303 0.000 0.890 129 Q CB 1.259 29.813 28.738 -0.305 0.000 1.210 129 Q HN 0.838 nan 8.270 nan 0.000 0.410 130 G N 2.360 111.062 108.800 -0.164 0.000 2.760 130 G HA2 0.023 3.985 3.960 0.002 0.000 0.540 130 G HA3 0.023 3.985 3.960 0.002 0.000 0.540 130 G C -1.487 173.383 174.900 -0.050 0.000 1.476 130 G CA -0.995 44.004 45.100 -0.170 0.000 0.949 130 G HN 0.715 nan 8.290 nan 0.000 0.633 131 H N 1.869 120.861 119.070 -0.129 0.000 2.567 131 H HA 0.625 5.182 4.556 0.002 0.000 0.345 131 H C -2.159 173.028 175.328 -0.235 0.000 1.169 131 H CA -2.212 53.736 56.048 -0.166 0.000 1.227 131 H CB 1.884 31.549 29.762 -0.162 0.000 1.607 131 H HN 0.376 nan 8.280 nan 0.000 0.534 132 P HA -0.062 nan 4.420 nan 0.000 0.267 132 P C 0.716 177.954 177.300 -0.103 0.000 1.200 132 P CA 0.042 62.986 63.100 -0.260 0.000 0.772 132 P CB 0.982 32.432 31.700 -0.416 0.000 0.855 133 R N 1.452 121.910 120.500 -0.069 0.000 2.096 133 R HA -0.124 4.217 4.340 0.002 0.000 0.235 133 R C 1.329 177.669 176.300 0.066 0.000 1.127 133 R CA 2.337 58.437 56.100 -0.001 0.000 0.968 133 R CB -0.491 29.822 30.300 0.021 0.000 0.861 133 R HN 0.685 nan 8.270 nan 0.000 0.440 134 T N -2.272 112.347 114.554 0.108 0.000 3.397 134 T HA 0.165 4.516 4.350 0.002 0.000 0.197 134 T C 0.773 175.565 174.700 0.153 0.000 0.837 134 T CA 0.256 62.463 62.100 0.178 0.000 2.001 134 T CB -0.079 68.973 68.868 0.305 0.000 1.845 134 T HN 0.321 nan 8.240 nan 0.000 0.444 135 S N -0.948 114.840 115.700 0.148 0.000 2.587 135 S HA 0.469 4.940 4.470 0.002 0.000 0.269 135 S C -0.184 174.470 174.600 0.089 0.000 1.154 135 S CA -0.884 57.397 58.200 0.135 0.000 0.824 135 S CB 0.503 63.847 63.200 0.240 0.000 1.118 135 S HN 0.295 nan 8.310 nan 0.000 0.462 136 Y N 0.064 120.461 120.300 0.161 0.000 2.333 136 Y HA -0.041 4.511 4.550 0.002 0.000 0.290 136 Y C 2.159 178.193 175.900 0.224 0.000 1.144 136 Y CA 1.685 59.874 58.100 0.148 0.000 1.228 136 Y CB -0.576 37.924 38.460 0.068 0.000 0.985 136 Y HN 0.875 nan 8.280 nan 0.000 0.542 137 Y N 0.980 121.427 120.300 0.245 0.000 2.097 137 Y HA -0.361 4.190 4.550 0.002 0.000 0.282 137 Y C 2.382 178.391 175.900 0.181 0.000 1.152 137 Y CA 2.157 60.361 58.100 0.174 0.000 1.136 137 Y CB -0.429 38.102 38.460 0.118 0.000 0.975 137 Y HN 0.131 nan 8.280 nan 0.000 0.498 138 Q N -1.601 118.439 119.800 0.399 0.000 2.124 138 Q HA -0.252 4.089 4.340 0.002 0.000 0.202 138 Q C 2.047 178.249 176.000 0.337 0.000 0.977 138 Q CA 1.704 57.700 55.803 0.321 0.000 0.850 138 Q CB -0.450 28.502 28.738 0.357 0.000 0.901 138 Q HN 0.646 nan 8.270 nan 0.000 0.429 139 Y N 1.087 121.515 120.300 0.213 0.000 2.128 139 Y HA -0.278 4.273 4.550 0.002 0.000 0.284 139 Y C 2.503 178.468 175.900 0.109 0.000 1.154 139 Y CA 1.845 60.042 58.100 0.162 0.000 1.149 139 Y CB -0.090 38.426 38.460 0.093 0.000 0.976 139 Y HN 0.006 nan 8.280 nan 0.000 0.505 140 S N 0.139 115.975 115.700 0.226 0.000 2.368 140 S HA -0.201 4.270 4.470 0.002 0.000 0.225 140 S C 1.878 176.431 174.600 -0.079 0.000 1.030 140 S CA 1.365 59.578 58.200 0.022 0.000 0.999 140 S CB -0.773 62.385 63.200 -0.070 0.000 0.844 140 S HN 0.432 nan 8.310 nan 0.000 0.459 141 L N 2.271 123.426 121.223 -0.113 0.000 2.017 141 L HA 0.001 4.342 4.340 0.002 0.000 0.208 141 L C 2.282 179.117 176.870 -0.059 0.000 1.073 141 L CA 2.122 56.884 54.840 -0.129 0.000 0.745 141 L CB -1.447 40.522 42.059 -0.150 0.000 0.894 141 L HN 0.300 nan 8.230 nan 0.000 0.432 142 G N -0.165 108.634 108.800 -0.002 0.000 2.446 142 G HA2 -0.282 3.679 3.960 0.002 0.000 0.217 142 G HA3 -0.282 3.679 3.960 0.002 0.000 0.217 142 G C 1.649 176.532 174.900 -0.028 0.000 1.168 142 G CA 1.303 46.409 45.100 0.010 0.000 0.771 142 G HN 0.494 nan 8.290 nan 0.000 0.551 143 I N 0.160 120.688 120.570 -0.070 0.000 2.179 143 I HA -0.147 4.024 4.170 0.002 0.000 0.242 143 I C 2.602 178.710 176.117 -0.014 0.000 1.088 143 I CA 0.749 62.019 61.300 -0.049 0.000 1.357 143 I CB -0.284 37.688 38.000 -0.047 0.000 1.051 143 I HN 0.193 nan 8.210 nan 0.000 0.409 144 L N 1.320 122.524 121.223 -0.031 0.000 2.042 144 L HA -0.173 4.168 4.340 0.002 0.000 0.210 144 L C 2.535 179.402 176.870 -0.005 0.000 1.076 144 L CA 2.219 57.047 54.840 -0.021 0.000 0.749 144 L CB -0.772 41.261 42.059 -0.044 0.000 0.893 144 L HN 0.185 nan 8.230 nan 0.000 0.432 145 A N -0.597 122.214 122.820 -0.014 0.000 1.898 145 A HA -0.128 4.193 4.320 0.002 0.000 0.216 145 A C 2.263 179.907 177.584 0.099 0.000 1.181 145 A CA 1.857 53.906 52.037 0.019 0.000 0.620 145 A CB -0.874 18.118 19.000 -0.014 0.000 0.819 145 A HN 0.510 nan 8.150 nan 0.000 0.442 146 L N -0.951 120.310 121.223 0.064 0.000 2.046 146 L HA -0.235 4.106 4.340 0.002 0.000 0.208 146 L C 2.826 179.767 176.870 0.117 0.000 1.077 146 L CA 1.391 56.283 54.840 0.087 0.000 0.747 146 L CB -0.686 41.401 42.059 0.047 0.000 0.896 146 L HN 0.658 nan 8.230 nan 0.000 0.432 147 c N -0.002 118.645 118.600 0.079 0.000 2.413 147 c HA -0.126 4.445 4.570 0.002 0.000 0.276 147 c C 2.869 177.009 174.090 0.083 0.000 1.248 147 c CA 1.142 57.516 56.329 0.075 0.000 1.742 147 c CB -0.603 41.940 42.510 0.055 0.000 2.017 147 c HN 0.512 nan 8.230 nan 0.000 0.481 148 V N -1.762 118.185 119.914 0.054 0.000 2.970 148 V HA -0.042 4.079 4.120 0.002 0.000 0.260 148 V C 2.013 178.071 176.094 -0.060 0.000 1.100 148 V CA 2.028 64.315 62.300 -0.023 0.000 1.122 148 V CB -1.307 30.454 31.823 -0.104 0.000 0.721 148 V HN 0.697 nan 8.190 nan 0.000 0.483 149 H N 0.432 119.568 119.070 0.111 0.000 2.526 149 H HA 0.237 4.794 4.556 0.002 0.000 0.274 149 H C 0.458 175.955 175.328 0.281 0.000 0.999 149 H CA 0.486 56.694 56.048 0.268 0.000 1.157 149 H CB 0.352 30.213 29.762 0.166 0.000 1.407 149 H HN 0.508 nan 8.280 nan 0.000 0.568 150 Q N 0.391 120.343 119.800 0.253 0.000 2.475 150 Q HA -0.165 4.176 4.340 0.002 0.000 0.280 150 Q C -0.465 175.591 176.000 0.093 0.000 1.234 150 Q CA 0.710 56.592 55.803 0.132 0.000 0.873 150 Q CB -1.292 27.485 28.738 0.065 0.000 1.256 150 Q HN 0.410 nan 8.270 nan 0.000 0.475 151 K N 0.742 121.210 120.400 0.115 0.000 2.185 151 K HA 0.451 4.772 4.320 0.002 0.000 0.269 151 K C 0.398 177.034 176.600 0.059 0.000 0.987 151 K CA -0.576 55.757 56.287 0.075 0.000 0.865 151 K CB 1.824 34.369 32.500 0.075 0.000 1.090 151 K HN 0.118 nan 8.250 nan 0.000 0.450 152 R N 1.564 122.090 120.500 0.044 0.000 2.404 152 R HA 0.354 4.695 4.340 0.002 0.000 0.291 152 R C -0.101 176.224 176.300 0.043 0.000 1.025 152 R CA -0.557 55.566 56.100 0.038 0.000 0.991 152 R CB 1.100 31.416 30.300 0.027 0.000 1.053 152 R HN 0.497 nan 8.270 nan 0.000 0.479 153 V N 0.313 120.254 119.914 0.045 0.000 2.994 153 V HA 0.369 4.490 4.120 0.002 0.000 0.318 153 V C 0.215 176.358 176.094 0.082 0.000 1.085 153 V CA -0.963 61.375 62.300 0.063 0.000 0.998 153 V CB 1.528 33.377 31.823 0.044 0.000 1.063 153 V HN 0.773 nan 8.190 nan 0.000 0.447 154 H N 1.346 120.434 119.070 0.029 0.000 2.871 154 H HA 0.060 4.617 4.556 0.001 0.000 0.355 154 H C 0.595 175.953 175.328 0.050 0.000 1.092 154 H CA 0.906 56.975 56.048 0.035 0.000 1.420 154 H CB 1.391 31.172 29.762 0.031 0.000 1.400 154 H HN 0.931 nan 8.280 nan 0.000 0.604 155 D N 2.255 122.453 120.400 -0.337 0.000 2.149 155 D HA -0.229 4.412 4.640 0.002 0.000 0.194 155 D C 2.157 178.545 176.300 0.147 0.000 1.001 155 D CA 2.149 56.089 54.000 -0.102 0.000 0.849 155 D CB -0.263 40.416 40.800 -0.203 0.000 0.939 155 D HN 0.649 nan 8.370 nan 0.000 0.449 156 S N -0.310 115.651 115.700 0.435 0.000 2.399 156 S HA -0.124 4.348 4.470 0.002 0.000 0.231 156 S C 2.185 176.927 174.600 0.236 0.000 1.022 156 S CA 0.956 59.339 58.200 0.306 0.000 0.983 156 S CB -0.574 62.773 63.200 0.244 0.000 0.803 156 S HN 0.127 nan 8.310 nan 0.000 0.480 157 V N 1.695 121.760 119.914 0.251 0.000 2.270 157 V HA -0.107 4.014 4.120 0.002 0.000 0.245 157 V C 2.693 178.972 176.094 0.307 0.000 1.043 157 V CA 1.636 64.082 62.300 0.243 0.000 1.014 157 V CB -0.774 31.125 31.823 0.127 0.000 0.645 157 V HN 0.475 nan 8.190 nan 0.000 0.447 158 V N 1.122 121.176 119.914 0.233 0.000 2.407 158 V HA -0.189 3.932 4.120 0.002 0.000 0.248 158 V C 2.659 178.924 176.094 0.285 0.000 1.055 158 V CA 2.038 64.499 62.300 0.268 0.000 1.049 158 V CB -1.572 30.367 31.823 0.193 0.000 0.662 158 V HN 0.618 nan 8.190 nan 0.000 0.455 159 G N 0.187 109.119 108.800 0.219 0.000 2.469 159 G HA2 -0.250 3.711 3.960 0.002 0.000 0.220 159 G HA3 -0.250 3.711 3.960 0.002 0.000 0.220 159 G C 1.637 176.663 174.900 0.210 0.000 1.136 159 G CA 0.717 45.929 45.100 0.186 0.000 0.759 159 G HN 0.413 nan 8.290 nan 0.000 0.562 160 K N -0.172 120.358 120.400 0.218 0.000 2.097 160 K HA 0.032 4.353 4.320 0.002 0.000 0.205 160 K C 2.359 179.085 176.600 0.210 0.000 1.050 160 K CA 0.514 56.897 56.287 0.160 0.000 0.938 160 K CB -0.598 31.942 32.500 0.068 0.000 0.718 160 K HN 0.357 nan 8.250 nan 0.000 0.442 161 L N 1.347 122.766 121.223 0.326 0.000 2.027 161 L HA -0.061 4.280 4.340 0.002 0.000 0.206 161 L C 2.144 179.216 176.870 0.336 0.000 1.074 161 L CA 1.268 56.313 54.840 0.342 0.000 0.745 161 L CB -0.530 41.843 42.059 0.522 0.000 0.898 161 L HN 0.033 nan 8.230 nan 0.000 0.433 162 L N -1.822 119.604 121.223 0.339 0.000 2.012 162 L HA -0.296 4.046 4.340 0.002 0.000 0.210 162 L C 2.520 179.492 176.870 0.170 0.000 1.073 162 L CA 1.849 56.795 54.840 0.176 0.000 0.748 162 L CB -0.882 41.215 42.059 0.064 0.000 0.891 162 L HN 0.315 nan 8.230 nan 0.000 0.431 163 Y N 0.500 120.854 120.300 0.089 0.000 2.165 163 Y HA -0.309 4.242 4.550 0.000 0.000 0.286 163 Y C 2.476 178.418 175.900 0.070 0.000 1.155 163 Y CA 1.386 59.543 58.100 0.095 0.000 1.164 163 Y CB -0.270 38.176 38.460 -0.023 0.000 0.978 163 Y HN 0.134 nan 8.280 nan 0.000 0.513 164 A N -0.921 121.986 122.820 0.144 0.000 1.902 164 A HA -0.159 4.162 4.320 0.002 0.000 0.217 164 A C 2.353 179.886 177.584 -0.086 0.000 1.181 164 A CA 1.973 53.941 52.037 -0.114 0.000 0.623 164 A CB -1.284 17.299 19.000 -0.695 0.000 0.818 164 A HN 0.330 nan 8.150 nan 0.000 0.443 165 V N -0.119 119.799 119.914 0.007 0.000 2.307 165 V HA -0.250 3.871 4.120 0.002 0.000 0.245 165 V C 2.438 178.542 176.094 0.015 0.000 1.045 165 V CA 2.342 64.683 62.300 0.069 0.000 1.024 165 V CB -0.753 31.187 31.823 0.195 0.000 0.651 165 V HN 0.653 nan 8.190 nan 0.000 0.449 166 E N -0.998 119.184 120.200 -0.030 0.000 2.047 166 E HA -0.138 4.213 4.350 0.002 0.000 0.191 166 E C 0.609 177.060 176.600 -0.249 0.000 0.987 166 E CA 0.848 57.161 56.400 -0.145 0.000 0.799 166 E CB -0.070 29.535 29.700 -0.158 0.000 0.752 166 E HN 0.645 nan 8.360 nan 0.000 0.449 167 H N 1.388 120.265 119.070 -0.322 0.000 2.911 167 H HA 0.119 4.675 4.556 0.001 0.000 0.273 167 H C -0.295 174.950 175.328 -0.138 0.000 1.157 167 H CA -0.257 55.585 56.048 -0.343 0.000 1.402 167 H CB 0.139 29.454 29.762 -0.744 0.000 1.463 167 H HN -0.046 nan 8.280 nan 0.000 0.475 168 K N 1.087 121.436 120.400 -0.085 0.000 1.312 168 K HA -0.155 4.166 4.320 0.002 0.000 0.723 168 K C -2.572 174.043 176.600 0.025 0.000 1.921 168 K CA -0.124 56.150 56.287 -0.022 0.000 1.159 168 K CB -2.034 30.480 32.500 0.022 0.000 2.100 168 K HN 0.502 nan 8.250 nan 0.000 0.497 169 P HA -0.087 nan 4.420 nan 0.000 0.245 169 P C 0.059 177.458 177.300 0.166 0.000 1.123 169 P CA 0.701 63.853 63.100 0.086 0.000 0.853 169 P CB -0.449 31.297 31.700 0.078 0.000 0.786 170 H N 2.731 121.807 119.070 0.010 0.000 2.757 170 H HA 0.063 4.620 4.556 0.002 0.000 0.370 170 H C 0.985 176.326 175.328 0.022 0.000 1.172 170 H CA -0.375 55.676 56.048 0.005 0.000 1.426 170 H CB 0.153 29.908 29.762 -0.011 0.000 1.438 170 H HN 0.181 nan 8.280 nan 0.000 0.612 171 L N 0.820 121.983 121.223 -0.100 0.000 2.079 171 L HA -0.134 4.207 4.340 0.002 0.000 0.210 171 L C 0.878 177.597 176.870 -0.253 0.000 1.081 171 L CA 0.859 55.622 54.840 -0.129 0.000 0.752 171 L CB -0.415 41.596 42.059 -0.081 0.000 0.896 171 L HN 0.412 nan 8.230 nan 0.000 0.433 172 L N 0.985 121.866 121.223 -0.570 0.000 2.513 172 L HA -0.026 4.315 4.340 0.002 0.000 0.272 172 L C 0.554 177.299 176.870 -0.209 0.000 1.187 172 L CA 0.520 55.121 54.840 -0.398 0.000 0.895 172 L CB -0.469 41.325 42.059 -0.443 0.000 1.147 172 L HN 0.182 nan 8.230 nan 0.000 0.483 173 Q N 2.317 122.120 119.800 0.005 0.000 2.392 173 Q HA -0.001 4.341 4.340 0.002 0.000 0.262 173 Q C 0.919 176.986 176.000 0.112 0.000 1.003 173 Q CA -0.041 55.826 55.803 0.106 0.000 0.888 173 Q CB 0.734 29.616 28.738 0.240 0.000 1.260 173 Q HN 0.519 nan 8.270 nan 0.000 0.435 174 D N 0.803 121.283 120.400 0.134 0.000 2.133 174 D HA -0.221 4.420 4.640 0.002 0.000 0.195 174 D C 1.514 177.881 176.300 0.112 0.000 0.997 174 D CA 1.575 55.653 54.000 0.131 0.000 0.840 174 D CB -0.005 40.873 40.800 0.130 0.000 0.947 174 D HN 0.668 nan 8.370 nan 0.000 0.452 175 H N 0.813 119.900 119.070 0.028 0.000 2.352 175 H HA -0.104 4.454 4.556 0.002 0.000 0.299 175 H C 1.902 177.212 175.328 -0.030 0.000 1.097 175 H CA 2.283 58.314 56.048 -0.028 0.000 1.311 175 H CB 0.006 29.689 29.762 -0.131 0.000 1.377 175 H HN 0.097 nan 8.280 nan 0.000 0.504 176 V N -2.336 117.541 119.914 -0.062 0.000 3.608 176 V HA 0.076 4.197 4.120 0.002 0.000 0.269 176 V C 2.232 178.333 176.094 0.011 0.000 1.245 176 V CA 0.949 63.202 62.300 -0.077 0.000 1.138 176 V CB -0.196 31.670 31.823 0.072 0.000 0.841 176 V HN 0.392 nan 8.190 nan 0.000 0.451 177 S N 1.106 116.833 115.700 0.045 0.000 2.363 177 S HA -0.177 4.295 4.470 0.002 0.000 0.218 177 S C 1.923 176.601 174.600 0.130 0.000 1.035 177 S CA 2.311 60.581 58.200 0.117 0.000 1.043 177 S CB -0.408 62.901 63.200 0.181 0.000 0.986 177 S HN 0.484 nan 8.310 nan 0.000 0.423 178 V N 2.240 122.220 119.914 0.110 0.000 2.324 178 V HA -0.226 3.896 4.120 0.002 0.000 0.250 178 V C 2.043 178.201 176.094 0.106 0.000 1.060 178 V CA 2.526 64.888 62.300 0.104 0.000 1.042 178 V CB -1.164 30.733 31.823 0.124 0.000 0.650 178 V HN 0.542 nan 8.190 nan 0.000 0.450 179 D N -0.540 119.927 120.400 0.111 0.000 2.144 179 D HA -0.127 4.515 4.640 0.002 0.000 0.200 179 D C 2.216 178.699 176.300 0.305 0.000 0.978 179 D CA 1.651 55.766 54.000 0.192 0.000 0.833 179 D CB -0.405 40.463 40.800 0.113 0.000 0.961 179 D HN 0.383 nan 8.370 nan 0.000 0.470 180 T N 0.505 115.223 114.554 0.273 0.000 2.812 180 T HA -0.059 4.293 4.350 0.002 0.000 0.264 180 T C 1.985 176.756 174.700 0.118 0.000 1.042 180 T CA 0.757 63.019 62.100 0.270 0.000 1.140 180 T CB -0.110 68.908 68.868 0.251 0.000 0.870 180 T HN 0.127 nan 8.240 nan 0.000 0.445 181 M N 1.256 120.918 119.600 0.103 0.000 2.108 181 M HA -0.057 4.424 4.480 0.002 0.000 0.261 181 M C 2.850 179.155 176.300 0.008 0.000 1.066 181 M CA 1.602 56.937 55.300 0.059 0.000 1.107 181 M CB -0.897 31.746 32.600 0.072 0.000 1.356 181 M HN 0.305 nan 8.290 nan 0.000 0.406 182 A N 0.066 122.899 122.820 0.022 0.000 1.898 182 A HA -0.171 4.150 4.320 0.002 0.000 0.216 182 A C 2.166 179.725 177.584 -0.042 0.000 1.181 182 A CA 1.678 53.710 52.037 -0.009 0.000 0.620 182 A CB -0.528 18.484 19.000 0.021 0.000 0.819 182 A HN 0.437 nan 8.150 nan 0.000 0.442 183 M N 0.027 119.595 119.600 -0.053 0.000 2.156 183 M HA 0.098 4.580 4.480 0.002 0.000 0.264 183 M C 2.155 178.331 176.300 -0.206 0.000 1.067 183 M CA 1.515 56.724 55.300 -0.151 0.000 1.131 183 M CB -0.606 31.762 32.600 -0.386 0.000 1.368 183 M HN 0.359 nan 8.290 nan 0.000 0.416 184 A N -0.396 122.289 122.820 -0.225 0.000 1.908 184 A HA -0.023 4.298 4.320 0.002 0.000 0.218 184 A C 2.343 179.486 177.584 -0.734 0.000 1.181 184 A CA 1.869 53.614 52.037 -0.488 0.000 0.627 184 A CB -1.839 16.943 19.000 -0.362 0.000 0.818 184 A HN 0.599 nan 8.150 nan 0.000 0.445 185 G N -0.838 107.779 108.800 -0.306 0.000 2.440 185 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 185 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 185 G C 1.648 176.501 174.900 -0.078 0.000 1.154 185 G CA 1.211 46.253 45.100 -0.096 0.000 0.767 185 G HN 0.468 nan 8.290 nan 0.000 0.552 186 M N 0.606 120.147 119.600 -0.099 0.000 2.175 186 M HA 0.044 4.525 4.480 0.002 0.000 0.264 186 M C 3.079 179.355 176.300 -0.041 0.000 1.063 186 M CA 1.154 56.431 55.300 -0.038 0.000 1.119 186 M CB -0.222 32.376 32.600 -0.004 0.000 1.377 186 M HN 0.331 nan 8.290 nan 0.000 0.415 187 A N 0.669 123.409 122.820 -0.133 0.000 1.883 187 A HA -0.179 4.142 4.320 0.002 0.000 0.217 187 A C 1.779 179.377 177.584 0.023 0.000 1.186 187 A CA 1.643 53.618 52.037 -0.103 0.000 0.624 187 A CB -0.953 17.936 19.000 -0.186 0.000 0.822 187 A HN 0.379 nan 8.150 nan 0.000 0.444 188 F N 0.347 120.320 119.950 0.037 0.000 2.126 188 F HA -0.137 4.392 4.527 0.003 0.000 0.299 188 F C 2.991 178.805 175.800 0.023 0.000 1.096 188 F CA 0.960 58.980 58.000 0.032 0.000 1.255 188 F CB -1.260 37.756 39.000 0.028 0.000 0.997 188 F HN 0.285 nan 8.300 nan 0.000 0.479 189 S N -0.716 115.104 115.700 0.200 0.000 2.353 189 S HA -0.262 4.209 4.470 0.002 0.000 0.222 189 S C 2.496 177.148 174.600 0.085 0.000 1.035 189 S CA 1.660 59.928 58.200 0.114 0.000 1.025 189 S CB -1.032 62.210 63.200 0.071 0.000 0.902 189 S HN 0.543 nan 8.310 nan 0.000 0.440 190 c N 1.336 119.979 118.600 0.073 0.000 2.413 190 c HA -0.026 4.546 4.570 0.002 0.000 0.276 190 c C 2.560 176.692 174.090 0.070 0.000 1.236 190 c CA 1.216 57.581 56.329 0.059 0.000 1.735 190 c CB -1.787 40.751 42.510 0.046 0.000 2.031 190 c HN 0.707 nan 8.230 nan 0.000 0.474 191 L N 0.515 121.795 121.223 0.095 0.000 2.042 191 L HA -0.169 4.172 4.340 0.002 0.000 0.210 191 L C 2.697 179.611 176.870 0.073 0.000 1.076 191 L CA 2.297 57.194 54.840 0.094 0.000 0.749 191 L CB -0.921 41.220 42.059 0.136 0.000 0.893 191 L HN 0.524 nan 8.230 nan 0.000 0.432 192 E N 0.661 120.908 120.200 0.078 0.000 2.051 192 E HA -0.221 4.131 4.350 0.002 0.000 0.192 192 E C 2.360 178.983 176.600 0.039 0.000 0.991 192 E CA 1.115 57.545 56.400 0.050 0.000 0.799 192 E CB -0.059 29.671 29.700 0.050 0.000 0.748 192 E HN 0.411 nan 8.360 nan 0.000 0.449 193 L N 0.331 121.579 121.223 0.042 0.000 2.131 193 L HA -0.119 4.222 4.340 0.002 0.000 0.210 193 L C 2.315 179.204 176.870 0.032 0.000 1.092 193 L CA 1.035 55.895 54.840 0.033 0.000 0.759 193 L CB -0.017 42.062 42.059 0.033 0.000 0.903 193 L HN 0.082 nan 8.230 nan 0.000 0.435 194 S N -1.178 114.545 115.700 0.038 0.000 2.548 194 S HA 0.007 4.478 4.470 0.002 0.000 0.215 194 S C 0.672 175.290 174.600 0.030 0.000 0.976 194 S CA 0.019 58.241 58.200 0.037 0.000 0.908 194 S CB -0.111 63.117 63.200 0.047 0.000 0.781 194 S HN 0.491 nan 8.310 nan 0.000 0.519 195 N N 0.851 119.567 118.700 0.028 0.000 2.725 195 N HA -0.161 4.580 4.740 0.002 0.000 0.251 195 N C 0.345 175.865 175.510 0.018 0.000 1.031 195 N CA 0.250 53.312 53.050 0.020 0.000 0.720 195 N CB -1.750 36.744 38.487 0.013 0.000 0.930 195 N HN 0.403 nan 8.380 nan 0.000 0.543 196 L N -1.278 119.961 121.223 0.027 0.000 2.270 196 L HA 0.050 4.392 4.340 0.002 0.000 0.210 196 L C 0.188 177.065 176.870 0.012 0.000 1.104 196 L CA 0.816 55.670 54.840 0.023 0.000 0.804 196 L CB -0.064 42.017 42.059 0.037 0.000 0.937 196 L HN 0.288 nan 8.230 nan 0.000 0.450 197 N N -0.425 118.284 118.700 0.014 0.000 2.813 197 N HA 0.130 4.871 4.740 0.002 0.000 0.282 197 N C -1.940 173.566 175.510 -0.006 0.000 1.748 197 N CA -0.979 52.070 53.050 -0.002 0.000 0.860 197 N CB 0.736 39.229 38.487 0.010 0.000 1.204 197 N HN -0.062 nan 8.380 nan 0.000 0.490 198 P HA -0.203 nan 4.420 nan 0.000 0.219 198 P C 0.615 177.907 177.300 -0.013 0.000 1.146 198 P CA 1.172 64.267 63.100 -0.009 0.000 0.808 198 P CB 0.411 32.106 31.700 -0.009 0.000 0.779 199 K N -0.462 119.926 120.400 -0.020 0.000 2.439 199 K HA -0.045 4.277 4.320 0.002 0.000 0.197 199 K C 1.706 178.296 176.600 -0.016 0.000 1.041 199 K CA 0.741 57.017 56.287 -0.019 0.000 0.970 199 K CB 0.027 32.511 32.500 -0.027 0.000 0.773 199 K HN 0.312 nan 8.250 nan 0.000 0.479 200 Q N -0.222 119.568 119.800 -0.016 0.000 2.194 200 Q HA 0.089 4.430 4.340 0.002 0.000 0.214 200 Q C 1.478 177.459 176.000 -0.031 0.000 0.838 200 Q CA -0.160 55.632 55.803 -0.018 0.000 0.972 200 Q CB 0.758 29.491 28.738 -0.009 0.000 1.131 200 Q HN 0.205 nan 8.270 nan 0.000 0.498 201 R N 1.695 122.181 120.500 -0.023 0.000 2.112 201 R HA -0.209 4.132 4.340 0.002 0.000 0.242 201 R C 0.955 177.231 176.300 -0.040 0.000 1.137 201 R CA 2.236 58.322 56.100 -0.025 0.000 0.944 201 R CB 0.154 30.445 30.300 -0.015 0.000 0.857 201 R HN 0.288 nan 8.270 nan 0.000 0.435 202 N N -0.145 118.532 118.700 -0.038 0.000 2.171 202 N HA -0.119 4.623 4.740 0.002 0.000 0.184 202 N C 1.831 177.301 175.510 -0.067 0.000 1.021 202 N CA 1.055 54.078 53.050 -0.044 0.000 0.854 202 N CB -0.317 38.151 38.487 -0.032 0.000 0.994 202 N HN 0.207 nan 8.380 nan 0.000 0.426 203 R N 0.628 121.085 120.500 -0.072 0.000 2.081 203 R HA 0.055 4.396 4.340 0.002 0.000 0.235 203 R C 1.849 178.035 176.300 -0.190 0.000 1.131 203 R CA 0.987 57.026 56.100 -0.101 0.000 0.960 203 R CB -0.236 30.023 30.300 -0.068 0.000 0.856 203 R HN 0.221 nan 8.270 nan 0.000 0.436 204 I N 0.787 121.238 120.570 -0.197 0.000 2.226 204 I HA -0.300 3.871 4.170 0.002 0.000 0.245 204 I C 2.276 178.247 176.117 -0.242 0.000 1.100 204 I CA 1.032 62.145 61.300 -0.312 0.000 1.374 204 I CB -0.442 37.462 38.000 -0.159 0.000 1.057 204 I HN 0.279 nan 8.210 nan 0.000 0.413 205 N N 0.777 119.402 118.700 -0.125 0.000 2.104 205 N HA -0.182 4.559 4.740 0.002 0.000 0.190 205 N C 1.846 177.302 175.510 -0.089 0.000 1.024 205 N CA 1.501 54.504 53.050 -0.078 0.000 0.853 205 N CB -0.069 38.388 38.487 -0.050 0.000 1.008 205 N HN 0.151 nan 8.380 nan 0.000 0.424 206 L N 1.170 122.327 121.223 -0.110 0.000 2.109 206 L HA 0.021 4.362 4.340 0.002 0.000 0.207 206 L C 2.370 179.167 176.870 -0.121 0.000 1.086 206 L CA 1.096 55.876 54.840 -0.100 0.000 0.760 206 L CB -1.171 40.832 42.059 -0.095 0.000 0.910 206 L HN 0.071 nan 8.230 nan 0.000 0.437 207 A N -1.005 121.689 122.820 -0.211 0.000 1.933 207 A HA -0.174 4.147 4.320 0.002 0.000 0.218 207 A C 2.347 179.889 177.584 -0.070 0.000 1.175 207 A CA 1.467 53.359 52.037 -0.242 0.000 0.628 207 A CB -0.683 17.917 19.000 -0.666 0.000 0.814 207 A HN 0.375 nan 8.150 nan 0.000 0.444 208 L N -0.811 120.379 121.223 -0.055 0.000 2.046 208 L HA -0.220 4.121 4.340 0.002 0.000 0.208 208 L C 2.649 179.543 176.870 0.040 0.000 1.077 208 L CA 2.006 56.900 54.840 0.090 0.000 0.747 208 L CB -0.298 41.804 42.059 0.072 0.000 0.896 208 L HN 0.477 nan 8.230 nan 0.000 0.432 209 K N 0.131 120.527 120.400 -0.006 0.000 2.097 209 K HA -0.206 4.115 4.320 0.002 0.000 0.206 209 K C 2.266 178.855 176.600 -0.019 0.000 1.049 209 K CA 1.352 57.629 56.287 -0.017 0.000 0.933 209 K CB -0.177 32.305 32.500 -0.030 0.000 0.717 209 K HN 0.015 nan 8.250 nan 0.000 0.442 210 R N 0.114 120.602 120.500 -0.021 0.000 2.075 210 R HA -0.054 4.287 4.340 0.002 0.000 0.232 210 R C 2.041 178.340 176.300 -0.002 0.000 1.126 210 R CA 1.407 57.493 56.100 -0.023 0.000 0.963 210 R CB -0.278 30.001 30.300 -0.035 0.000 0.858 210 R HN 0.137 nan 8.270 nan 0.000 0.435 211 V N 1.184 121.125 119.914 0.046 0.000 2.343 211 V HA -0.288 3.834 4.120 0.002 0.000 0.247 211 V C 2.555 178.642 176.094 -0.011 0.000 1.051 211 V CA 2.058 64.390 62.300 0.053 0.000 1.036 211 V CB -0.552 31.346 31.823 0.124 0.000 0.654 211 V HN 0.458 nan 8.190 nan 0.000 0.451 212 Q N -0.150 119.637 119.800 -0.022 0.000 2.061 212 Q HA -0.278 4.063 4.340 0.002 0.000 0.204 212 Q C 2.235 178.191 176.000 -0.073 0.000 0.984 212 Q CA 2.228 57.991 55.803 -0.066 0.000 0.846 212 Q CB -0.121 28.588 28.738 -0.049 0.000 0.902 212 Q HN 0.729 nan 8.270 nan 0.000 0.421 213 E N 0.059 120.230 120.200 -0.048 0.000 2.058 213 E HA -0.204 4.148 4.350 0.002 0.000 0.194 213 E C 2.102 178.670 176.600 -0.052 0.000 0.997 213 E CA 1.377 57.750 56.400 -0.045 0.000 0.801 213 E CB 0.078 29.752 29.700 -0.044 0.000 0.746 213 E HN 0.278 nan 8.360 nan 0.000 0.450 214 K N 0.372 120.734 120.400 -0.063 0.000 2.097 214 K HA -0.094 4.227 4.320 0.002 0.000 0.205 214 K C 2.232 178.803 176.600 -0.049 0.000 1.050 214 K CA 0.836 57.076 56.287 -0.079 0.000 0.938 214 K CB -0.196 32.243 32.500 -0.101 0.000 0.718 214 K HN 0.215 nan 8.250 nan 0.000 0.442 215 I N 1.540 122.066 120.570 -0.073 0.000 2.179 215 I HA -0.289 3.882 4.170 0.002 0.000 0.242 215 I C 2.400 178.472 176.117 -0.076 0.000 1.088 215 I CA 1.166 62.392 61.300 -0.123 0.000 1.357 215 I CB -0.343 37.482 38.000 -0.291 0.000 1.051 215 I HN 0.071 nan 8.210 nan 0.000 0.409 216 L N 0.758 121.934 121.223 -0.078 0.000 2.042 216 L HA -0.251 4.091 4.340 0.002 0.000 0.210 216 L C 2.687 179.632 176.870 0.125 0.000 1.076 216 L CA 1.454 56.344 54.840 0.083 0.000 0.749 216 L CB -0.843 41.243 42.059 0.044 0.000 0.893 216 L HN 0.327 nan 8.230 nan 0.000 0.432 217 K N 1.196 121.627 120.400 0.052 0.000 2.152 217 K HA -0.192 4.129 4.320 0.002 0.000 0.206 217 K C 1.711 178.355 176.600 0.074 0.000 1.048 217 K CA 1.635 57.946 56.287 0.041 0.000 0.933 217 K CB -0.012 32.483 32.500 -0.009 0.000 0.721 217 K HN 0.291 nan 8.250 nan 0.000 0.447 218 A N 1.215 124.101 122.820 0.109 0.000 2.238 218 A HA -0.018 4.303 4.320 0.002 0.000 0.208 218 A C 0.817 178.522 177.584 0.201 0.000 1.177 218 A CA -0.100 52.022 52.037 0.143 0.000 0.804 218 A CB -0.249 18.838 19.000 0.144 0.000 0.823 218 A HN 0.534 nan 8.150 nan 0.000 0.482 219 Q N 1.549 121.494 119.800 0.241 0.000 2.300 219 Q HA 0.241 4.582 4.340 0.002 0.000 0.280 219 Q C 0.478 176.509 176.000 0.051 0.000 1.033 219 Q CA 0.396 56.289 55.803 0.151 0.000 0.903 219 Q CB 0.485 29.287 28.738 0.107 0.000 1.195 219 Q HN 0.526 nan 8.270 nan 0.000 0.386 220 T N 0.967 115.528 114.554 0.012 0.000 2.874 220 T HA 0.335 4.686 4.350 0.002 0.000 0.281 220 T C -1.883 172.778 174.700 -0.066 0.000 0.994 220 T CA -1.692 60.412 62.100 0.006 0.000 1.015 220 T CB 0.899 69.804 68.868 0.061 0.000 1.028 220 T HN 0.462 nan 8.240 nan 0.000 0.523 221 P HA -0.048 nan 4.420 nan 0.000 0.219 221 P C 0.972 178.189 177.300 -0.137 0.000 1.146 221 P CA 0.949 64.005 63.100 -0.073 0.000 0.808 221 P CB -0.021 31.654 31.700 -0.040 0.000 0.779 222 E N -1.439 118.642 120.200 -0.198 0.000 2.268 222 E HA 0.067 4.418 4.350 0.002 0.000 0.195 222 E C 1.657 177.945 176.600 -0.520 0.000 0.995 222 E CA 1.208 57.383 56.400 -0.374 0.000 0.836 222 E CB -0.792 28.584 29.700 -0.539 0.000 0.763 222 E HN 0.257 nan 8.360 nan 0.000 0.491 223 G N -1.063 107.473 108.800 -0.440 0.000 2.184 223 G HA2 -0.248 3.714 3.960 0.002 0.000 0.206 223 G HA3 -0.248 3.714 3.960 0.002 0.000 0.206 223 G C -0.372 174.220 174.900 -0.513 0.000 0.995 223 G CA -0.258 44.579 45.100 -0.438 0.000 0.651 223 G HN 0.147 nan 8.290 nan 0.000 0.511 224 Y N 0.244 120.402 120.300 -0.237 0.000 2.397 224 Y HA 0.574 5.125 4.550 0.002 0.000 0.335 224 Y C 0.752 176.495 175.900 -0.263 0.000 1.213 224 Y CA -1.045 56.915 58.100 -0.234 0.000 1.391 224 Y CB 0.186 38.590 38.460 -0.093 0.000 1.293 224 Y HN 0.041 nan 8.280 nan 0.000 0.557 225 F N 2.287 122.345 119.950 0.180 0.000 2.439 225 F HA 0.405 4.933 4.527 0.002 0.000 0.356 225 F C 1.203 177.068 175.800 0.109 0.000 1.161 225 F CA 0.147 58.215 58.000 0.112 0.000 1.151 225 F CB 0.112 39.160 39.000 0.081 0.000 1.222 225 F HN 0.806 nan 8.300 nan 0.000 0.558 226 G N 3.058 112.013 108.800 0.260 0.000 5.426 226 G HA2 -0.354 3.607 3.960 0.002 0.000 0.297 226 G HA3 -0.354 3.607 3.960 0.002 0.000 0.297 226 G C 0.061 175.042 174.900 0.135 0.000 1.422 226 G CA 0.484 45.686 45.100 0.170 0.000 0.938 226 G HN 0.886 nan 8.290 nan 0.000 0.754 227 N N -1.522 117.231 118.700 0.088 0.000 2.972 227 N HA 0.573 5.314 4.740 0.002 0.000 0.262 227 N C 0.666 176.011 175.510 -0.275 0.000 1.478 227 N CA 0.496 53.509 53.050 -0.060 0.000 0.841 227 N CB 1.177 39.630 38.487 -0.056 0.000 1.512 227 N HN 1.020 nan 8.380 nan 0.000 0.548 228 V N -0.091 119.311 119.914 -0.852 0.000 2.392 228 V HA -0.203 3.918 4.120 0.002 0.000 0.249 228 V C 1.076 176.927 176.094 -0.405 0.000 1.059 228 V CA 1.731 63.462 62.300 -0.948 0.000 1.051 228 V CB -0.930 30.124 31.823 -1.282 0.000 0.658 228 V HN 0.618 nan 8.190 nan 0.000 0.455 229 Y N 0.792 120.983 120.300 -0.183 0.000 2.516 229 Y HA 0.013 4.564 4.550 0.002 0.000 0.291 229 Y C 2.610 178.531 175.900 0.036 0.000 1.131 229 Y CA 1.079 59.132 58.100 -0.079 0.000 1.281 229 Y CB -0.428 37.922 38.460 -0.184 0.000 1.013 229 Y HN 0.412 nan 8.280 nan 0.000 0.554 230 S N -2.146 113.639 115.700 0.142 0.000 2.524 230 S HA -0.050 4.422 4.470 0.002 0.000 0.216 230 S C 1.816 176.529 174.600 0.189 0.000 0.987 230 S CA 0.709 58.997 58.200 0.146 0.000 0.909 230 S CB -0.439 62.828 63.200 0.110 0.000 0.781 230 S HN 0.332 nan 8.310 nan 0.000 0.521 231 T N 3.665 118.342 114.554 0.205 0.000 2.746 231 T HA -0.025 4.326 4.350 0.002 0.000 0.267 231 T C -0.736 174.092 174.700 0.213 0.000 1.039 231 T CA 1.388 63.648 62.100 0.267 0.000 1.142 231 T CB -1.377 67.629 68.868 0.229 0.000 0.866 231 T HN 0.364 nan 8.240 nan 0.000 0.444 232 P HA 0.003 nan 4.420 nan 0.000 0.215 232 P C 1.657 178.982 177.300 0.040 0.000 1.157 232 P CA 0.796 63.943 63.100 0.078 0.000 0.868 232 P CB -0.167 31.573 31.700 0.066 0.000 0.788 233 L N -0.973 120.289 121.223 0.065 0.000 2.012 233 L HA -0.234 4.107 4.340 0.002 0.000 0.210 233 L C 2.441 179.319 176.870 0.013 0.000 1.073 233 L CA 1.848 56.703 54.840 0.025 0.000 0.748 233 L CB -1.167 40.951 42.059 0.098 0.000 0.891 233 L HN -0.020 nan 8.230 nan 0.000 0.431 234 A N -0.111 122.743 122.820 0.057 0.000 1.908 234 A HA -0.193 4.128 4.320 0.002 0.000 0.218 234 A C 2.197 179.763 177.584 -0.029 0.000 1.181 234 A CA 1.505 53.533 52.037 -0.015 0.000 0.627 234 A CB -0.656 18.345 19.000 0.002 0.000 0.818 234 A HN 0.399 nan 8.150 nan 0.000 0.445 235 L N -0.989 120.274 121.223 0.068 0.000 2.156 235 L HA -0.194 4.147 4.340 0.002 0.000 0.208 235 L C 2.838 179.699 176.870 -0.014 0.000 1.095 235 L CA 1.025 55.899 54.840 0.057 0.000 0.770 235 L CB -0.521 41.595 42.059 0.096 0.000 0.914 235 L HN 0.487 nan 8.230 nan 0.000 0.439 236 Q N -0.171 119.598 119.800 -0.052 0.000 2.112 236 Q HA -0.266 4.075 4.340 0.002 0.000 0.206 236 Q C 2.324 178.276 176.000 -0.079 0.000 0.987 236 Q CA 1.590 57.331 55.803 -0.104 0.000 0.858 236 Q CB -0.150 28.466 28.738 -0.204 0.000 0.905 236 Q HN 0.501 nan 8.270 nan 0.000 0.420 237 L N 0.481 121.663 121.223 -0.068 0.000 2.023 237 L HA -0.145 4.196 4.340 0.002 0.000 0.205 237 L C 2.138 178.979 176.870 -0.049 0.000 1.073 237 L CA 1.288 56.095 54.840 -0.055 0.000 0.745 237 L CB -0.329 41.694 42.059 -0.060 0.000 0.900 237 L HN 0.302 nan 8.230 nan 0.000 0.435 238 L N -0.076 121.108 121.223 -0.066 0.000 2.275 238 L HA -0.221 4.121 4.340 0.002 0.000 0.215 238 L C 2.766 179.620 176.870 -0.025 0.000 1.119 238 L CA 1.169 55.973 54.840 -0.060 0.000 0.790 238 L CB -0.428 41.574 42.059 -0.095 0.000 0.919 238 L HN 0.458 nan 8.230 nan 0.000 0.443 239 M N -1.111 118.477 119.600 -0.019 0.000 2.460 239 M HA 0.049 4.530 4.480 0.002 0.000 0.263 239 M C 1.683 177.975 176.300 -0.013 0.000 1.071 239 M CA 1.728 57.021 55.300 -0.012 0.000 1.096 239 M CB -0.737 31.852 32.600 -0.017 0.000 1.408 239 M HN 0.057 nan 8.290 nan 0.000 0.463 240 G N 0.426 109.217 108.800 -0.015 0.000 3.061 240 G HA2 0.269 4.230 3.960 0.002 0.000 0.208 240 G HA3 0.269 4.230 3.960 0.002 0.000 0.208 240 G C 0.415 175.313 174.900 -0.003 0.000 1.175 240 G CA 0.361 45.456 45.100 -0.007 0.000 0.812 240 G HN 0.628 nan 8.290 nan 0.000 0.523 241 S N -1.252 114.445 115.700 -0.006 0.000 4.054 241 S HA -0.315 4.157 4.470 0.002 0.000 0.618 241 S C 1.147 175.746 174.600 -0.002 0.000 2.026 241 S CA 1.010 59.208 58.200 -0.003 0.000 4.205 241 S CB -1.019 62.180 63.200 -0.001 0.000 0.233 241 S HN 1.107 nan 8.310 nan 0.000 0.612 242 L N -1.955 119.268 121.223 0.000 0.000 4.190 242 L HA -0.176 4.166 4.340 0.002 0.000 0.065 242 L C 0.056 176.925 176.870 -0.002 0.000 4.153 242 L CA 1.483 56.324 54.840 0.001 0.000 0.763 242 L CB -0.592 41.469 42.059 0.003 0.000 3.453 242 L HN 0.607 nan 8.230 nan 0.000 1.069 243 R N 1.397 121.895 120.500 -0.005 0.000 2.505 243 R HA 0.352 4.693 4.340 0.002 0.000 0.284 243 R C -2.442 173.855 176.300 -0.005 0.000 1.324 243 R CA -1.349 54.748 56.100 -0.007 0.000 1.432 243 R CB 0.663 30.958 30.300 -0.010 0.000 1.107 243 R HN 0.113 nan 8.270 nan 0.000 0.587 244 P HA 0.046 nan 4.420 nan 0.000 0.276 244 P C -0.652 176.648 177.300 0.000 0.000 1.264 244 P CA -0.075 63.025 63.100 -0.000 0.000 0.769 244 P CB 1.446 33.147 31.700 0.000 0.000 0.840 245 S N 1.449 117.150 115.700 0.002 0.000 2.638 245 S HA 0.354 4.825 4.470 0.002 0.000 0.302 245 S C 1.031 175.636 174.600 0.008 0.000 1.096 245 S CA -0.773 57.429 58.200 0.003 0.000 0.953 245 S CB 1.180 64.382 63.200 0.002 0.000 1.107 245 S HN 0.052 nan 8.310 nan 0.000 0.503 246 V N 1.281 121.199 119.914 0.007 0.000 2.515 246 V HA -0.097 4.024 4.120 0.002 0.000 0.250 246 V C 2.487 178.591 176.094 0.016 0.000 1.058 246 V CA 2.138 64.444 62.300 0.009 0.000 1.064 246 V CB -1.223 30.603 31.823 0.006 0.000 0.675 246 V HN 0.903 nan 8.190 nan 0.000 0.461 247 E N 0.005 120.215 120.200 0.016 0.000 2.051 247 E HA -0.222 4.129 4.350 0.002 0.000 0.192 247 E C 1.973 178.598 176.600 0.042 0.000 0.991 247 E CA 1.249 57.664 56.400 0.025 0.000 0.799 247 E CB -0.372 29.341 29.700 0.021 0.000 0.748 247 E HN 0.437 nan 8.360 nan 0.000 0.449 248 L N 0.230 121.475 121.223 0.036 0.000 2.017 248 L HA -0.012 4.329 4.340 0.002 0.000 0.208 248 L C 2.119 179.027 176.870 0.063 0.000 1.073 248 L CA 2.346 57.215 54.840 0.048 0.000 0.745 248 L CB -1.081 40.989 42.059 0.019 0.000 0.894 248 L HN 0.175 nan 8.230 nan 0.000 0.432 249 G N -1.701 107.123 108.800 0.040 0.000 2.446 249 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 249 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 249 G C 1.432 176.356 174.900 0.040 0.000 1.168 249 G CA 1.338 46.459 45.100 0.036 0.000 0.771 249 G HN 0.451 nan 8.290 nan 0.000 0.551 250 T N 1.604 116.179 114.554 0.035 0.000 2.746 250 T HA 0.044 4.395 4.350 0.002 0.000 0.267 250 T C 2.811 177.532 174.700 0.035 0.000 1.039 250 T CA 1.500 63.614 62.100 0.025 0.000 1.142 250 T CB -0.367 68.510 68.868 0.016 0.000 0.866 250 T HN 0.389 nan 8.240 nan 0.000 0.444 251 A N 0.608 123.477 122.820 0.081 0.000 1.877 251 A HA -0.128 4.193 4.320 0.002 0.000 0.216 251 A C 2.706 180.378 177.584 0.148 0.000 1.186 251 A CA 1.485 53.605 52.037 0.138 0.000 0.620 251 A CB -1.331 17.848 19.000 0.297 0.000 0.822 251 A HN 0.614 nan 8.150 nan 0.000 0.443 252 c N -0.797 117.919 118.600 0.192 0.000 2.425 252 c HA -0.015 4.556 4.570 0.002 0.000 0.277 252 c C 2.650 176.774 174.090 0.057 0.000 1.280 252 c CA 0.901 57.336 56.329 0.177 0.000 1.744 252 c CB -1.449 41.146 42.510 0.142 0.000 1.989 252 c HN 0.622 nan 8.230 nan 0.000 0.491 253 L N 0.420 121.658 121.223 0.025 0.000 2.046 253 L HA -0.183 4.158 4.340 0.002 0.000 0.208 253 L C 2.643 179.487 176.870 -0.044 0.000 1.077 253 L CA 1.589 56.424 54.840 -0.008 0.000 0.747 253 L CB -0.609 41.445 42.059 -0.008 0.000 0.896 253 L HN 0.400 nan 8.230 nan 0.000 0.432 254 K N -0.143 120.214 120.400 -0.071 0.000 2.097 254 K HA -0.116 4.205 4.320 0.002 0.000 0.205 254 K C 2.210 178.693 176.600 -0.195 0.000 1.050 254 K CA 1.297 57.506 56.287 -0.130 0.000 0.938 254 K CB -0.170 32.242 32.500 -0.146 0.000 0.718 254 K HN 0.273 nan 8.250 nan 0.000 0.442 255 A N 1.905 124.583 122.820 -0.236 0.000 1.897 255 A HA -0.152 4.169 4.320 0.002 0.000 0.215 255 A C 1.886 179.408 177.584 -0.102 0.000 1.181 255 A CA 1.316 53.176 52.037 -0.294 0.000 0.620 255 A CB -0.215 18.495 19.000 -0.484 0.000 0.821 255 A HN 0.156 nan 8.150 nan 0.000 0.443 256 K N -0.134 120.239 120.400 -0.045 0.000 2.057 256 K HA -0.085 4.236 4.320 0.002 0.000 0.207 256 K C 2.321 178.903 176.600 -0.031 0.000 1.049 256 K CA 1.150 57.427 56.287 -0.017 0.000 0.931 256 K CB -0.358 32.138 32.500 -0.006 0.000 0.714 256 K HN 0.427 nan 8.250 nan 0.000 0.440 257 A N 1.669 124.459 122.820 -0.051 0.000 1.908 257 A HA -0.159 4.162 4.320 0.002 0.000 0.218 257 A C 2.400 179.950 177.584 -0.056 0.000 1.181 257 A CA 2.000 54.005 52.037 -0.054 0.000 0.627 257 A CB -0.710 18.251 19.000 -0.065 0.000 0.818 257 A HN 0.352 nan 8.150 nan 0.000 0.445 258 A N -0.790 121.970 122.820 -0.100 0.000 1.898 258 A HA 0.016 4.337 4.320 0.002 0.000 0.216 258 A C 2.120 179.766 177.584 0.104 0.000 1.181 258 A CA 1.674 53.639 52.037 -0.119 0.000 0.620 258 A CB -0.595 18.142 19.000 -0.440 0.000 0.819 258 A HN 0.598 nan 8.150 nan 0.000 0.442 259 L N -0.169 121.120 121.223 0.110 0.000 2.046 259 L HA -0.189 4.152 4.340 0.002 0.000 0.208 259 L C 2.508 179.417 176.870 0.065 0.000 1.077 259 L CA 2.083 57.005 54.840 0.138 0.000 0.747 259 L CB -0.709 41.394 42.059 0.074 0.000 0.896 259 L HN 0.423 nan 8.230 nan 0.000 0.432 260 Q N -0.630 119.178 119.800 0.013 0.000 2.084 260 Q HA -0.167 4.175 4.340 0.002 0.000 0.202 260 Q C 2.245 178.231 176.000 -0.024 0.000 0.978 260 Q CA 1.715 57.506 55.803 -0.019 0.000 0.844 260 Q CB -0.465 28.254 28.738 -0.030 0.000 0.898 260 Q HN 0.666 nan 8.270 nan 0.000 0.426 261 A N 1.417 124.237 122.820 0.001 0.000 1.902 261 A HA -0.200 4.121 4.320 0.002 0.000 0.217 261 A C 2.374 179.961 177.584 0.005 0.000 1.181 261 A CA 2.066 54.102 52.037 -0.002 0.000 0.623 261 A CB -0.671 18.361 19.000 0.054 0.000 0.818 261 A HN 0.480 nan 8.150 nan 0.000 0.443 262 S N -0.568 115.216 115.700 0.139 0.000 2.382 262 S HA -0.109 4.363 4.470 0.002 0.000 0.228 262 S C 1.725 176.404 174.600 0.131 0.000 1.027 262 S CA 1.494 59.828 58.200 0.223 0.000 0.991 262 S CB -0.450 62.900 63.200 0.251 0.000 0.823 262 S HN 0.207 nan 8.310 nan 0.000 0.469 263 L N 1.606 122.866 121.223 0.062 0.000 2.191 263 L HA 0.094 4.435 4.340 0.002 0.000 0.212 263 L C 2.543 179.374 176.870 -0.065 0.000 1.103 263 L CA 1.368 56.225 54.840 0.028 0.000 0.769 263 L CB -1.396 40.643 42.059 -0.035 0.000 0.908 263 L HN 0.365 nan 8.230 nan 0.000 0.438 264 Q N -0.849 118.813 119.800 -0.230 0.000 2.500 264 Q HA -0.111 4.230 4.340 0.002 0.000 0.213 264 Q C 0.641 176.390 176.000 -0.419 0.000 0.974 264 Q CA 0.914 56.497 55.803 -0.367 0.000 0.918 264 Q CB -0.408 28.027 28.738 -0.505 0.000 0.980 264 Q HN 0.663 nan 8.270 nan 0.000 0.505 265 H N -0.954 118.151 119.070 0.059 0.000 2.510 265 H HA 0.266 4.823 4.556 0.002 0.000 0.266 265 H C -0.060 175.306 175.328 0.063 0.000 1.146 265 H CA -0.398 55.681 56.048 0.052 0.000 0.993 265 H CB 0.630 30.420 29.762 0.046 0.000 1.727 265 H HN -0.038 nan 8.280 nan 0.000 0.590 266 K N 0.549 121.034 120.400 0.143 0.000 3.069 266 K HA -0.251 4.070 4.320 0.002 0.000 0.267 266 K C 0.300 177.001 176.600 0.167 0.000 1.082 266 K CA 0.780 57.150 56.287 0.138 0.000 0.782 266 K CB -1.249 31.314 32.500 0.105 0.000 1.230 266 K HN 0.434 nan 8.250 nan 0.000 0.488 267 T N -0.028 114.648 114.554 0.204 0.000 2.759 267 T HA -0.125 4.226 4.350 0.002 0.000 0.269 267 T C 0.594 175.376 174.700 0.136 0.000 1.042 267 T CA 1.326 63.514 62.100 0.146 0.000 1.140 267 T CB -0.167 68.759 68.868 0.097 0.000 0.864 267 T HN 0.255 nan 8.240 nan 0.000 0.455 268 F N 2.214 122.249 119.950 0.142 0.000 2.335 268 F HA 0.353 4.881 4.527 0.002 0.000 0.365 268 F C 1.313 177.181 175.800 0.113 0.000 1.122 268 F CA -0.776 57.331 58.000 0.177 0.000 1.151 268 F CB 0.911 39.991 39.000 0.133 0.000 1.282 268 F HN -0.095 nan 8.300 nan 0.000 0.513 269 Q N 0.673 120.585 119.800 0.186 0.000 2.423 269 Q HA 0.032 4.374 4.340 0.002 0.000 0.231 269 Q C 0.600 176.657 176.000 0.094 0.000 0.894 269 Q CA 0.189 56.071 55.803 0.132 0.000 0.938 269 Q CB 0.005 28.799 28.738 0.094 0.000 1.079 269 Q HN 0.533 nan 8.270 nan 0.000 0.552 270 N N 2.661 121.381 118.700 0.034 0.000 2.468 270 N HA -0.005 4.736 4.740 0.002 0.000 0.265 270 N C -2.005 173.476 175.510 -0.049 0.000 1.199 270 N CA -1.178 51.849 53.050 -0.037 0.000 0.928 270 N CB 1.741 40.155 38.487 -0.122 0.000 1.059 270 N HN -0.177 nan 8.380 nan 0.000 0.467 271 P HA -0.142 nan 4.420 nan 0.000 0.215 271 P C 1.617 178.823 177.300 -0.157 0.000 1.153 271 P CA 0.820 63.760 63.100 -0.268 0.000 0.853 271 P CB 0.231 31.466 31.700 -0.775 0.000 0.788 272 L N -1.968 119.163 121.223 -0.154 0.000 2.083 272 L HA -0.150 4.191 4.340 0.002 0.000 0.209 272 L C 2.217 179.108 176.870 0.034 0.000 1.083 272 L CA 1.751 56.557 54.840 -0.056 0.000 0.752 272 L CB -0.660 41.363 42.059 -0.060 0.000 0.899 272 L HN -0.126 nan 8.230 nan 0.000 0.433 273 M N -0.484 119.150 119.600 0.056 0.000 2.080 273 M HA -0.224 4.257 4.480 0.002 0.000 0.260 273 M C 2.388 178.862 176.300 0.291 0.000 1.068 273 M CA 1.922 57.353 55.300 0.219 0.000 1.109 273 M CB -1.041 31.691 32.600 0.219 0.000 1.342 273 M HN 0.302 nan 8.290 nan 0.000 0.405 274 I N 0.333 121.030 120.570 0.212 0.000 2.264 274 I HA -0.310 3.861 4.170 0.002 0.000 0.248 274 I C 2.604 178.743 176.117 0.038 0.000 1.111 274 I CA 1.659 63.025 61.300 0.110 0.000 1.382 274 I CB -0.551 37.497 38.000 0.081 0.000 1.060 274 I HN 0.373 nan 8.210 nan 0.000 0.418 275 S N 0.291 116.015 115.700 0.041 0.000 2.423 275 S HA -0.207 4.264 4.470 0.002 0.000 0.231 275 S C 1.870 176.514 174.600 0.073 0.000 1.014 275 S CA 0.949 59.174 58.200 0.042 0.000 0.965 275 S CB -0.330 62.897 63.200 0.044 0.000 0.785 275 S HN 0.536 nan 8.310 nan 0.000 0.495 276 Q N -0.254 119.599 119.800 0.087 0.000 2.269 276 Q HA 0.211 4.552 4.340 0.002 0.000 0.201 276 Q C 2.027 178.011 176.000 -0.027 0.000 0.946 276 Q CA 0.741 56.577 55.803 0.055 0.000 0.877 276 Q CB -0.165 28.644 28.738 0.118 0.000 0.963 276 Q HN 0.541 nan 8.270 nan 0.000 0.472 277 L N 0.186 121.388 121.223 -0.036 0.000 2.127 277 L HA -0.019 4.323 4.340 0.002 0.000 0.203 277 L C 1.834 178.623 176.870 -0.135 0.000 1.080 277 L CA 1.264 56.016 54.840 -0.146 0.000 0.768 277 L CB -0.246 41.597 42.059 -0.359 0.000 0.924 277 L HN 0.134 nan 8.230 nan 0.000 0.444 278 L N 0.026 121.191 121.223 -0.097 0.000 2.042 278 L HA -0.159 4.182 4.340 0.002 0.000 0.210 278 L C -0.214 176.609 176.870 -0.078 0.000 1.076 278 L CA 1.407 56.197 54.840 -0.084 0.000 0.749 278 L CB -1.831 40.192 42.059 -0.060 0.000 0.893 278 L HN 0.269 nan 8.230 nan 0.000 0.432 279 P HA -0.146 nan 4.420 nan 0.000 0.215 279 P C 1.932 179.179 177.300 -0.088 0.000 1.157 279 P CA 1.229 64.281 63.100 -0.080 0.000 0.868 279 P CB -0.009 31.630 31.700 -0.103 0.000 0.788 280 V N -0.343 119.509 119.914 -0.103 0.000 2.324 280 V HA -0.233 3.888 4.120 0.002 0.000 0.250 280 V C 2.358 178.408 176.094 -0.072 0.000 1.060 280 V CA 1.694 63.943 62.300 -0.086 0.000 1.042 280 V CB -1.422 30.352 31.823 -0.082 0.000 0.650 280 V HN 0.089 nan 8.190 nan 0.000 0.450 281 L N 0.198 121.371 121.223 -0.083 0.000 2.465 281 L HA -0.021 4.320 4.340 0.002 0.000 0.224 281 L C 1.714 178.549 176.870 -0.058 0.000 1.145 281 L CA 1.055 55.851 54.840 -0.074 0.000 0.834 281 L CB -0.497 41.509 42.059 -0.089 0.000 0.944 281 L HN 0.379 nan 8.230 nan 0.000 0.451 282 N N 0.053 118.719 118.700 -0.057 0.000 2.234 282 N HA 0.048 4.789 4.740 0.002 0.000 0.227 282 N C -0.236 175.248 175.510 -0.043 0.000 1.151 282 N CA -0.155 52.867 53.050 -0.047 0.000 0.865 282 N CB 0.249 38.707 38.487 -0.048 0.000 1.066 282 N HN 0.011 nan 8.380 nan 0.000 0.515 283 Q N -0.721 119.052 119.800 -0.044 0.000 2.468 283 Q HA -0.220 4.121 4.340 0.002 0.000 0.289 283 Q C -1.038 174.938 176.000 -0.040 0.000 1.299 283 Q CA 1.091 56.871 55.803 -0.038 0.000 0.838 283 Q CB -1.611 27.110 28.738 -0.029 0.000 1.195 283 Q HN 0.422 nan 8.270 nan 0.000 0.456 284 K N -0.249 120.120 120.400 -0.052 0.000 2.435 284 K HA 0.802 5.123 4.320 0.002 0.000 0.251 284 K C -0.329 176.221 176.600 -0.083 0.000 0.954 284 K CA -0.339 55.917 56.287 -0.052 0.000 0.820 284 K CB 2.171 34.646 32.500 -0.042 0.000 1.292 284 K HN 0.186 nan 8.250 nan 0.000 0.436 285 S N -0.336 115.318 115.700 -0.077 0.000 2.697 285 S HA 0.302 4.773 4.470 0.002 0.000 0.289 285 S C 0.453 175.033 174.600 -0.035 0.000 1.149 285 S CA -0.674 57.441 58.200 -0.142 0.000 0.850 285 S CB 0.263 63.395 63.200 -0.113 0.000 1.151 285 S HN 0.555 nan 8.310 nan 0.000 0.491 286 Y N 0.507 120.789 120.300 -0.030 0.000 2.384 286 Y HA -0.031 4.520 4.550 0.002 0.000 0.289 286 Y C 2.397 178.271 175.900 -0.044 0.000 1.152 286 Y CA 0.427 58.504 58.100 -0.039 0.000 1.258 286 Y CB -1.242 37.195 38.460 -0.039 0.000 0.979 286 Y HN 0.460 nan 8.280 nan 0.000 0.549 287 V N -0.078 119.897 119.914 0.101 0.000 2.809 287 V HA -0.204 3.917 4.120 0.002 0.000 0.256 287 V C 1.724 177.833 176.094 0.024 0.000 1.080 287 V CA 1.584 63.913 62.300 0.048 0.000 1.102 287 V CB -0.408 31.432 31.823 0.028 0.000 0.705 287 V HN 0.348 nan 8.190 nan 0.000 0.475 288 D N 0.336 120.748 120.400 0.019 0.000 2.350 288 D HA -0.075 4.566 4.640 0.002 0.000 0.216 288 D C 1.886 178.175 176.300 -0.018 0.000 0.968 288 D CA 0.865 54.864 54.000 -0.001 0.000 0.894 288 D CB 0.077 40.873 40.800 -0.006 0.000 0.909 288 D HN 0.391 nan 8.370 nan 0.000 0.520 289 L N 0.486 121.700 121.223 -0.015 0.000 2.551 289 L HA -0.020 4.321 4.340 0.002 0.000 0.228 289 L C 2.283 179.080 176.870 -0.122 0.000 1.153 289 L CA 0.001 54.796 54.840 -0.076 0.000 0.851 289 L CB -0.149 41.862 42.059 -0.079 0.000 0.959 289 L HN 0.002 nan 8.230 nan 0.000 0.451 290 I N -0.479 120.053 120.570 -0.063 0.000 2.179 290 I HA -0.211 3.960 4.170 0.002 0.000 0.242 290 I C 0.658 176.746 176.117 -0.047 0.000 1.088 290 I CA 1.223 62.498 61.300 -0.041 0.000 1.357 290 I CB -0.039 37.964 38.000 0.004 0.000 1.051 290 I HN 0.294 nan 8.210 nan 0.000 0.409 291 S N 1.040 116.715 115.700 -0.042 0.000 2.383 291 S HA 0.400 4.872 4.470 0.002 0.000 0.196 291 S C -2.318 172.253 174.600 -0.049 0.000 1.364 291 S CA -1.203 56.974 58.200 -0.039 0.000 1.212 291 S CB 0.625 63.827 63.200 0.004 0.000 1.171 291 S HN 0.019 nan 8.310 nan 0.000 0.456 292 P HA 0.368 nan 4.420 nan 0.000 0.274 292 P C -1.097 176.173 177.300 -0.049 0.000 1.237 292 P CA -0.082 62.977 63.100 -0.068 0.000 0.793 292 P CB 0.683 32.324 31.700 -0.098 0.000 0.977 293 D N 1.014 121.391 120.400 -0.039 0.000 2.460 293 D HA 0.166 4.808 4.640 0.002 0.000 0.232 293 D C 0.117 176.399 176.300 -0.029 0.000 1.079 293 D CA -0.500 53.483 54.000 -0.028 0.000 0.864 293 D CB -0.096 40.691 40.800 -0.021 0.000 1.048 293 D HN 0.165 nan 8.370 nan 0.000 0.523 294 c N 2.947 121.531 118.600 -0.026 0.000 2.697 294 c HA 0.113 4.684 4.570 0.002 0.000 0.267 294 c C 1.986 176.069 174.090 -0.012 0.000 1.278 294 c CA -0.177 56.140 56.329 -0.021 0.000 1.708 294 c CB -0.537 41.964 42.510 -0.015 0.000 1.860 294 c HN 0.625 nan 8.230 nan 0.000 0.589 295 Q N 1.006 120.799 119.800 -0.011 0.000 2.402 295 Q HA 0.188 4.529 4.340 0.002 0.000 0.206 295 Q C 1.090 177.085 176.000 -0.009 0.000 0.919 295 Q CA 0.216 56.015 55.803 -0.006 0.000 0.923 295 Q CB 0.107 28.843 28.738 -0.004 0.000 1.048 295 Q HN 0.631 nan 8.270 nan 0.000 0.515 296 A N 3.921 126.733 122.820 -0.014 0.000 2.454 296 A HA 0.291 4.612 4.320 0.002 0.000 0.260 296 A C -1.967 175.607 177.584 -0.017 0.000 1.106 296 A CA -1.040 50.988 52.037 -0.016 0.000 0.780 296 A CB -0.234 18.754 19.000 -0.020 0.000 1.044 296 A HN 0.002 nan 8.150 nan 0.000 0.498 297 P HA 0.327 nan 4.420 nan 0.000 0.271 297 P C -0.503 176.785 177.300 -0.019 0.000 1.218 297 P CA 0.021 63.112 63.100 -0.014 0.000 0.780 297 P CB 0.737 32.431 31.700 -0.011 0.000 0.901 298 R N 0.695 121.183 120.500 -0.020 0.000 2.854 298 R HA 0.702 5.043 4.340 0.002 0.000 0.271 298 R C -0.429 175.860 176.300 -0.019 0.000 0.996 298 R CA -1.009 55.077 56.100 -0.025 0.000 0.961 298 R CB 2.031 32.310 30.300 -0.034 0.000 1.182 298 R HN 0.524 nan 8.270 nan 0.000 0.479 299 A N 2.029 124.837 122.820 -0.020 0.000 2.366 299 A HA 0.269 4.590 4.320 0.002 0.000 0.272 299 A C -0.480 177.096 177.584 -0.013 0.000 1.135 299 A CA -0.441 51.587 52.037 -0.015 0.000 0.804 299 A CB 0.327 19.318 19.000 -0.015 0.000 1.064 299 A HN 0.558 nan 8.150 nan 0.000 0.499 300 L N 2.756 123.974 121.223 -0.009 0.000 2.499 300 L HA 0.206 4.547 4.340 0.002 0.000 0.273 300 L C -0.189 176.678 176.870 -0.004 0.000 1.195 300 L CA 0.504 55.341 54.840 -0.005 0.000 0.882 300 L CB 0.070 42.128 42.059 -0.001 0.000 1.133 300 L HN 0.619 nan 8.230 nan 0.000 0.483 301 L N 5.567 126.788 121.223 -0.003 0.000 2.264 301 L HA 0.409 4.751 4.340 0.002 0.000 0.289 301 L C -0.002 176.872 176.870 0.006 0.000 1.044 301 L CA -0.216 54.624 54.840 0.001 0.000 0.807 301 L CB 1.136 43.195 42.059 -0.000 0.000 1.192 301 L HN 0.707 nan 8.230 nan 0.000 0.425 302 E N 5.585 125.789 120.200 0.007 0.000 2.244 302 E HA 0.490 4.841 4.350 0.002 0.000 0.266 302 E C -2.326 174.281 176.600 0.012 0.000 0.914 302 E CA -2.011 54.394 56.400 0.009 0.000 0.794 302 E CB 2.037 31.741 29.700 0.007 0.000 1.210 302 E HN 0.314 nan 8.360 nan 0.000 0.414 303 P HA -0.003 nan 4.420 nan 0.000 0.271 303 P C -0.183 177.125 177.300 0.013 0.000 1.244 303 P CA 0.110 63.219 63.100 0.015 0.000 0.793 303 P CB 0.794 32.502 31.700 0.013 0.000 0.984 304 A N 1.867 124.697 122.820 0.015 0.000 1.835 304 A HA -0.105 4.216 4.320 0.002 0.000 0.215 304 A C 1.357 178.947 177.584 0.010 0.000 1.199 304 A CA 1.377 53.422 52.037 0.014 0.000 0.615 304 A CB -1.456 17.554 19.000 0.017 0.000 0.838 304 A HN 0.668 nan 8.150 nan 0.000 0.444 305 L N -0.729 120.499 121.223 0.009 0.000 3.573 305 L HA -0.274 4.067 4.340 0.002 0.000 0.578 305 L C 0.832 177.706 176.870 0.006 0.000 1.299 305 L CA 0.699 55.543 54.840 0.006 0.000 0.914 305 L CB -0.973 41.089 42.059 0.005 0.000 1.563 305 L HN 0.867 nan 8.230 nan 0.000 0.860 306 E N -1.355 118.849 120.200 0.007 0.000 3.706 306 E HA 0.104 4.455 4.350 0.002 0.000 0.266 306 E C 0.281 176.886 176.600 0.008 0.000 1.251 306 E CA 0.328 56.733 56.400 0.008 0.000 1.870 306 E CB 0.354 30.059 29.700 0.009 0.000 1.842 306 E HN 0.630 nan 8.360 nan 0.000 0.862 307 T N 2.398 116.958 114.554 0.010 0.000 0.587 307 T HA -0.085 4.266 4.350 0.002 0.000 0.768 307 T C -2.589 172.117 174.700 0.010 0.000 0.992 307 T CA 0.156 62.262 62.100 0.010 0.000 4.050 307 T CB -1.483 67.390 68.868 0.008 0.000 2.287 307 T HN 0.214 nan 8.240 nan 0.000 0.395 308 P HA 0.442 nan 4.420 nan 0.000 0.280 308 P C -2.373 174.934 177.300 0.011 0.000 1.300 308 P CA -1.155 61.952 63.100 0.012 0.000 0.785 308 P CB 0.288 31.995 31.700 0.013 0.000 0.874 309 P HA 0.265 nan 4.420 nan 0.000 0.285 309 P C 0.735 178.042 177.300 0.012 0.000 1.448 309 P CA -0.427 62.680 63.100 0.012 0.000 0.953 309 P CB 1.169 32.876 31.700 0.010 0.000 1.175 310 Q N 2.736 122.545 119.800 0.014 0.000 2.119 310 Q HA -0.019 4.322 4.340 0.002 0.000 0.201 310 Q C 0.931 176.941 176.000 0.016 0.000 0.972 310 Q CA 1.134 56.947 55.803 0.016 0.000 0.847 310 Q CB -0.556 28.193 28.738 0.019 0.000 0.903 310 Q HN 0.649 nan 8.270 nan 0.000 0.433 311 A N 1.065 123.895 122.820 0.017 0.000 2.739 311 A HA -0.200 4.121 4.320 0.002 0.000 0.296 311 A C 0.217 177.812 177.584 0.018 0.000 1.488 311 A CA 1.152 53.198 52.037 0.016 0.000 0.746 311 A CB -1.400 17.608 19.000 0.013 0.000 1.047 311 A HN 0.206 nan 8.150 nan 0.000 0.477 312 K N -1.348 119.066 120.400 0.024 0.000 2.158 312 K HA 0.812 5.133 4.320 0.002 0.000 0.243 312 K C -0.538 176.082 176.600 0.033 0.000 1.079 312 K CA -0.313 55.989 56.287 0.026 0.000 0.920 312 K CB 1.768 34.285 32.500 0.029 0.000 1.400 312 K HN 0.423 nan 8.250 nan 0.000 0.561 313 V N 3.945 123.881 119.914 0.038 0.000 2.409 313 V HA 0.263 4.384 4.120 0.002 0.000 0.290 313 V C -2.129 174.014 176.094 0.081 0.000 1.017 313 V CA -1.485 60.845 62.300 0.051 0.000 0.841 313 V CB 1.381 33.216 31.823 0.021 0.000 1.003 313 V HN 0.679 nan 8.190 nan 0.000 0.426 314 P HA 0.218 nan 4.420 nan 0.000 0.272 314 P C -0.501 176.937 177.300 0.230 0.000 1.223 314 P CA -0.504 62.687 63.100 0.151 0.000 0.784 314 P CB 1.120 32.908 31.700 0.147 0.000 0.923 315 K N 1.258 121.754 120.400 0.160 0.000 2.326 315 K HA 0.241 4.562 4.320 0.002 0.000 0.275 315 K C -0.535 176.230 176.600 0.275 0.000 1.018 315 K CA -0.168 56.225 56.287 0.177 0.000 0.962 315 K CB 0.107 32.656 32.500 0.082 0.000 0.953 315 K HN 0.253 nan 8.250 nan 0.000 0.475 316 F N 3.538 123.481 119.950 -0.012 0.000 2.483 316 F HA 0.453 4.981 4.527 0.002 0.000 0.329 316 F C 0.456 176.247 175.800 -0.015 0.000 1.064 316 F CA -1.098 56.894 58.000 -0.014 0.000 0.986 316 F CB 1.073 40.064 39.000 -0.014 0.000 1.218 316 F HN 0.344 nan 8.300 nan 0.000 0.484 317 I N -0.817 119.792 120.570 0.065 0.000 2.646 317 I HA 0.582 4.753 4.170 0.002 0.000 0.299 317 I C -1.396 174.747 176.117 0.044 0.000 1.036 317 I CA -0.854 60.467 61.300 0.034 0.000 1.074 317 I CB 2.256 40.241 38.000 -0.025 0.000 1.258 317 I HN 0.275 nan 8.210 nan 0.000 0.430 318 D N 5.407 125.830 120.400 0.038 0.000 2.280 318 D HA 0.449 5.090 4.640 0.002 0.000 0.236 318 D C -0.728 175.579 176.300 0.012 0.000 1.082 318 D CA -0.133 53.885 54.000 0.031 0.000 0.834 318 D CB 2.795 43.611 40.800 0.027 0.000 1.100 318 D HN 0.367 nan 8.370 nan 0.000 0.486 319 V N 2.859 122.776 119.914 0.006 0.000 2.769 319 V HA 0.489 4.610 4.120 0.002 0.000 0.312 319 V C -1.344 174.748 176.094 -0.004 0.000 1.061 319 V CA -0.821 61.480 62.300 0.001 0.000 0.931 319 V CB 2.440 34.260 31.823 -0.005 0.000 1.010 319 V HN 0.339 nan 8.190 nan 0.000 0.433 320 L N 6.041 127.258 121.223 -0.010 0.000 2.305 320 L HA 0.654 4.995 4.340 0.002 0.000 0.284 320 L C -0.890 175.964 176.870 -0.028 0.000 1.013 320 L CA -0.186 54.641 54.840 -0.022 0.000 0.819 320 L CB 1.461 43.504 42.059 -0.027 0.000 1.227 320 L HN 0.711 nan 8.230 nan 0.000 0.417 321 L N 5.511 126.712 121.223 -0.037 0.000 2.307 321 L HA 0.595 4.936 4.340 0.002 0.000 0.282 321 L C -0.643 176.210 176.870 -0.027 0.000 1.051 321 L CA 0.066 54.867 54.840 -0.064 0.000 0.804 321 L CB 0.955 42.916 42.059 -0.163 0.000 1.197 321 L HN 0.776 nan 8.230 nan 0.000 0.431 322 K N 3.930 124.332 120.400 0.003 0.000 2.427 322 K HA 0.727 5.049 4.320 0.002 0.000 0.252 322 K C -2.090 174.581 176.600 0.117 0.000 0.931 322 K CA -0.743 55.576 56.287 0.052 0.000 0.793 322 K CB 2.027 34.543 32.500 0.026 0.000 1.211 322 K HN 0.441 nan 8.250 nan 0.000 0.426 323 V N 3.285 123.319 119.914 0.201 0.000 2.444 323 V HA 0.446 4.568 4.120 0.002 0.000 0.294 323 V C -0.579 175.652 176.094 0.228 0.000 1.022 323 V CA -0.580 61.872 62.300 0.254 0.000 0.850 323 V CB 1.311 33.325 31.823 0.319 0.000 0.992 323 V HN 0.967 nan 8.190 nan 0.000 0.426 324 S N 2.475 118.306 115.700 0.218 0.000 2.671 324 S HA 0.881 5.352 4.470 0.002 0.000 0.299 324 S C 0.703 175.370 174.600 0.112 0.000 1.116 324 S CA 0.054 58.337 58.200 0.140 0.000 0.912 324 S CB 1.956 65.200 63.200 0.075 0.000 1.130 324 S HN 2.188 nan 8.310 nan 0.000 0.501 325 G N 0.096 108.919 108.800 0.038 0.000 2.176 325 G HA2 -0.195 3.766 3.960 0.002 0.000 0.253 325 G HA3 -0.195 3.766 3.960 0.002 0.000 0.253 325 G C -0.105 174.787 174.900 -0.014 0.000 0.979 325 G CA 0.366 45.440 45.100 -0.042 0.000 0.641 325 G HN 1.641 nan 8.290 nan 0.000 0.530 326 I N -2.547 118.072 120.570 0.083 0.000 2.846 326 I HA 0.837 5.008 4.170 0.002 0.000 0.307 326 I C 1.409 177.579 176.117 0.089 0.000 1.053 326 I CA -0.193 61.168 61.300 0.102 0.000 1.050 326 I CB 1.641 39.756 38.000 0.192 0.000 1.239 326 I HN 0.148 nan 8.210 nan 0.000 0.439 327 S N 2.664 118.407 115.700 0.071 0.000 2.353 327 S HA 0.067 4.538 4.470 0.002 0.000 0.222 327 S C -0.978 173.660 174.600 0.064 0.000 1.035 327 S CA 0.912 59.145 58.200 0.056 0.000 1.025 327 S CB -1.451 61.775 63.200 0.043 0.000 0.902 327 S HN 0.790 nan 8.310 nan 0.000 0.440 328 P HA 0.445 nan 4.420 nan 0.000 0.297 328 P C -0.911 176.466 177.300 0.128 0.000 1.331 328 P CA -0.541 62.613 63.100 0.091 0.000 0.803 328 P CB 1.494 33.249 31.700 0.091 0.000 0.929 329 S N 2.819 118.590 115.700 0.117 0.000 2.576 329 S HA 0.324 4.795 4.470 0.002 0.000 0.276 329 S C -0.477 174.239 174.600 0.194 0.000 1.339 329 S CA -0.440 57.847 58.200 0.145 0.000 1.039 329 S CB 0.451 63.709 63.200 0.096 0.000 0.902 329 S HN 0.524 nan 8.310 nan 0.000 0.516 330 Y N 1.228 121.584 120.300 0.093 0.000 2.446 330 Y HA 0.650 5.202 4.550 0.002 0.000 0.345 330 Y C -0.155 175.797 175.900 0.086 0.000 0.984 330 Y CA -1.021 57.142 58.100 0.105 0.000 1.058 330 Y CB 1.547 40.100 38.460 0.155 0.000 1.220 330 Y HN 0.786 nan 8.280 nan 0.000 0.455 331 R N 3.245 123.396 120.500 -0.582 0.000 2.725 331 R HA 0.359 4.700 4.340 0.002 0.000 0.277 331 R C -2.066 173.860 176.300 -0.624 0.000 0.987 331 R CA -1.154 54.694 56.100 -0.421 0.000 0.901 331 R CB 2.046 32.222 30.300 -0.206 0.000 1.207 331 R HN 0.823 nan 8.270 nan 0.000 0.463 332 H N -0.173 118.663 119.070 -0.390 0.000 2.877 332 H HA 0.260 4.817 4.556 0.002 0.000 0.347 332 H C -1.405 173.841 175.328 -0.137 0.000 1.042 332 H CA -0.154 55.745 56.048 -0.247 0.000 1.276 332 H CB 1.917 31.618 29.762 -0.102 0.000 1.681 332 H HN 0.432 nan 8.280 nan 0.000 0.521 333 S N 4.408 119.939 115.700 -0.282 0.000 2.457 333 S HA 0.565 5.036 4.470 0.002 0.000 0.289 333 S C -0.799 173.774 174.600 -0.045 0.000 1.163 333 S CA -0.238 57.886 58.200 -0.126 0.000 1.078 333 S CB 0.076 63.193 63.200 -0.138 0.000 0.987 333 S HN 0.630 nan 8.310 nan 0.000 0.482 334 V N 2.903 122.848 119.914 0.051 0.000 2.925 334 V HA 0.857 4.978 4.120 0.002 0.000 0.311 334 V C -0.761 175.363 176.094 0.051 0.000 1.104 334 V CA -0.515 61.834 62.300 0.081 0.000 0.954 334 V CB 2.105 34.006 31.823 0.130 0.000 1.022 334 V HN 0.757 nan 8.190 nan 0.000 0.427 335 S N 3.723 119.469 115.700 0.077 0.000 2.478 335 S HA 0.865 5.336 4.470 0.002 0.000 0.312 335 S C -0.372 174.303 174.600 0.125 0.000 1.094 335 S CA -0.292 57.988 58.200 0.133 0.000 1.081 335 S CB 1.256 64.577 63.200 0.201 0.000 1.007 335 S HN 1.703 nan 8.310 nan 0.000 0.475 336 V N 0.710 120.568 119.914 -0.093 0.000 3.130 336 V HA 0.747 4.868 4.120 0.002 0.000 0.310 336 V C -3.237 172.287 176.094 -0.950 0.000 1.158 336 V CA -3.252 58.778 62.300 -0.450 0.000 1.029 336 V CB 1.274 32.958 31.823 -0.232 0.000 1.057 336 V HN 0.465 nan 8.190 nan 0.000 0.436 337 P HA 0.227 nan 4.420 nan 0.000 0.264 337 P C 0.010 177.081 177.300 -0.381 0.000 1.183 337 P CA 0.712 63.302 63.100 -0.850 0.000 0.763 337 P CB 0.271 31.666 31.700 -0.508 0.000 0.807 338 A N 3.649 126.334 122.820 -0.226 0.000 2.567 338 A HA 0.364 4.685 4.320 0.002 0.000 0.240 338 A C 1.604 179.118 177.584 -0.118 0.000 1.053 338 A CA 1.014 52.976 52.037 -0.126 0.000 0.755 338 A CB -1.377 17.587 19.000 -0.060 0.000 0.978 338 A HN 0.883 nan 8.150 nan 0.000 0.507 339 G N 1.691 110.423 108.800 -0.114 0.000 2.213 339 G HA2 -0.193 3.768 3.960 0.002 0.000 0.226 339 G HA3 -0.193 3.768 3.960 0.002 0.000 0.226 339 G C 0.515 175.355 174.900 -0.100 0.000 0.992 339 G CA 0.235 45.276 45.100 -0.098 0.000 0.632 339 G HN 1.297 nan 8.290 nan 0.000 0.511 340 S N 1.335 116.963 115.700 -0.120 0.000 2.552 340 S HA 0.480 4.951 4.470 0.002 0.000 0.289 340 S C 0.996 175.541 174.600 -0.091 0.000 1.304 340 S CA 0.435 58.573 58.200 -0.103 0.000 1.063 340 S CB 1.175 64.298 63.200 -0.127 0.000 0.848 340 S HN 1.529 nan 8.310 nan 0.000 0.499 341 S N 2.707 118.373 115.700 -0.058 0.000 2.614 341 S HA 0.262 4.733 4.470 0.002 0.000 0.265 341 S C 1.080 175.661 174.600 -0.033 0.000 1.303 341 S CA -0.823 57.352 58.200 -0.041 0.000 1.000 341 S CB 0.371 63.570 63.200 -0.003 0.000 0.935 341 S HN 0.540 nan 8.310 nan 0.000 0.551 342 L N 0.904 122.131 121.223 0.008 0.000 2.083 342 L HA -0.037 4.304 4.340 0.002 0.000 0.209 342 L C 2.490 179.305 176.870 -0.091 0.000 1.083 342 L CA 2.174 57.009 54.840 -0.009 0.000 0.752 342 L CB -1.241 40.859 42.059 0.067 0.000 0.899 342 L HN 1.019 nan 8.230 nan 0.000 0.433 343 E N -0.712 119.453 120.200 -0.058 0.000 2.085 343 E HA -0.270 4.082 4.350 0.002 0.000 0.194 343 E C 1.650 178.218 176.600 -0.053 0.000 0.994 343 E CA 1.608 57.967 56.400 -0.069 0.000 0.801 343 E CB -0.045 29.674 29.700 0.032 0.000 0.743 343 E HN 0.577 nan 8.360 nan 0.000 0.453 344 D N 0.356 120.740 120.400 -0.026 0.000 2.117 344 D HA -0.160 4.481 4.640 0.002 0.000 0.197 344 D C 2.061 178.337 176.300 -0.039 0.000 0.987 344 D CA 0.943 54.935 54.000 -0.013 0.000 0.829 344 D CB -0.228 40.560 40.800 -0.020 0.000 0.961 344 D HN 0.316 nan 8.370 nan 0.000 0.460 345 I N 0.622 121.142 120.570 -0.083 0.000 2.226 345 I HA -0.231 3.941 4.170 0.002 0.000 0.245 345 I C 2.429 178.430 176.117 -0.193 0.000 1.100 345 I CA 0.664 61.897 61.300 -0.112 0.000 1.374 345 I CB -0.070 37.861 38.000 -0.116 0.000 1.057 345 I HN -0.027 nan 8.210 nan 0.000 0.413 346 L N 0.236 121.283 121.223 -0.294 0.000 2.017 346 L HA -0.225 4.116 4.340 0.002 0.000 0.208 346 L C 2.536 179.342 176.870 -0.106 0.000 1.073 346 L CA 1.542 56.109 54.840 -0.454 0.000 0.745 346 L CB -0.658 40.827 42.059 -0.956 0.000 0.894 346 L HN 0.183 nan 8.230 nan 0.000 0.432 347 K N 0.332 120.751 120.400 0.032 0.000 2.063 347 K HA -0.229 4.092 4.320 0.002 0.000 0.208 347 K C 1.825 178.492 176.600 0.112 0.000 1.048 347 K CA 1.929 58.347 56.287 0.218 0.000 0.928 347 K CB -0.388 32.218 32.500 0.178 0.000 0.713 347 K HN 0.338 nan 8.250 nan 0.000 0.442 348 N N 1.066 119.804 118.700 0.063 0.000 2.104 348 N HA -0.208 4.534 4.740 0.002 0.000 0.190 348 N C 1.718 177.297 175.510 0.115 0.000 1.024 348 N CA 1.695 54.817 53.050 0.120 0.000 0.853 348 N CB -0.162 38.402 38.487 0.129 0.000 1.008 348 N HN 0.151 nan 8.380 nan 0.000 0.424 349 A N -0.093 122.694 122.820 -0.054 0.000 1.930 349 A HA -0.168 4.153 4.320 0.002 0.000 0.217 349 A C 2.224 179.803 177.584 -0.008 0.000 1.175 349 A CA 1.472 53.322 52.037 -0.312 0.000 0.627 349 A CB -0.903 17.621 19.000 -0.793 0.000 0.815 349 A HN 0.613 nan 8.150 nan 0.000 0.443 350 Q N -1.000 118.902 119.800 0.170 0.000 2.119 350 Q HA -0.210 4.131 4.340 0.002 0.000 0.201 350 Q C 1.953 177.989 176.000 0.060 0.000 0.972 350 Q CA 1.687 57.602 55.803 0.185 0.000 0.847 350 Q CB -0.051 28.847 28.738 0.266 0.000 0.903 350 Q HN 0.620 nan 8.270 nan 0.000 0.433 351 E N -0.237 119.957 120.200 -0.010 0.000 2.046 351 E HA -0.120 4.231 4.350 0.002 0.000 0.190 351 E C 0.407 176.876 176.600 -0.218 0.000 0.982 351 E CA 1.383 57.674 56.400 -0.181 0.000 0.800 351 E CB 0.089 29.581 29.700 -0.348 0.000 0.756 351 E HN 0.494 nan 8.360 nan 0.000 0.449 352 H N -1.292 117.844 119.070 0.111 0.000 2.524 352 H HA 0.538 5.095 4.556 0.002 0.000 0.299 352 H C 0.229 175.682 175.328 0.208 0.000 1.074 352 H CA 0.034 56.165 56.048 0.139 0.000 1.115 352 H CB 0.795 30.644 29.762 0.145 0.000 1.522 352 H HN 0.183 nan 8.280 nan 0.000 0.543 353 G N -0.516 108.446 108.800 0.270 0.000 2.428 353 G HA2 0.115 4.076 3.960 0.002 0.000 0.305 353 G HA3 0.115 4.076 3.960 0.002 0.000 0.305 353 G C -0.338 174.702 174.900 0.234 0.000 1.260 353 G CA -0.945 44.350 45.100 0.325 0.000 0.853 353 G HN 0.170 nan 8.290 nan 0.000 0.480 354 R N -0.749 119.925 120.500 0.290 0.000 2.388 354 R HA 0.239 4.580 4.340 0.002 0.000 0.247 354 R C 0.114 176.452 176.300 0.063 0.000 0.931 354 R CA -0.338 55.865 56.100 0.173 0.000 1.082 354 R CB 0.160 30.578 30.300 0.196 0.000 1.135 354 R HN 0.293 nan 8.270 nan 0.000 0.525 355 F N 3.183 123.085 119.950 -0.080 0.000 2.518 355 F HA 0.064 4.592 4.527 0.002 0.000 0.359 355 F C 0.663 176.365 175.800 -0.162 0.000 1.118 355 F CA -0.276 57.544 58.000 -0.301 0.000 1.287 355 F CB 0.451 39.300 39.000 -0.251 0.000 1.132 355 F HN -0.047 nan 8.300 nan 0.000 0.587 356 R N 5.942 125.852 120.500 -0.983 0.000 2.698 356 R HA 0.696 5.037 4.340 0.002 0.000 0.275 356 R C -2.193 173.578 176.300 -0.881 0.000 1.001 356 R CA -0.685 54.992 56.100 -0.704 0.000 0.896 356 R CB 1.999 32.061 30.300 -0.397 0.000 1.218 356 R HN 0.691 nan 8.270 nan 0.000 0.462 357 F N -0.761 118.784 119.950 -0.676 0.000 2.693 357 F HA 0.669 5.197 4.527 0.002 0.000 0.309 357 F C -1.700 173.927 175.800 -0.288 0.000 1.129 357 F CA -1.140 56.544 58.000 -0.526 0.000 0.948 357 F CB 1.763 40.511 39.000 -0.419 0.000 1.315 357 F HN 0.565 nan 8.300 nan 0.000 0.447 358 R N 0.876 121.141 120.500 -0.392 0.000 2.725 358 R HA 0.746 5.088 4.340 0.002 0.000 0.277 358 R C -1.297 174.922 176.300 -0.136 0.000 0.987 358 R CA -0.812 55.065 56.100 -0.371 0.000 0.901 358 R CB 2.637 32.801 30.300 -0.226 0.000 1.207 358 R HN 1.001 nan 8.270 nan 0.000 0.463 359 T N -1.302 113.193 114.554 -0.099 0.000 2.916 359 T HA 0.476 4.827 4.350 0.002 0.000 0.292 359 T C -0.708 174.027 174.700 0.058 0.000 1.055 359 T CA -1.000 61.123 62.100 0.039 0.000 1.009 359 T CB 2.077 71.017 68.868 0.119 0.000 1.118 359 T HN 0.616 nan 8.240 nan 0.000 0.497 360 Q N 0.877 120.764 119.800 0.146 0.000 2.387 360 Q HA 0.746 5.087 4.340 0.002 0.000 0.273 360 Q C -0.657 175.441 176.000 0.163 0.000 1.089 360 Q CA -1.457 54.433 55.803 0.144 0.000 0.824 360 Q CB 1.972 30.811 28.738 0.168 0.000 1.367 360 Q HN 0.968 nan 8.270 nan 0.000 0.443 361 A N 1.648 124.531 122.820 0.105 0.000 2.483 361 A HA 0.504 4.825 4.320 0.002 0.000 0.238 361 A C -0.020 177.607 177.584 0.072 0.000 1.070 361 A CA 0.485 52.578 52.037 0.093 0.000 0.770 361 A CB 0.096 19.136 19.000 0.066 0.000 1.008 361 A HN 0.956 nan 8.150 nan 0.000 0.497 362 S N 0.890 116.625 115.700 0.059 0.000 2.656 362 S HA 0.502 4.973 4.470 0.002 0.000 0.273 362 S C 0.385 174.986 174.600 0.002 0.000 1.168 362 S CA -0.646 57.555 58.200 0.002 0.000 0.817 362 S CB 0.385 63.552 63.200 -0.054 0.000 1.146 362 S HN 0.562 nan 8.310 nan 0.000 0.475 363 L N 0.992 122.205 121.223 -0.017 0.000 2.362 363 L HA 0.036 4.377 4.340 0.002 0.000 0.219 363 L C 1.897 178.729 176.870 -0.062 0.000 1.134 363 L CA 0.830 55.659 54.840 -0.017 0.000 0.807 363 L CB -0.600 41.464 42.059 0.009 0.000 0.927 363 L HN 0.715 nan 8.230 nan 0.000 0.447 364 S N -0.765 114.900 115.700 -0.057 0.000 2.575 364 S HA 0.349 4.820 4.470 0.002 0.000 0.215 364 S C 0.854 175.428 174.600 -0.043 0.000 0.966 364 S CA 0.523 58.681 58.200 -0.069 0.000 0.911 364 S CB 0.493 63.655 63.200 -0.064 0.000 0.780 364 S HN 0.673 nan 8.310 nan 0.000 0.514 365 G N 1.868 110.665 108.800 -0.005 0.000 2.447 365 G HA2 -0.092 3.869 3.960 0.002 0.000 0.220 365 G HA3 -0.092 3.869 3.960 0.002 0.000 0.220 365 G C -3.361 171.613 174.900 0.123 0.000 1.261 365 G CA -1.321 43.815 45.100 0.061 0.000 1.000 365 G HN 0.080 nan 8.290 nan 0.000 0.515 366 P HA 0.416 nan 4.420 nan 0.000 0.265 366 P C -0.727 176.705 177.300 0.220 0.000 1.222 366 P CA 0.206 63.412 63.100 0.176 0.000 0.767 366 P CB 0.198 31.997 31.700 0.165 0.000 0.801 367 F N 5.437 125.428 119.950 0.068 0.000 2.404 367 F HA 0.389 4.917 4.527 0.002 0.000 0.354 367 F C -0.418 175.445 175.800 0.105 0.000 1.122 367 F CA -1.420 56.621 58.000 0.069 0.000 1.080 367 F CB 0.679 39.709 39.000 0.050 0.000 1.131 367 F HN 0.081 nan 8.300 nan 0.000 0.471 368 L N 6.752 127.733 121.223 -0.404 0.000 2.433 368 L HA 0.245 4.586 4.340 0.002 0.000 0.275 368 L C 0.845 177.478 176.870 -0.393 0.000 1.128 368 L CA 0.771 55.443 54.840 -0.279 0.000 0.875 368 L CB 0.497 42.450 42.059 -0.177 0.000 1.171 368 L HN 0.883 nan 8.230 nan 0.000 0.463 369 T N -0.483 113.987 114.554 -0.140 0.000 2.955 369 T HA 0.266 4.618 4.350 0.002 0.000 0.251 369 T C 0.655 175.440 174.700 0.142 0.000 1.002 369 T CA 0.305 62.433 62.100 0.046 0.000 0.970 369 T CB 0.071 69.012 68.868 0.121 0.000 1.091 369 T HN 0.488 nan 8.240 nan 0.000 0.495 370 S N 0.097 115.742 115.700 -0.092 0.000 2.540 370 S HA 0.696 5.167 4.470 0.002 0.000 0.275 370 S C -1.765 172.541 174.600 -0.489 0.000 1.123 370 S CA -0.518 57.596 58.200 -0.142 0.000 0.907 370 S CB 1.952 65.111 63.200 -0.068 0.000 1.081 370 S HN 0.237 nan 8.310 nan 0.000 0.476 371 V N 5.257 124.786 119.914 -0.641 0.000 2.623 371 V HA 0.495 4.616 4.120 0.002 0.000 0.304 371 V C -0.079 175.741 176.094 -0.455 0.000 1.054 371 V CA -0.809 61.010 62.300 -0.802 0.000 0.882 371 V CB 1.369 32.288 31.823 -1.507 0.000 1.002 371 V HN 1.060 nan 8.190 nan 0.000 0.424 372 L N 4.686 125.597 121.223 -0.520 0.000 3.742 372 L HA -0.272 4.070 4.340 0.002 0.000 0.431 372 L C 1.460 178.223 176.870 -0.178 0.000 1.220 372 L CA 0.982 55.607 54.840 -0.359 0.000 0.863 372 L CB -1.426 40.467 42.059 -0.277 0.000 1.751 372 L HN 1.291 nan 8.230 nan 0.000 0.922 373 G N -1.385 107.311 108.800 -0.173 0.000 2.179 373 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 373 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 373 G C 0.368 175.267 174.900 -0.001 0.000 0.977 373 G CA 0.251 45.300 45.100 -0.085 0.000 0.641 373 G HN 0.305 nan 8.290 nan 0.000 0.533 374 R N 0.820 121.359 120.500 0.065 0.000 2.233 374 R HA 0.320 4.661 4.340 0.002 0.000 0.334 374 R C 0.307 176.800 176.300 0.322 0.000 1.037 374 R CA -0.497 55.724 56.100 0.201 0.000 0.920 374 R CB 1.039 31.531 30.300 0.320 0.000 1.137 374 R HN 0.420 nan 8.270 nan 0.000 0.492 375 K N 1.567 122.092 120.400 0.209 0.000 2.249 375 K HA 0.285 4.607 4.320 0.002 0.000 0.280 375 K C -0.325 176.421 176.600 0.243 0.000 1.033 375 K CA -0.268 56.157 56.287 0.231 0.000 0.946 375 K CB 1.012 33.587 32.500 0.124 0.000 1.005 375 K HN 0.565 nan 8.250 nan 0.000 0.469 376 A N 3.319 126.316 122.820 0.295 0.000 2.488 376 A HA 0.304 4.626 4.320 0.002 0.000 0.249 376 A C 0.569 178.237 177.584 0.140 0.000 1.083 376 A CA 0.198 52.320 52.037 0.141 0.000 0.768 376 A CB 0.350 19.451 19.000 0.168 0.000 1.017 376 A HN 0.920 nan 8.150 nan 0.000 0.496 377 G N 1.184 110.036 108.800 0.086 0.000 2.489 377 G HA2 0.371 4.332 3.960 0.002 0.000 0.271 377 G HA3 0.371 4.332 3.960 0.002 0.000 0.271 377 G C 0.498 175.468 174.900 0.117 0.000 1.427 377 G CA 0.089 45.239 45.100 0.084 0.000 1.057 377 G HN 0.678 nan 8.290 nan 0.000 0.532 378 E N -0.479 119.765 120.200 0.073 0.000 2.031 378 E HA -0.073 4.279 4.350 0.002 0.000 0.193 378 E C 2.043 178.674 176.600 0.051 0.000 0.994 378 E CA 1.047 57.482 56.400 0.060 0.000 0.800 378 E CB 0.000 29.708 29.700 0.013 0.000 0.752 378 E HN 0.377 nan 8.360 nan 0.000 0.447 379 R N 0.617 121.113 120.500 -0.007 0.000 2.865 379 R HA 0.211 4.552 4.340 0.002 0.000 0.370 379 R C -0.907 175.437 176.300 0.074 0.000 1.168 379 R CA 0.048 56.045 56.100 -0.172 0.000 1.058 379 R CB 0.166 30.275 30.300 -0.318 0.000 1.419 379 R HN 0.032 nan 8.270 nan 0.000 0.580 380 E N 0.203 120.615 120.200 0.353 0.000 2.277 380 E HA 0.391 4.742 4.350 0.002 0.000 0.266 380 E C -1.135 175.808 176.600 0.572 0.000 0.901 380 E CA -1.066 55.567 56.400 0.388 0.000 0.782 380 E CB 1.989 31.735 29.700 0.077 0.000 1.228 380 E HN 0.105 nan 8.360 nan 0.000 0.424 381 F N -1.852 118.168 119.950 0.117 0.000 2.645 381 F HA 0.535 5.063 4.527 0.002 0.000 0.310 381 F C -1.806 173.867 175.800 -0.212 0.000 1.102 381 F CA -1.518 56.464 58.000 -0.030 0.000 0.952 381 F CB 0.659 39.615 39.000 -0.073 0.000 1.326 381 F HN 0.417 nan 8.300 nan 0.000 0.456 382 W N 3.181 124.404 121.300 -0.129 0.000 2.481 382 W HA 0.409 5.070 4.660 0.002 0.000 0.320 382 W C 0.160 176.518 176.519 -0.268 0.000 1.209 382 W CA -0.040 57.163 57.345 -0.238 0.000 1.400 382 W CB 0.865 30.233 29.460 -0.154 0.000 1.361 382 W HN 0.602 nan 8.180 nan 0.000 0.456 383 Q N 2.554 122.163 119.800 -0.318 0.000 2.243 383 Q HA 0.448 4.789 4.340 0.002 0.000 0.252 383 Q C -0.915 175.068 176.000 -0.028 0.000 0.909 383 Q CA -0.414 55.248 55.803 -0.234 0.000 0.922 383 Q CB 1.303 29.747 28.738 -0.491 0.000 1.215 383 Q HN 0.273 nan 8.270 nan 0.000 0.427 384 V N 5.547 125.462 119.914 0.001 0.000 2.384 384 V HA 0.445 4.566 4.120 0.002 0.000 0.287 384 V C -0.665 175.382 176.094 -0.079 0.000 1.020 384 V CA -0.637 61.641 62.300 -0.037 0.000 0.850 384 V CB 1.153 32.939 31.823 -0.061 0.000 0.987 384 V HN 0.644 nan 8.190 nan 0.000 0.436 385 L N 4.170 125.344 121.223 -0.081 0.000 2.371 385 L HA 0.645 4.986 4.340 0.002 0.000 0.262 385 L C -0.038 176.769 176.870 -0.104 0.000 1.006 385 L CA -0.625 54.163 54.840 -0.087 0.000 0.818 385 L CB 1.829 43.861 42.059 -0.045 0.000 1.354 385 L HN 0.603 nan 8.230 nan 0.000 0.415 386 R N 1.043 121.480 120.500 -0.105 0.000 2.221 386 R HA 0.267 4.608 4.340 0.002 0.000 0.327 386 R C -0.824 175.461 176.300 -0.024 0.000 1.033 386 R CA -0.549 55.514 56.100 -0.063 0.000 0.887 386 R CB 0.827 31.098 30.300 -0.049 0.000 1.057 386 R HN 0.737 nan 8.270 nan 0.000 0.455 387 D N 5.094 125.488 120.400 -0.011 0.000 2.424 387 D HA 0.145 4.786 4.640 0.002 0.000 0.244 387 D C -1.994 174.308 176.300 0.003 0.000 1.134 387 D CA -0.964 53.034 54.000 -0.003 0.000 0.881 387 D CB 0.984 41.783 40.800 -0.001 0.000 1.191 387 D HN 0.319 nan 8.370 nan 0.000 0.445 388 P HA 0.249 nan 4.420 nan 0.000 0.294 388 P C -0.654 176.648 177.300 0.003 0.000 1.294 388 P CA -0.379 62.723 63.100 0.003 0.000 0.827 388 P CB 1.083 32.787 31.700 0.006 0.000 0.992 389 D N 0.104 120.503 120.400 -0.000 0.000 2.882 389 D HA -0.106 4.535 4.640 0.002 0.000 0.229 389 D C -0.611 175.691 176.300 0.003 0.000 1.167 389 D CA 1.262 55.263 54.000 0.001 0.000 0.759 389 D CB -1.027 39.778 40.800 0.008 0.000 1.088 389 D HN 0.390 nan 8.370 nan 0.000 0.425 390 T N 1.421 115.972 114.554 -0.005 0.000 2.801 390 T HA 0.385 4.736 4.350 0.002 0.000 0.306 390 T C -2.413 172.272 174.700 -0.024 0.000 1.020 390 T CA -1.171 60.927 62.100 -0.004 0.000 0.948 390 T CB 2.007 70.875 68.868 -0.000 0.000 0.962 390 T HN -0.122 nan 8.240 nan 0.000 0.465 391 P HA 0.130 nan 4.420 nan 0.000 0.267 391 P C 0.018 177.292 177.300 -0.043 0.000 1.205 391 P CA -0.316 62.775 63.100 -0.015 0.000 0.765 391 P CB 0.443 32.164 31.700 0.035 0.000 0.828 392 L N 3.288 124.442 121.223 -0.114 0.000 2.467 392 L HA 0.052 4.393 4.340 0.002 0.000 0.270 392 L C 1.499 178.335 176.870 -0.056 0.000 1.205 392 L CA 0.326 55.057 54.840 -0.183 0.000 0.828 392 L CB 0.051 41.877 42.059 -0.388 0.000 1.101 392 L HN 0.429 nan 8.230 nan 0.000 0.479 393 Q N 1.119 120.916 119.800 -0.005 0.000 2.220 393 Q HA 0.188 4.529 4.340 0.002 0.000 0.205 393 Q C -0.540 175.434 176.000 -0.043 0.000 0.865 393 Q CA 0.031 55.874 55.803 0.066 0.000 0.960 393 Q CB 0.860 29.712 28.738 0.191 0.000 1.097 393 Q HN 0.593 nan 8.270 nan 0.000 0.493 394 Q N -0.849 118.922 119.800 -0.049 0.000 2.456 394 Q HA 0.530 4.872 4.340 0.002 0.000 0.283 394 Q C -0.406 175.573 176.000 -0.036 0.000 1.084 394 Q CA -0.764 54.987 55.803 -0.086 0.000 0.801 394 Q CB 1.993 30.760 28.738 0.049 0.000 1.434 394 Q HN 0.224 nan 8.270 nan 0.000 0.419 395 G N 0.311 109.095 108.800 -0.027 0.000 2.588 395 G HA2 0.277 4.238 3.960 0.002 0.000 0.281 395 G HA3 0.277 4.238 3.960 0.002 0.000 0.281 395 G C 0.903 175.830 174.900 0.045 0.000 1.236 395 G CA -0.340 44.769 45.100 0.015 0.000 0.969 395 G HN 0.812 nan 8.290 nan 0.000 0.504 396 I N -2.243 118.348 120.570 0.035 0.000 2.264 396 I HA -0.102 4.069 4.170 0.002 0.000 0.248 396 I C 2.387 178.536 176.117 0.053 0.000 1.111 396 I CA 1.985 63.303 61.300 0.029 0.000 1.382 396 I CB -0.176 37.809 38.000 -0.024 0.000 1.060 396 I HN 0.311 nan 8.210 nan 0.000 0.418 397 A N 0.391 123.251 122.820 0.067 0.000 2.067 397 A HA -0.076 4.245 4.320 0.002 0.000 0.217 397 A C 1.823 179.448 177.584 0.069 0.000 1.156 397 A CA 1.510 53.593 52.037 0.077 0.000 0.683 397 A CB -0.394 18.671 19.000 0.108 0.000 0.808 397 A HN 0.570 nan 8.150 nan 0.000 0.455 398 D N -2.584 117.854 120.400 0.063 0.000 2.422 398 D HA 0.078 4.719 4.640 0.002 0.000 0.218 398 D C -0.116 176.221 176.300 0.062 0.000 1.047 398 D CA 0.024 54.054 54.000 0.050 0.000 0.885 398 D CB -0.045 40.764 40.800 0.015 0.000 1.035 398 D HN 0.430 nan 8.370 nan 0.000 0.502 399 Y N 3.036 123.320 120.300 -0.027 0.000 2.465 399 Y HA 0.100 4.651 4.550 0.002 0.000 0.331 399 Y C 0.127 176.012 175.900 -0.024 0.000 1.102 399 Y CA -0.004 58.081 58.100 -0.025 0.000 1.358 399 Y CB 0.338 38.780 38.460 -0.029 0.000 1.213 399 Y HN -0.329 nan 8.280 nan 0.000 0.525 400 R N 7.898 127.989 120.500 -0.681 0.000 2.310 400 R HA 0.316 4.657 4.340 0.002 0.000 0.316 400 R C -2.703 173.170 176.300 -0.711 0.000 1.004 400 R CA -1.910 53.901 56.100 -0.482 0.000 0.900 400 R CB 0.759 30.894 30.300 -0.274 0.000 1.152 400 R HN 0.513 nan 8.270 nan 0.000 0.513 401 P HA -0.011 nan 4.420 nan 0.000 0.269 401 P C -0.383 176.819 177.300 -0.162 0.000 1.215 401 P CA -0.001 62.962 63.100 -0.228 0.000 0.780 401 P CB 0.718 32.426 31.700 0.014 0.000 0.898 402 K N 1.379 121.735 120.400 -0.073 0.000 2.139 402 K HA 0.249 4.570 4.320 0.002 0.000 0.243 402 K C -0.127 176.464 176.600 -0.015 0.000 0.983 402 K CA -0.797 55.462 56.287 -0.047 0.000 0.890 402 K CB 0.618 33.102 32.500 -0.026 0.000 1.090 402 K HN 0.430 nan 8.250 nan 0.000 0.445 403 D N 0.234 120.627 120.400 -0.013 0.000 2.533 403 D HA -0.001 4.640 4.640 0.002 0.000 0.236 403 D C 0.957 177.262 176.300 0.008 0.000 1.137 403 D CA 1.776 55.777 54.000 0.000 0.000 0.867 403 D CB 0.288 41.092 40.800 0.006 0.000 1.170 403 D HN 0.725 nan 8.370 nan 0.000 0.474 404 G N 3.147 111.953 108.800 0.010 0.000 2.155 404 G HA2 -0.305 3.656 3.960 0.002 0.000 0.257 404 G HA3 -0.305 3.656 3.960 0.002 0.000 0.257 404 G C 0.289 175.198 174.900 0.014 0.000 0.983 404 G CA 0.486 45.592 45.100 0.010 0.000 0.676 404 G HN 0.604 nan 8.290 nan 0.000 0.528 405 E N 0.490 120.703 120.200 0.022 0.000 2.354 405 E HA 0.422 4.773 4.350 0.002 0.000 0.269 405 E C -0.074 176.540 176.600 0.023 0.000 1.036 405 E CA 0.129 56.550 56.400 0.035 0.000 0.876 405 E CB 0.659 30.403 29.700 0.073 0.000 1.009 405 E HN 0.131 nan 8.360 nan 0.000 0.416 406 T N 3.882 118.445 114.554 0.016 0.000 2.749 406 T HA 0.324 4.675 4.350 0.002 0.000 0.287 406 T C -0.148 174.553 174.700 0.002 0.000 0.970 406 T CA -0.612 61.490 62.100 0.003 0.000 0.980 406 T CB 0.306 69.173 68.868 -0.002 0.000 0.924 406 T HN 0.207 nan 8.240 nan 0.000 0.456 407 I N 3.209 123.774 120.570 -0.008 0.000 2.359 407 I HA 0.385 4.556 4.170 0.002 0.000 0.294 407 I C 0.492 176.592 176.117 -0.028 0.000 0.987 407 I CA -0.760 60.524 61.300 -0.026 0.000 1.225 407 I CB 1.436 39.420 38.000 -0.027 0.000 1.366 407 I HN 0.673 nan 8.210 nan 0.000 0.466 408 E N 6.775 126.961 120.200 -0.024 0.000 2.179 408 E HA 0.529 4.880 4.350 0.002 0.000 0.275 408 E C -1.474 175.141 176.600 0.025 0.000 0.945 408 E CA -0.678 55.727 56.400 0.008 0.000 0.792 408 E CB 1.608 31.315 29.700 0.012 0.000 1.125 408 E HN 0.474 nan 8.360 nan 0.000 0.397 409 L N 4.956 126.229 121.223 0.084 0.000 2.280 409 L HA 0.526 4.867 4.340 0.002 0.000 0.287 409 L C 0.173 177.251 176.870 0.347 0.000 1.023 409 L CA -0.545 54.405 54.840 0.183 0.000 0.819 409 L CB 1.134 43.253 42.059 0.100 0.000 1.212 409 L HN 0.360 nan 8.230 nan 0.000 0.420 410 R N 3.507 124.154 120.500 0.246 0.000 2.439 410 R HA 0.414 4.755 4.340 0.002 0.000 0.310 410 R C -1.233 174.886 176.300 -0.302 0.000 0.955 410 R CA -0.969 55.152 56.100 0.035 0.000 0.853 410 R CB 1.686 31.948 30.300 -0.062 0.000 1.171 410 R HN 0.459 nan 8.270 nan 0.000 0.449 411 L N 6.658 127.474 121.223 -0.680 0.000 2.385 411 L HA 0.211 4.552 4.340 0.002 0.000 0.281 411 L C -0.652 175.874 176.870 -0.574 0.000 1.106 411 L CA 0.179 54.377 54.840 -1.071 0.000 0.856 411 L CB 0.984 42.254 42.059 -1.315 0.000 1.186 411 L HN 0.432 nan 8.230 nan 0.000 0.453 412 V N 1.970 121.539 119.914 -0.575 0.000 2.960 412 V HA 0.997 5.119 4.120 0.002 0.000 0.315 412 V C 0.120 176.131 176.094 -0.138 0.000 1.087 412 V CA -0.342 61.749 62.300 -0.349 0.000 0.982 412 V CB 1.584 33.168 31.823 -0.397 0.000 1.039 412 V HN 0.786 nan 8.190 nan 0.000 0.437 413 G N 2.140 110.958 108.800 0.030 0.000 2.660 413 G HA2 0.580 4.541 3.960 0.002 0.000 0.305 413 G HA3 0.580 4.541 3.960 0.002 0.000 0.305 413 G C -0.972 174.092 174.900 0.274 0.000 1.329 413 G CA -0.590 44.611 45.100 0.168 0.000 1.000 413 G HN 1.253 nan 8.290 nan 0.000 0.514 414 W N 0.000 121.384 121.300 0.139 0.000 2.388 414 W HA 0.000 4.661 4.660 0.002 0.000 0.303 414 W CA 0.000 57.428 57.345 0.139 0.000 1.226 414 W CB 0.000 29.599 29.460 0.232 0.000 1.126 414 W HN 0.000 nan 8.180 nan 0.000 0.535