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 3a8j_1_C DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.476 177.584 -0.180 0.000 1.274 1 A CA 0.000 51.961 52.037 -0.126 0.000 0.836 1 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 2 Q N 0.958 120.561 119.800 -0.329 0.000 2.180 2 Q HA 0.551 4.886 4.340 -0.008 0.000 0.241 2 Q C -0.275 175.659 176.000 -0.111 0.000 0.970 2 Q CA -0.323 55.283 55.803 -0.327 0.000 0.919 2 Q CB 1.164 29.604 28.738 -0.498 0.000 1.222 2 Q HN 0.821 nan 8.270 nan 0.000 0.482 3 Q N 0.127 119.921 119.800 -0.010 0.000 2.248 3 Q HA 0.491 4.826 4.340 -0.008 0.000 0.263 3 Q C -0.088 176.165 176.000 0.422 0.000 1.007 3 Q CA -0.680 55.234 55.803 0.186 0.000 0.877 3 Q CB 1.404 30.089 28.738 -0.089 0.000 1.315 3 Q HN 0.710 nan 8.270 nan 0.000 0.454 4 T N -2.761 112.082 114.554 0.482 0.000 2.847 4 T HA 0.240 4.586 4.350 -0.008 0.000 0.279 4 T C -1.893 172.957 174.700 0.249 0.000 0.984 4 T CA -1.639 60.693 62.100 0.387 0.000 0.988 4 T CB 0.583 69.621 68.868 0.284 0.000 1.040 4 T HN 0.241 nan 8.240 nan 0.000 0.528 5 P HA 0.055 nan 4.420 nan 0.000 0.219 5 P C 1.205 178.534 177.300 0.048 0.000 1.146 5 P CA 0.823 63.988 63.100 0.109 0.000 0.808 5 P CB -0.123 31.634 31.700 0.094 0.000 0.779 6 L N -2.706 118.502 121.223 -0.025 0.000 2.650 6 L HA -0.051 4.284 4.340 -0.008 0.000 0.235 6 L C 2.108 178.773 176.870 -0.341 0.000 1.149 6 L CA 0.234 54.859 54.840 -0.359 0.000 0.887 6 L CB -0.750 40.855 42.059 -0.757 0.000 1.021 6 L HN -0.001 nan 8.230 nan 0.000 0.441 7 Y N 1.114 121.374 120.300 -0.066 0.000 2.145 7 Y HA -0.319 4.227 4.550 -0.007 0.000 0.286 7 Y C 2.605 178.509 175.900 0.006 0.000 1.145 7 Y CA 2.055 60.200 58.100 0.074 0.000 1.148 7 Y CB 0.128 38.642 38.460 0.091 0.000 0.981 7 Y HN 0.247 nan 8.280 nan 0.000 0.507 8 E N -0.446 119.833 120.200 0.131 0.000 2.110 8 E HA -0.258 4.087 4.350 -0.008 0.000 0.193 8 E C 2.057 178.611 176.600 -0.077 0.000 0.988 8 E CA 1.295 57.721 56.400 0.043 0.000 0.804 8 E CB -0.026 29.732 29.700 0.096 0.000 0.745 8 E HN 0.541 nan 8.360 nan 0.000 0.458 9 Q N -0.028 119.659 119.800 -0.188 0.000 2.096 9 Q HA -0.186 4.149 4.340 -0.008 0.000 0.204 9 Q C 2.112 177.997 176.000 -0.190 0.000 0.982 9 Q CA 1.259 56.918 55.803 -0.241 0.000 0.850 9 Q CB -0.561 27.857 28.738 -0.534 0.000 0.901 9 Q HN 0.541 nan 8.270 nan 0.000 0.422 10 H N 0.075 119.019 119.070 -0.211 0.000 2.321 10 H HA -0.086 4.465 4.556 -0.008 0.000 0.300 10 H C 2.343 177.660 175.328 -0.018 0.000 1.087 10 H CA 2.147 58.165 56.048 -0.051 0.000 1.319 10 H CB -0.646 28.980 29.762 -0.227 0.000 1.379 10 H HN 0.463 nan 8.280 nan 0.000 0.501 11 T N -0.134 114.376 114.554 -0.073 0.000 2.746 11 T HA -0.115 4.230 4.350 -0.008 0.000 0.267 11 T C 2.346 177.062 174.700 0.027 0.000 1.039 11 T CA 1.187 63.241 62.100 -0.077 0.000 1.142 11 T CB -0.797 67.985 68.868 -0.143 0.000 0.866 11 T HN 0.189 nan 8.240 nan 0.000 0.444 12 L N 0.411 121.658 121.223 0.041 0.000 2.127 12 L HA -0.041 4.295 4.340 -0.008 0.000 0.211 12 L C 2.631 179.568 176.870 0.111 0.000 1.089 12 L CA 0.882 55.763 54.840 0.069 0.000 0.757 12 L CB -0.696 41.399 42.059 0.060 0.000 0.899 12 L HN 0.432 nan 8.230 nan 0.000 0.434 13 C N 0.406 119.817 119.300 0.185 0.000 2.613 13 C HA 0.315 4.771 4.460 -0.008 0.000 0.273 13 C C 1.666 176.837 174.990 0.301 0.000 1.304 13 C CA 0.269 59.418 59.018 0.218 0.000 1.702 13 C CB -1.385 26.500 27.740 0.241 0.000 1.792 13 C HN 0.812 nan 8.230 nan 0.000 0.588 14 G N 0.757 109.694 108.800 0.229 0.000 2.142 14 G HA2 0.002 3.957 3.960 -0.008 0.000 0.225 14 G HA3 0.002 3.957 3.960 -0.008 0.000 0.225 14 G C 0.100 175.082 174.900 0.137 0.000 1.015 14 G CA 0.101 45.303 45.100 0.171 0.000 0.716 14 G HN 0.910 nan 8.290 nan 0.000 0.508 15 A N -0.475 122.380 122.820 0.058 0.000 2.462 15 A HA 0.696 5.011 4.320 -0.008 0.000 0.243 15 A C 0.711 178.102 177.584 -0.321 0.000 1.076 15 A CA 0.262 52.090 52.037 -0.349 0.000 0.773 15 A CB 0.314 19.015 19.000 -0.499 0.000 1.010 15 A HN 0.448 nan 8.150 nan 0.000 0.493 16 R N 2.097 122.300 120.500 -0.494 0.000 2.230 16 R HA 0.334 4.669 4.340 -0.008 0.000 0.337 16 R C -0.475 175.602 176.300 -0.372 0.000 1.063 16 R CA -0.394 55.457 56.100 -0.415 0.000 0.935 16 R CB 0.442 30.382 30.300 -0.600 0.000 1.121 16 R HN 0.672 nan 8.270 nan 0.000 0.486 17 M N 3.529 122.987 119.600 -0.236 0.000 2.188 17 M HA 0.200 4.675 4.480 -0.008 0.000 0.354 17 M C -0.000 176.249 176.300 -0.084 0.000 1.342 17 M CA -0.570 54.630 55.300 -0.166 0.000 1.117 17 M CB 0.817 33.375 32.600 -0.070 0.000 1.670 17 M HN 0.328 nan 8.290 nan 0.000 0.466 18 V N 0.006 119.883 119.914 -0.063 0.000 2.881 18 V HA 0.565 4.680 4.120 -0.008 0.000 0.316 18 V C -0.128 176.016 176.094 0.083 0.000 1.070 18 V CA -1.091 61.215 62.300 0.009 0.000 0.976 18 V CB 2.033 33.863 31.823 0.012 0.000 1.038 18 V HN 0.731 nan 8.190 nan 0.000 0.446 19 D N 1.890 122.345 120.400 0.092 0.000 2.338 19 D HA 0.202 4.838 4.640 -0.008 0.000 0.255 19 D C -1.305 175.099 176.300 0.174 0.000 1.237 19 D CA 0.026 54.098 54.000 0.121 0.000 0.883 19 D CB 0.661 41.499 40.800 0.064 0.000 1.087 19 D HN 0.560 nan 8.370 nan 0.000 0.485 20 F N 5.632 125.615 119.950 0.055 0.000 2.347 20 F HA 0.202 4.724 4.527 -0.007 0.000 0.366 20 F C 0.249 176.152 175.800 0.172 0.000 1.107 20 F CA -0.702 57.303 58.000 0.008 0.000 1.058 20 F CB 0.139 39.166 39.000 0.045 0.000 1.236 20 F HN 0.386 nan 8.300 nan 0.000 0.456 21 H N 4.155 123.112 119.070 -0.189 0.000 2.445 21 H HA -0.206 4.345 4.556 -0.008 0.000 0.322 21 H C 1.415 176.794 175.328 0.085 0.000 1.053 21 H CA 1.015 56.998 56.048 -0.109 0.000 1.109 21 H CB -1.351 28.275 29.762 -0.227 0.000 1.546 21 H HN 1.153 nan 8.280 nan 0.000 0.397 22 G N -1.507 107.363 108.800 0.116 0.000 2.157 22 G HA2 -0.262 3.694 3.960 -0.008 0.000 0.248 22 G HA3 -0.262 3.694 3.960 -0.008 0.000 0.248 22 G C -0.243 174.588 174.900 -0.115 0.000 0.979 22 G CA 0.171 45.261 45.100 -0.016 0.000 0.650 22 G HN 0.466 nan 8.290 nan 0.000 0.529 23 W N 0.137 121.504 121.300 0.111 0.000 2.600 23 W HA 0.785 5.441 4.660 -0.008 0.000 0.325 23 W C 0.163 176.756 176.519 0.124 0.000 1.034 23 W CA -1.354 56.069 57.345 0.131 0.000 1.226 23 W CB 1.102 30.678 29.460 0.193 0.000 1.379 23 W HN -0.087 nan 8.180 nan 0.000 0.466 24 M N 5.264 125.053 119.600 0.315 0.000 2.364 24 M HA 0.181 4.656 4.480 -0.008 0.000 0.342 24 M C -0.428 176.019 176.300 0.245 0.000 1.601 24 M CA 0.333 55.797 55.300 0.273 0.000 1.156 24 M CB -0.695 32.106 32.600 0.335 0.000 1.912 24 M HN 0.263 nan 8.290 nan 0.000 0.460 25 M N 5.219 124.872 119.600 0.088 0.000 2.518 25 M HA 0.492 4.968 4.480 -0.008 0.000 0.300 25 M C -2.444 173.697 176.300 -0.266 0.000 1.175 25 M CA -2.329 52.900 55.300 -0.120 0.000 0.890 25 M CB 2.038 34.541 32.600 -0.161 0.000 1.710 25 M HN 0.140 nan 8.290 nan 0.000 0.453 26 P HA 0.085 nan 4.420 nan 0.000 0.271 26 P C 0.712 177.760 177.300 -0.420 0.000 1.233 26 P CA -0.245 62.500 63.100 -0.592 0.000 0.764 26 P CB 0.377 31.466 31.700 -1.019 0.000 0.825 27 L N 5.202 126.206 121.223 -0.364 0.000 2.093 27 L HA 0.002 4.338 4.340 -0.008 0.000 0.208 27 L C 0.621 177.432 176.870 -0.099 0.000 1.085 27 L CA 1.872 56.589 54.840 -0.205 0.000 0.755 27 L CB -0.818 41.160 42.059 -0.135 0.000 0.904 27 L HN 0.629 nan 8.230 nan 0.000 0.435 28 H N -6.212 112.741 119.070 -0.195 0.000 2.887 28 H HA 0.349 4.900 4.556 -0.007 0.000 0.290 28 H C -1.366 173.824 175.328 -0.230 0.000 1.429 28 H CA -0.868 55.123 56.048 -0.095 0.000 1.137 28 H CB -0.161 29.608 29.762 0.012 0.000 1.824 28 H HN -0.112 nan 8.280 nan 0.000 0.520 29 Y N 0.119 120.529 120.300 0.183 0.000 2.716 29 Y HA 0.526 5.072 4.550 -0.008 0.000 0.260 29 Y C 1.346 177.365 175.900 0.198 0.000 1.141 29 Y CA 0.342 58.510 58.100 0.114 0.000 1.168 29 Y CB 1.258 39.771 38.460 0.088 0.000 1.189 29 Y HN 1.149 nan 8.280 nan 0.000 0.549 30 G N -0.360 108.760 108.800 0.533 0.000 2.905 30 G HA2 -0.141 3.815 3.960 -0.008 0.000 0.196 30 G HA3 -0.141 3.815 3.960 -0.008 0.000 0.196 30 G C -0.008 174.954 174.900 0.102 0.000 1.044 30 G CA 0.023 45.281 45.100 0.264 0.000 0.778 30 G HN 0.376 nan 8.290 nan 0.000 0.474 31 S N -0.071 115.689 115.700 0.101 0.000 2.545 31 S HA 0.456 4.921 4.470 -0.008 0.000 0.259 31 S C 0.460 175.088 174.600 0.046 0.000 1.092 31 S CA 0.711 58.908 58.200 -0.005 0.000 1.054 31 S CB 1.238 64.445 63.200 0.012 0.000 1.146 31 S HN 0.391 nan 8.310 nan 0.000 0.447 32 Q N 3.453 123.244 119.800 -0.014 0.000 2.096 32 Q HA -0.087 4.249 4.340 -0.008 0.000 0.204 32 Q C 1.653 177.722 176.000 0.116 0.000 0.982 32 Q CA 1.950 57.798 55.803 0.075 0.000 0.850 32 Q CB -0.049 28.703 28.738 0.023 0.000 0.901 32 Q HN 0.859 nan 8.270 nan 0.000 0.422 33 I N 1.397 122.005 120.570 0.063 0.000 2.151 33 I HA -0.296 3.870 4.170 -0.008 0.000 0.243 33 I C 1.640 177.847 176.117 0.150 0.000 1.080 33 I CA 1.606 62.957 61.300 0.085 0.000 1.339 33 I CB -1.064 36.947 38.000 0.018 0.000 1.039 33 I HN 0.265 nan 8.210 nan 0.000 0.409 34 D N 0.463 120.927 120.400 0.107 0.000 2.178 34 D HA -0.158 4.477 4.640 -0.008 0.000 0.201 34 D C 2.167 178.559 176.300 0.155 0.000 0.980 34 D CA 0.953 55.032 54.000 0.131 0.000 0.842 34 D CB -0.087 40.757 40.800 0.073 0.000 0.948 34 D HN 0.467 nan 8.370 nan 0.000 0.472 35 E N -0.542 119.743 120.200 0.141 0.000 2.072 35 E HA -0.152 4.194 4.350 -0.008 0.000 0.190 35 E C 2.043 178.720 176.600 0.128 0.000 0.982 35 E CA 0.531 56.993 56.400 0.103 0.000 0.803 35 E CB -0.065 29.717 29.700 0.137 0.000 0.755 35 E HN 0.390 nan 8.360 nan 0.000 0.453 36 H N 0.583 119.721 119.070 0.115 0.000 2.321 36 H HA -0.175 4.376 4.556 -0.008 0.000 0.300 36 H C 2.157 177.544 175.328 0.099 0.000 1.087 36 H CA 2.153 58.270 56.048 0.115 0.000 1.319 36 H CB -0.097 29.727 29.762 0.103 0.000 1.379 36 H HN 0.225 nan 8.280 nan 0.000 0.501 37 H N 0.614 119.787 119.070 0.171 0.000 2.353 37 H HA -0.110 4.441 4.556 -0.008 0.000 0.298 37 H C 2.276 177.588 175.328 -0.025 0.000 1.103 37 H CA 2.397 58.493 56.048 0.079 0.000 1.293 37 H CB -0.486 29.326 29.762 0.083 0.000 1.372 37 H HN 0.450 nan 8.280 nan 0.000 0.501 38 A N -0.263 122.507 122.820 -0.083 0.000 1.908 38 A HA -0.156 4.160 4.320 -0.008 0.000 0.218 38 A C 2.693 180.164 177.584 -0.187 0.000 1.181 38 A CA 2.003 53.944 52.037 -0.160 0.000 0.627 38 A CB -0.894 18.043 19.000 -0.105 0.000 0.818 38 A HN 0.352 nan 8.150 nan 0.000 0.445 39 V N -0.325 119.497 119.914 -0.154 0.000 2.591 39 V HA -0.119 3.997 4.120 -0.008 0.000 0.249 39 V C 2.580 178.574 176.094 -0.168 0.000 1.053 39 V CA 1.481 63.711 62.300 -0.116 0.000 1.068 39 V CB -0.700 31.120 31.823 -0.005 0.000 0.689 39 V HN 0.440 nan 8.190 nan 0.000 0.462 40 R N 0.748 121.097 120.500 -0.252 0.000 2.115 40 R HA -0.075 4.260 4.340 -0.008 0.000 0.230 40 R C 2.204 178.388 176.300 -0.193 0.000 1.111 40 R CA 1.884 57.855 56.100 -0.215 0.000 0.976 40 R CB -0.556 29.620 30.300 -0.207 0.000 0.870 40 R HN 0.706 nan 8.270 nan 0.000 0.445 41 T N -3.893 110.496 114.554 -0.276 0.000 2.975 41 T HA 0.110 4.455 4.350 -0.008 0.000 0.261 41 T C 0.608 175.185 174.700 -0.205 0.000 0.984 41 T CA 0.144 62.089 62.100 -0.258 0.000 0.911 41 T CB 0.621 69.244 68.868 -0.407 0.000 1.127 41 T HN 0.028 nan 8.240 nan 0.000 0.514 42 D N 1.390 121.670 120.400 -0.200 0.000 2.583 42 D HA 0.598 5.234 4.640 -0.008 0.000 0.123 42 D C -1.133 175.082 176.300 -0.141 0.000 1.382 42 D CA 0.647 54.556 54.000 -0.152 0.000 1.522 42 D CB 0.838 41.548 40.800 -0.148 0.000 1.976 42 D HN 0.462 nan 8.370 nan 0.000 0.191 43 A N -0.223 122.508 122.820 -0.149 0.000 2.513 43 A HA 0.708 5.023 4.320 -0.008 0.000 0.296 43 A C -0.359 177.118 177.584 -0.178 0.000 1.052 43 A CA -0.017 51.931 52.037 -0.148 0.000 0.714 43 A CB 1.605 20.513 19.000 -0.153 0.000 1.279 43 A HN 0.493 nan 8.150 nan 0.000 0.397 44 G N 0.685 109.379 108.800 -0.175 0.000 2.605 44 G HA2 0.808 4.763 3.960 -0.008 0.000 0.296 44 G HA3 0.808 4.763 3.960 -0.008 0.000 0.296 44 G C -0.621 174.084 174.900 -0.325 0.000 1.304 44 G CA -0.426 44.504 45.100 -0.283 0.000 0.941 44 G HN 1.503 nan 8.290 nan 0.000 0.475 45 M N -0.599 118.690 119.600 -0.519 0.000 2.550 45 M HA 0.808 5.284 4.480 -0.008 0.000 0.292 45 M C -2.027 173.980 176.300 -0.489 0.000 1.221 45 M CA -0.811 54.266 55.300 -0.372 0.000 0.873 45 M CB 2.513 34.912 32.600 -0.334 0.000 1.727 45 M HN 0.269 nan 8.290 nan 0.000 0.459 46 F N 0.186 120.282 119.950 0.243 0.000 2.520 46 F HA 0.409 4.931 4.527 -0.008 0.000 0.322 46 F C -0.201 175.849 175.800 0.417 0.000 1.103 46 F CA -0.633 57.568 58.000 0.336 0.000 0.926 46 F CB 1.374 40.512 39.000 0.230 0.000 1.154 46 F HN 0.623 nan 8.300 nan 0.000 0.453 47 D N 2.429 123.181 120.400 0.586 0.000 2.338 47 D HA 0.208 4.844 4.640 -0.008 0.000 0.255 47 D C 0.291 176.800 176.300 0.348 0.000 1.237 47 D CA 0.125 54.373 54.000 0.413 0.000 0.883 47 D CB 1.145 42.135 40.800 0.318 0.000 1.087 47 D HN 0.381 nan 8.370 nan 0.000 0.485 48 V N 1.397 121.522 119.914 0.351 0.000 2.940 48 V HA 0.227 4.342 4.120 -0.008 0.000 0.366 48 V C 1.237 177.447 176.094 0.193 0.000 1.353 48 V CA -0.420 62.090 62.300 0.350 0.000 1.232 48 V CB 0.036 31.988 31.823 0.214 0.000 1.278 48 V HN 0.309 nan 8.190 nan 0.000 0.546 49 S N 1.842 117.667 115.700 0.209 0.000 2.547 49 S HA -0.089 4.377 4.470 -0.008 0.000 0.235 49 S C 1.720 176.252 174.600 -0.113 0.000 0.980 49 S CA 1.376 59.622 58.200 0.077 0.000 0.941 49 S CB -0.521 62.749 63.200 0.116 0.000 0.763 49 S HN 1.015 nan 8.310 nan 0.000 0.532 50 H N -0.001 118.765 119.070 -0.507 0.000 2.551 50 H HA 0.290 4.841 4.556 -0.008 0.000 0.266 50 H C 0.544 175.606 175.328 -0.444 0.000 0.977 50 H CA -0.068 55.340 56.048 -1.067 0.000 1.163 50 H CB -0.454 28.361 29.762 -1.580 0.000 1.381 50 H HN 0.351 nan 8.280 nan 0.000 0.581 51 M N 1.334 120.535 119.600 -0.666 0.000 2.227 51 M HA 0.219 4.695 4.480 -0.008 0.000 0.316 51 M C -0.167 176.039 176.300 -0.157 0.000 1.144 51 M CA 0.107 55.160 55.300 -0.411 0.000 1.121 51 M CB 1.127 33.514 32.600 -0.355 0.000 1.440 51 M HN -0.068 nan 8.290 nan 0.000 0.473 52 T N 2.187 116.690 114.554 -0.085 0.000 2.792 52 T HA 0.618 4.964 4.350 -0.008 0.000 0.280 52 T C -0.414 174.287 174.700 0.002 0.000 0.990 52 T CA -0.508 61.586 62.100 -0.009 0.000 0.960 52 T CB 0.642 69.524 68.868 0.024 0.000 0.939 52 T HN 0.379 nan 8.240 nan 0.000 0.439 53 I N 3.221 123.801 120.570 0.018 0.000 2.377 53 I HA 0.534 4.700 4.170 -0.008 0.000 0.293 53 I C -0.576 175.563 176.117 0.037 0.000 0.987 53 I CA -0.925 60.386 61.300 0.018 0.000 1.185 53 I CB 1.692 39.686 38.000 -0.010 0.000 1.341 53 I HN 0.235 nan 8.210 nan 0.000 0.455 54 V N 4.638 124.586 119.914 0.057 0.000 2.443 54 V HA 0.332 4.447 4.120 -0.008 0.000 0.293 54 V C -0.850 175.321 176.094 0.129 0.000 1.021 54 V CA -0.782 61.571 62.300 0.088 0.000 0.848 54 V CB 1.725 33.605 31.823 0.096 0.000 0.998 54 V HN 0.566 nan 8.190 nan 0.000 0.424 55 D N 4.545 125.041 120.400 0.159 0.000 2.225 55 D HA 0.642 5.278 4.640 -0.008 0.000 0.248 55 D C -0.500 175.972 176.300 0.286 0.000 1.096 55 D CA 0.042 54.211 54.000 0.281 0.000 0.863 55 D CB 2.015 43.009 40.800 0.324 0.000 1.156 55 D HN 0.355 nan 8.370 nan 0.000 0.450 56 L N 2.819 124.276 121.223 0.391 0.000 2.376 56 L HA 0.521 4.857 4.340 -0.008 0.000 0.275 56 L C 0.078 177.194 176.870 0.409 0.000 0.987 56 L CA -0.678 54.358 54.840 0.325 0.000 0.828 56 L CB 1.631 43.879 42.059 0.315 0.000 1.249 56 L HN 0.073 nan 8.230 nan 0.000 0.409 57 R N 2.048 122.694 120.500 0.244 0.000 2.686 57 R HA 0.906 5.242 4.340 -0.008 0.000 0.286 57 R C -0.476 175.906 176.300 0.137 0.000 0.969 57 R CA -0.970 55.246 56.100 0.194 0.000 0.898 57 R CB 2.519 32.819 30.300 -0.000 0.000 1.183 57 R HN 0.788 nan 8.270 nan 0.000 0.456 58 G N -0.273 108.620 108.800 0.155 0.000 2.345 58 G HA2 -0.057 3.898 3.960 -0.008 0.000 0.310 58 G HA3 -0.057 3.898 3.960 -0.008 0.000 0.310 58 G C 0.160 175.153 174.900 0.155 0.000 1.476 58 G CA -0.260 44.913 45.100 0.121 0.000 0.978 58 G HN 0.515 nan 8.290 nan 0.000 0.656 59 S N -0.630 115.145 115.700 0.125 0.000 2.453 59 S HA -0.023 4.443 4.470 -0.008 0.000 0.231 59 S C 1.557 176.249 174.600 0.152 0.000 1.005 59 S CA 1.154 59.435 58.200 0.134 0.000 0.949 59 S CB -0.017 63.243 63.200 0.101 0.000 0.774 59 S HN 0.634 nan 8.310 nan 0.000 0.510 60 R N 0.780 121.376 120.500 0.159 0.000 2.466 60 R HA 0.268 4.604 4.340 -0.008 0.000 0.279 60 R C 1.082 177.467 176.300 0.140 0.000 0.976 60 R CA 0.330 56.541 56.100 0.186 0.000 1.081 60 R CB -0.206 30.269 30.300 0.292 0.000 1.215 60 R HN 0.340 nan 8.270 nan 0.000 0.546 61 T N 1.134 115.780 114.554 0.153 0.000 2.708 61 T HA -0.192 4.154 4.350 -0.008 0.000 0.266 61 T C 1.784 176.437 174.700 -0.078 0.000 1.037 61 T CA 1.283 63.458 62.100 0.126 0.000 1.146 61 T CB -0.050 68.981 68.868 0.270 0.000 0.865 61 T HN 0.314 nan 8.240 nan 0.000 0.435 62 R N 0.983 121.463 120.500 -0.032 0.000 2.073 62 R HA -0.126 4.209 4.340 -0.008 0.000 0.234 62 R C 2.500 178.696 176.300 -0.173 0.000 1.134 62 R CA 1.841 57.819 56.100 -0.204 0.000 0.952 62 R CB -0.234 30.152 30.300 0.142 0.000 0.850 62 R HN 0.523 nan 8.270 nan 0.000 0.433 63 E N -0.392 119.780 120.200 -0.047 0.000 2.070 63 E HA -0.260 4.085 4.350 -0.008 0.000 0.197 63 E C 1.767 178.250 176.600 -0.196 0.000 1.004 63 E CA 1.574 57.949 56.400 -0.042 0.000 0.805 63 E CB -0.295 29.457 29.700 0.088 0.000 0.744 63 E HN 0.390 nan 8.360 nan 0.000 0.451 64 F N 1.377 120.955 119.950 -0.619 0.000 2.126 64 F HA -0.171 4.353 4.527 -0.005 0.000 0.299 64 F C 1.884 177.422 175.800 -0.436 0.000 1.096 64 F CA 1.442 58.892 58.000 -0.918 0.000 1.255 64 F CB -0.315 38.154 39.000 -0.885 0.000 0.997 64 F HN 0.022 nan 8.300 nan 0.000 0.479 65 L N -0.254 120.587 121.223 -0.638 0.000 2.179 65 L HA -0.070 4.266 4.340 -0.008 0.000 0.208 65 L C 2.571 179.148 176.870 -0.488 0.000 1.096 65 L CA 0.750 55.151 54.840 -0.733 0.000 0.779 65 L CB -0.545 41.103 42.059 -0.684 0.000 0.922 65 L HN 0.028 nan 8.230 nan 0.000 0.443 66 R N -0.935 119.368 120.500 -0.329 0.000 2.152 66 R HA -0.211 4.125 4.340 -0.008 0.000 0.232 66 R C 2.112 178.382 176.300 -0.050 0.000 1.117 66 R CA 1.464 57.456 56.100 -0.180 0.000 0.981 66 R CB -0.300 29.945 30.300 -0.092 0.000 0.870 66 R HN 0.315 nan 8.270 nan 0.000 0.451 67 Y N 0.604 120.795 120.300 -0.181 0.000 2.397 67 Y HA -0.027 4.518 4.550 -0.008 0.000 0.292 67 Y C 1.896 177.736 175.900 -0.100 0.000 1.115 67 Y CA 0.529 58.595 58.100 -0.057 0.000 1.208 67 Y CB -0.030 38.443 38.460 0.023 0.000 1.046 67 Y HN -0.084 nan 8.280 nan 0.000 0.552 68 L N 0.083 121.050 121.223 -0.426 0.000 2.109 68 L HA 0.064 4.400 4.340 -0.008 0.000 0.207 68 L C 0.192 176.828 176.870 -0.389 0.000 1.086 68 L CA 1.320 55.848 54.840 -0.519 0.000 0.760 68 L CB -0.216 41.366 42.059 -0.794 0.000 0.910 68 L HN 0.091 nan 8.230 nan 0.000 0.437 69 L N -2.124 118.847 121.223 -0.420 0.000 2.322 69 L HA 0.460 4.795 4.340 -0.008 0.000 0.269 69 L C 1.040 177.513 176.870 -0.662 0.000 1.012 69 L CA -0.062 54.502 54.840 -0.460 0.000 0.815 69 L CB 1.538 43.323 42.059 -0.457 0.000 1.295 69 L HN -0.094 nan 8.230 nan 0.000 0.438 70 A N 0.857 123.209 122.820 -0.780 0.000 2.044 70 A HA 0.041 4.357 4.320 -0.008 0.000 0.213 70 A C 0.935 177.832 177.584 -1.145 0.000 1.169 70 A CA 0.359 51.584 52.037 -1.353 0.000 0.724 70 A CB -0.172 18.313 19.000 -0.859 0.000 0.840 70 A HN 0.728 nan 8.150 nan 0.000 0.463 71 N N 0.733 118.978 118.700 -0.757 0.000 2.381 71 N HA 0.178 4.913 4.740 -0.008 0.000 0.254 71 N C -1.479 173.728 175.510 -0.506 0.000 1.264 71 N CA -0.093 52.606 53.050 -0.585 0.000 0.942 71 N CB 0.749 38.945 38.487 -0.486 0.000 1.190 71 N HN 0.160 nan 8.380 nan 0.000 0.495 72 D N 0.556 120.738 120.400 -0.363 0.000 2.440 72 D HA 0.135 4.770 4.640 -0.008 0.000 0.239 72 D C 1.074 177.249 176.300 -0.208 0.000 1.084 72 D CA -0.611 53.223 54.000 -0.276 0.000 0.843 72 D CB 1.002 41.681 40.800 -0.202 0.000 1.097 72 D HN 0.270 nan 8.370 nan 0.000 0.531 73 V N 2.557 122.346 119.914 -0.207 0.000 3.078 73 V HA -0.018 4.098 4.120 -0.008 0.000 0.265 73 V C 1.957 178.001 176.094 -0.084 0.000 1.122 73 V CA 1.495 63.717 62.300 -0.130 0.000 1.141 73 V CB -0.976 30.754 31.823 -0.155 0.000 0.735 73 V HN 0.499 nan 8.190 nan 0.000 0.498 74 A N 0.576 123.337 122.820 -0.099 0.000 2.076 74 A HA -0.175 4.141 4.320 -0.008 0.000 0.220 74 A C 2.234 179.753 177.584 -0.108 0.000 1.160 74 A CA 1.940 53.928 52.037 -0.081 0.000 0.653 74 A CB -0.583 18.384 19.000 -0.054 0.000 0.801 74 A HN 0.632 nan 8.150 nan 0.000 0.455 75 K N -0.656 119.676 120.400 -0.114 0.000 2.362 75 K HA 0.079 4.394 4.320 -0.008 0.000 0.200 75 K C -0.282 176.231 176.600 -0.146 0.000 1.046 75 K CA 0.270 56.491 56.287 -0.110 0.000 0.952 75 K CB -0.213 32.227 32.500 -0.099 0.000 0.753 75 K HN 0.465 nan 8.250 nan 0.000 0.466 76 L N 1.521 122.619 121.223 -0.208 0.000 2.261 76 L HA 0.129 4.464 4.340 -0.008 0.000 0.289 76 L C 0.928 177.433 176.870 -0.608 0.000 1.059 76 L CA -0.277 54.380 54.840 -0.305 0.000 0.816 76 L CB 1.044 42.964 42.059 -0.232 0.000 1.191 76 L HN 0.109 nan 8.230 nan 0.000 0.431 77 T N -1.758 112.582 114.554 -0.356 0.000 2.986 77 T HA 0.185 4.530 4.350 -0.008 0.000 0.264 77 T C 0.539 175.268 174.700 0.049 0.000 0.964 77 T CA -0.364 61.562 62.100 -0.290 0.000 0.895 77 T CB 0.281 69.085 68.868 -0.106 0.000 1.163 77 T HN 0.257 nan 8.240 nan 0.000 0.517 78 K N 3.289 123.787 120.400 0.165 0.000 2.213 78 K HA 0.536 4.852 4.320 -0.008 0.000 0.270 78 K C 0.128 177.033 176.600 0.509 0.000 1.002 78 K CA -0.340 56.155 56.287 0.347 0.000 0.868 78 K CB 1.486 34.228 32.500 0.403 0.000 1.093 78 K HN 0.378 nan 8.250 nan 0.000 0.454 79 S N 1.778 117.731 115.700 0.421 0.000 2.552 79 S HA 0.255 4.721 4.470 -0.008 0.000 0.289 79 S C 1.186 176.011 174.600 0.375 0.000 1.304 79 S CA 0.411 58.763 58.200 0.254 0.000 1.063 79 S CB 0.609 63.862 63.200 0.089 0.000 0.848 79 S HN 0.940 nan 8.310 nan 0.000 0.499 80 G N 1.592 110.590 108.800 0.329 0.000 2.241 80 G HA2 -0.274 3.682 3.960 -0.008 0.000 0.244 80 G HA3 -0.274 3.682 3.960 -0.008 0.000 0.244 80 G C 0.055 175.175 174.900 0.365 0.000 0.998 80 G CA 0.272 45.648 45.100 0.460 0.000 0.621 80 G HN 1.005 nan 8.290 nan 0.000 0.519 81 K N 1.666 122.140 120.400 0.122 0.000 2.448 81 K HA 0.641 4.957 4.320 -0.008 0.000 0.278 81 K C 0.458 176.951 176.600 -0.178 0.000 1.009 81 K CA 0.874 56.918 56.287 -0.404 0.000 0.995 81 K CB 0.594 32.902 32.500 -0.320 0.000 0.917 81 K HN 0.984 nan 8.250 nan 0.000 0.481 82 A N 3.803 126.474 122.820 -0.248 0.000 2.354 82 A HA 0.765 5.080 4.320 -0.008 0.000 0.321 82 A C -1.395 176.180 177.584 -0.015 0.000 1.125 82 A CA -0.827 51.039 52.037 -0.285 0.000 0.799 82 A CB 0.636 19.207 19.000 -0.714 0.000 1.293 82 A HN 0.659 nan 8.150 nan 0.000 0.452 83 L N -1.568 119.645 121.223 -0.017 0.000 2.327 83 L HA 0.802 5.138 4.340 -0.008 0.000 0.258 83 L C -0.804 176.153 176.870 0.145 0.000 1.024 83 L CA -0.955 53.940 54.840 0.091 0.000 0.825 83 L CB 1.168 43.192 42.059 -0.057 0.000 1.386 83 L HN 0.641 nan 8.230 nan 0.000 0.417 84 Y N 0.276 120.587 120.300 0.018 0.000 2.330 84 Y HA 0.775 5.320 4.550 -0.007 0.000 0.336 84 Y C -0.287 175.452 175.900 -0.268 0.000 1.036 84 Y CA -0.114 57.958 58.100 -0.047 0.000 1.125 84 Y CB 1.583 40.084 38.460 0.069 0.000 1.194 84 Y HN 0.911 nan 8.280 nan 0.000 0.469 85 S N 3.709 118.938 115.700 -0.785 0.000 2.546 85 S HA 0.715 5.181 4.470 -0.008 0.000 0.274 85 S C -0.466 173.675 174.600 -0.766 0.000 1.121 85 S CA -0.295 57.454 58.200 -0.751 0.000 0.887 85 S CB 0.924 63.819 63.200 -0.509 0.000 1.094 85 S HN 1.186 nan 8.310 nan 0.000 0.474 86 G N 2.051 110.456 108.800 -0.657 0.000 2.539 86 G HA2 0.516 4.472 3.960 -0.008 0.000 0.258 86 G HA3 0.516 4.472 3.960 -0.008 0.000 0.258 86 G C -0.600 174.057 174.900 -0.406 0.000 1.202 86 G CA -0.404 44.417 45.100 -0.465 0.000 0.851 86 G HN 0.715 nan 8.290 nan 0.000 0.556 87 M N 1.895 121.290 119.600 -0.342 0.000 2.142 87 M HA 0.569 5.044 4.480 -0.008 0.000 0.299 87 M C -1.344 174.748 176.300 -0.346 0.000 0.960 87 M CA -0.589 54.511 55.300 -0.332 0.000 0.920 87 M CB 1.127 33.533 32.600 -0.323 0.000 1.541 87 M HN 0.316 nan 8.290 nan 0.000 0.429 88 L N 3.317 124.371 121.223 -0.282 0.000 2.322 88 L HA 0.623 4.959 4.340 -0.008 0.000 0.269 88 L C -0.222 176.483 176.870 -0.275 0.000 1.012 88 L CA -1.196 53.499 54.840 -0.241 0.000 0.815 88 L CB 1.861 43.859 42.059 -0.101 0.000 1.295 88 L HN 0.763 nan 8.230 nan 0.000 0.438 89 N N 0.355 118.891 118.700 -0.273 0.000 2.447 89 N HA 0.324 5.059 4.740 -0.008 0.000 0.271 89 N C 0.468 175.996 175.510 0.030 0.000 1.226 89 N CA -0.207 52.780 53.050 -0.105 0.000 0.980 89 N CB 0.939 39.323 38.487 -0.172 0.000 1.206 89 N HN 0.635 nan 8.380 nan 0.000 0.558 90 A N -0.554 122.338 122.820 0.119 0.000 2.172 90 A HA -0.090 4.225 4.320 -0.008 0.000 0.216 90 A C 1.840 179.448 177.584 0.041 0.000 1.154 90 A CA 1.319 53.399 52.037 0.072 0.000 0.701 90 A CB -1.356 17.704 19.000 0.100 0.000 0.789 90 A HN 0.814 nan 8.150 nan 0.000 0.465 91 S N -1.705 114.017 115.700 0.036 0.000 2.555 91 S HA 0.280 4.745 4.470 -0.008 0.000 0.230 91 S C 1.614 176.224 174.600 0.017 0.000 0.978 91 S CA 1.237 59.452 58.200 0.025 0.000 0.934 91 S CB -0.482 62.730 63.200 0.021 0.000 0.766 91 S HN 1.850 nan 8.310 nan 0.000 0.533 92 G N 0.361 109.165 108.800 0.006 0.000 2.253 92 G HA2 -0.166 3.789 3.960 -0.008 0.000 0.251 92 G HA3 -0.166 3.789 3.960 -0.008 0.000 0.251 92 G C 0.527 175.415 174.900 -0.020 0.000 0.998 92 G CA 0.029 45.132 45.100 0.006 0.000 0.621 92 G HN 1.180 nan 8.290 nan 0.000 0.524 93 G N -0.582 108.199 108.800 -0.030 0.000 2.594 93 G HA2 0.527 4.482 3.960 -0.008 0.000 0.243 93 G HA3 0.527 4.482 3.960 -0.008 0.000 0.243 93 G C 0.094 174.947 174.900 -0.078 0.000 1.229 93 G CA 0.371 45.446 45.100 -0.042 0.000 0.843 93 G HN 0.991 nan 8.290 nan 0.000 0.578 94 V N 2.408 122.295 119.914 -0.044 0.000 2.383 94 V HA 0.160 4.275 4.120 -0.008 0.000 0.275 94 V C 1.162 177.274 176.094 0.030 0.000 1.036 94 V CA -0.241 62.043 62.300 -0.026 0.000 0.889 94 V CB 1.245 33.099 31.823 0.051 0.000 0.985 94 V HN 0.707 nan 8.190 nan 0.000 0.459 95 I N 2.181 122.627 120.570 -0.207 0.000 2.333 95 I HA 0.093 4.258 4.170 -0.008 0.000 0.246 95 I C 0.666 176.482 176.117 -0.501 0.000 1.106 95 I CA 1.222 62.311 61.300 -0.352 0.000 1.411 95 I CB 0.278 37.854 38.000 -0.707 0.000 1.082 95 I HN 0.624 nan 8.210 nan 0.000 0.420 96 D N -0.614 119.516 120.400 -0.449 0.000 2.653 96 D HA 0.151 4.786 4.640 -0.008 0.000 0.258 96 D C -1.953 174.179 176.300 -0.280 0.000 1.252 96 D CA -0.540 53.114 54.000 -0.578 0.000 0.777 96 D CB 1.660 42.143 40.800 -0.528 0.000 1.339 96 D HN -0.002 nan 8.370 nan 0.000 0.422 97 D N 0.629 120.925 120.400 -0.173 0.000 2.181 97 D HA 0.621 5.256 4.640 -0.008 0.000 0.248 97 D C -0.215 175.983 176.300 -0.170 0.000 1.020 97 D CA -0.468 53.417 54.000 -0.192 0.000 0.891 97 D CB 1.566 42.344 40.800 -0.038 0.000 1.187 97 D HN 0.338 nan 8.370 nan 0.000 0.443 98 L N -2.039 119.040 121.223 -0.240 0.000 2.630 98 L HA 0.641 4.977 4.340 -0.008 0.000 0.258 98 L C -1.292 175.539 176.870 -0.065 0.000 1.072 98 L CA -1.154 53.612 54.840 -0.123 0.000 0.885 98 L CB 0.986 42.955 42.059 -0.151 0.000 1.502 98 L HN 0.268 nan 8.230 nan 0.000 0.406 99 I N 1.589 122.138 120.570 -0.035 0.000 2.441 99 I HA 0.708 4.873 4.170 -0.008 0.000 0.295 99 I C -0.562 175.465 176.117 -0.150 0.000 0.994 99 I CA -0.778 60.474 61.300 -0.079 0.000 1.144 99 I CB 1.846 39.769 38.000 -0.129 0.000 1.314 99 I HN 0.585 nan 8.210 nan 0.000 0.445 100 V N 7.631 127.412 119.914 -0.222 0.000 2.656 100 V HA 0.543 4.658 4.120 -0.008 0.000 0.307 100 V C -1.575 174.349 176.094 -0.284 0.000 1.051 100 V CA -0.369 61.838 62.300 -0.155 0.000 0.893 100 V CB 2.058 33.827 31.823 -0.089 0.000 0.999 100 V HN 0.539 nan 8.190 nan 0.000 0.426 101 Y N 5.504 125.728 120.300 -0.128 0.000 2.409 101 Y HA 0.530 5.075 4.550 -0.008 0.000 0.339 101 Y C -0.489 175.075 175.900 -0.560 0.000 1.033 101 Y CA -0.520 57.386 58.100 -0.322 0.000 1.094 101 Y CB 1.742 39.927 38.460 -0.459 0.000 1.210 101 Y HN 0.748 nan 8.280 nan 0.000 0.456 102 Y N 3.273 123.256 120.300 -0.528 0.000 2.341 102 Y HA 0.375 4.921 4.550 -0.008 0.000 0.340 102 Y C -0.794 174.608 175.900 -0.830 0.000 0.997 102 Y CA -1.150 56.440 58.100 -0.849 0.000 1.149 102 Y CB 0.353 38.549 38.460 -0.441 0.000 1.171 102 Y HN 0.579 nan 8.280 nan 0.000 0.494 103 F N 1.490 120.835 119.950 -1.010 0.000 2.479 103 F HA 0.232 4.754 4.527 -0.008 0.000 0.280 103 F C 1.135 176.329 175.800 -1.010 0.000 0.982 103 F CA 0.719 58.228 58.000 -0.818 0.000 1.276 103 F CB -0.440 38.136 39.000 -0.706 0.000 1.137 103 F HN 0.471 nan 8.300 nan 0.000 0.660 104 T N -3.087 111.025 114.554 -0.736 0.000 2.838 104 T HA 0.301 4.646 4.350 -0.008 0.000 0.292 104 T C 0.628 175.167 174.700 -0.269 0.000 1.113 104 T CA -0.609 61.199 62.100 -0.486 0.000 1.008 104 T CB 1.898 70.739 68.868 -0.046 0.000 1.259 104 T HN 0.088 nan 8.240 nan 0.000 0.520 105 E N 0.080 120.378 120.200 0.163 0.000 2.209 105 E HA -0.138 4.207 4.350 -0.008 0.000 0.196 105 E C 0.308 177.166 176.600 0.430 0.000 0.993 105 E CA 1.328 57.957 56.400 0.381 0.000 0.819 105 E CB -0.026 29.860 29.700 0.309 0.000 0.745 105 E HN 0.554 nan 8.360 nan 0.000 0.477 106 D N -1.066 119.512 120.400 0.295 0.000 2.402 106 D HA 0.080 4.715 4.640 -0.008 0.000 0.216 106 D C -0.748 175.803 176.300 0.419 0.000 1.128 106 D CA 0.067 54.263 54.000 0.327 0.000 0.833 106 D CB 0.249 41.171 40.800 0.204 0.000 0.971 106 D HN -0.034 nan 8.370 nan 0.000 0.503 107 F N 1.138 121.179 119.950 0.152 0.000 2.787 107 F HA 0.424 4.947 4.527 -0.007 0.000 0.340 107 F C -2.030 173.763 175.800 -0.013 0.000 1.232 107 F CA -1.552 56.540 58.000 0.154 0.000 1.051 107 F CB 0.413 39.480 39.000 0.113 0.000 1.330 107 F HN -0.340 nan 8.300 nan 0.000 0.522 108 F N 4.386 124.394 119.950 0.096 0.000 2.603 108 F HA 0.669 5.191 4.527 -0.008 0.000 0.317 108 F C -0.422 175.300 175.800 -0.129 0.000 1.066 108 F CA -0.893 56.987 58.000 -0.200 0.000 0.941 108 F CB 2.222 41.200 39.000 -0.037 0.000 1.291 108 F HN 0.457 nan 8.300 nan 0.000 0.472 109 R N 2.546 123.017 120.500 -0.047 0.000 2.621 109 R HA 0.784 5.119 4.340 -0.008 0.000 0.292 109 R C -2.139 174.249 176.300 0.146 0.000 0.969 109 R CA -0.527 55.636 56.100 0.104 0.000 0.887 109 R CB 1.353 31.704 30.300 0.085 0.000 1.180 109 R HN 0.768 nan 8.270 nan 0.000 0.450 110 L N 3.703 124.998 121.223 0.121 0.000 2.331 110 L HA 0.658 4.993 4.340 -0.008 0.000 0.275 110 L C -0.737 176.180 176.870 0.079 0.000 1.022 110 L CA -1.337 53.550 54.840 0.077 0.000 0.812 110 L CB 2.094 44.178 42.059 0.041 0.000 1.257 110 L HN 0.352 nan 8.230 nan 0.000 0.435 111 V N 2.723 122.671 119.914 0.057 0.000 2.525 111 V HA 0.555 4.671 4.120 -0.008 0.000 0.299 111 V C -0.266 175.818 176.094 -0.018 0.000 1.034 111 V CA -0.637 61.689 62.300 0.043 0.000 0.863 111 V CB 2.131 34.020 31.823 0.112 0.000 0.999 111 V HN 0.562 nan 8.190 nan 0.000 0.423 112 V N 1.570 121.456 119.914 -0.046 0.000 3.040 112 V HA 0.722 4.837 4.120 -0.008 0.000 0.312 112 V C -0.209 175.812 176.094 -0.121 0.000 1.115 112 V CA -1.029 61.219 62.300 -0.088 0.000 0.998 112 V CB 2.254 34.025 31.823 -0.088 0.000 1.042 112 V HN 0.675 nan 8.190 nan 0.000 0.433 113 N N 1.530 120.141 118.700 -0.148 0.000 2.416 113 N HA 0.116 4.852 4.740 -0.008 0.000 0.246 113 N C 1.352 176.770 175.510 -0.153 0.000 1.260 113 N CA 0.797 53.747 53.050 -0.166 0.000 0.897 113 N CB 1.466 39.868 38.487 -0.141 0.000 1.110 113 N HN 0.940 nan 8.380 nan 0.000 0.439 114 S N 1.530 117.125 115.700 -0.176 0.000 2.348 114 S HA -0.160 4.305 4.470 -0.008 0.000 0.221 114 S C 1.812 176.421 174.600 0.016 0.000 1.033 114 S CA 1.526 59.697 58.200 -0.049 0.000 1.010 114 S CB -0.228 63.005 63.200 0.056 0.000 0.891 114 S HN 0.666 nan 8.310 nan 0.000 0.442 115 A N 0.310 123.038 122.820 -0.153 0.000 2.024 115 A HA -0.063 4.253 4.320 -0.008 0.000 0.220 115 A C 2.106 179.600 177.584 -0.150 0.000 1.164 115 A CA 2.102 53.949 52.037 -0.316 0.000 0.643 115 A CB -0.986 17.507 19.000 -0.844 0.000 0.806 115 A HN 0.752 nan 8.150 nan 0.000 0.451 116 T N -3.290 111.175 114.554 -0.148 0.000 3.134 116 T HA 0.199 4.544 4.350 -0.008 0.000 0.260 116 T C 1.439 176.090 174.700 -0.082 0.000 1.027 116 T CA 0.257 62.266 62.100 -0.153 0.000 0.913 116 T CB 0.062 68.740 68.868 -0.317 0.000 1.046 116 T HN 0.534 nan 8.240 nan 0.000 0.553 117 R N 1.764 122.254 120.500 -0.016 0.000 2.094 117 R HA -0.167 4.169 4.340 -0.008 0.000 0.239 117 R C 1.813 178.135 176.300 0.037 0.000 1.137 117 R CA 1.823 57.939 56.100 0.026 0.000 0.943 117 R CB -0.167 30.193 30.300 0.099 0.000 0.850 117 R HN 0.263 nan 8.270 nan 0.000 0.433 118 E N 0.723 120.950 120.200 0.046 0.000 2.072 118 E HA -0.173 4.173 4.350 -0.008 0.000 0.190 118 E C 1.878 178.514 176.600 0.061 0.000 0.982 118 E CA 1.028 57.461 56.400 0.055 0.000 0.803 118 E CB -0.245 29.485 29.700 0.050 0.000 0.755 118 E HN 0.404 nan 8.360 nan 0.000 0.453 119 K N 0.856 121.280 120.400 0.041 0.000 2.032 119 K HA -0.183 4.133 4.320 -0.008 0.000 0.209 119 K C 1.425 178.073 176.600 0.080 0.000 1.048 119 K CA 1.780 58.097 56.287 0.051 0.000 0.927 119 K CB 0.074 32.570 32.500 -0.006 0.000 0.712 119 K HN -0.076 nan 8.250 nan 0.000 0.441 120 D N 0.831 121.245 120.400 0.023 0.000 2.117 120 D HA -0.121 4.515 4.640 -0.008 0.000 0.198 120 D C 2.030 178.420 176.300 0.150 0.000 0.982 120 D CA 0.866 54.897 54.000 0.052 0.000 0.828 120 D CB -0.169 40.614 40.800 -0.029 0.000 0.967 120 D HN 0.225 nan 8.370 nan 0.000 0.464 121 L N 0.529 121.817 121.223 0.109 0.000 2.083 121 L HA -0.164 4.171 4.340 -0.008 0.000 0.209 121 L C 2.508 179.466 176.870 0.147 0.000 1.083 121 L CA 1.057 55.969 54.840 0.120 0.000 0.752 121 L CB -0.409 41.703 42.059 0.088 0.000 0.899 121 L HN 0.041 nan 8.230 nan 0.000 0.433 122 S N -0.592 115.201 115.700 0.154 0.000 2.383 122 S HA -0.233 4.233 4.470 -0.008 0.000 0.227 122 S C 1.861 176.597 174.600 0.227 0.000 1.026 122 S CA 0.860 59.153 58.200 0.153 0.000 0.981 122 S CB -0.374 62.907 63.200 0.135 0.000 0.818 122 S HN 0.571 nan 8.310 nan 0.000 0.472 123 W N 1.738 123.102 121.300 0.106 0.000 2.379 123 W HA -0.096 4.561 4.660 -0.006 0.000 0.307 123 W C 1.780 178.477 176.519 0.297 0.000 1.200 123 W CA 1.229 58.690 57.345 0.193 0.000 1.297 123 W CB -0.540 28.971 29.460 0.084 0.000 1.140 123 W HN 0.350 nan 8.180 nan 0.000 0.507 124 I N 1.224 122.020 120.570 0.378 0.000 2.142 124 I HA -0.364 3.802 4.170 -0.008 0.000 0.240 124 I C 2.608 178.856 176.117 0.218 0.000 1.078 124 I CA 2.297 63.798 61.300 0.335 0.000 1.343 124 I CB -1.036 37.140 38.000 0.294 0.000 1.046 124 I HN -0.034 nan 8.210 nan 0.000 0.405 125 T N -1.716 112.915 114.554 0.129 0.000 2.904 125 T HA -0.232 4.114 4.350 -0.008 0.000 0.267 125 T C 1.777 176.470 174.700 -0.012 0.000 1.059 125 T CA 1.181 63.307 62.100 0.043 0.000 1.137 125 T CB -0.374 68.515 68.868 0.035 0.000 0.879 125 T HN 0.403 nan 8.240 nan 0.000 0.467 126 Q N 0.279 120.062 119.800 -0.029 0.000 2.046 126 Q HA -0.183 4.153 4.340 -0.008 0.000 0.200 126 Q C 2.087 177.945 176.000 -0.236 0.000 0.975 126 Q CA 1.648 57.355 55.803 -0.160 0.000 0.836 126 Q CB -0.204 28.382 28.738 -0.254 0.000 0.896 126 Q HN 0.769 nan 8.270 nan 0.000 0.428 127 H N -0.981 118.016 119.070 -0.121 0.000 2.470 127 H HA 0.143 4.695 4.556 -0.006 0.000 0.289 127 H C 1.648 177.069 175.328 0.154 0.000 1.033 127 H CA 1.077 57.145 56.048 0.034 0.000 1.331 127 H CB 0.167 29.942 29.762 0.023 0.000 1.414 127 H HN 0.407 nan 8.280 nan 0.000 0.545 128 A N 0.517 123.297 122.820 -0.067 0.000 2.016 128 A HA -0.133 4.183 4.320 -0.008 0.000 0.217 128 A C 2.107 179.579 177.584 -0.187 0.000 1.162 128 A CA 1.119 52.754 52.037 -0.670 0.000 0.662 128 A CB -0.251 18.284 19.000 -0.775 0.000 0.812 128 A HN 0.510 nan 8.150 nan 0.000 0.450 129 E N 0.294 120.428 120.200 -0.111 0.000 2.086 129 E HA -0.214 4.132 4.350 -0.008 0.000 0.205 129 E C -0.767 175.765 176.600 -0.114 0.000 1.027 129 E CA 1.938 58.278 56.400 -0.102 0.000 0.830 129 E CB -0.631 29.008 29.700 -0.102 0.000 0.751 129 E HN 0.466 nan 8.360 nan 0.000 0.456 130 P HA -0.090 nan 4.420 nan 0.000 0.226 130 P C 0.512 177.584 177.300 -0.379 0.000 1.153 130 P CA 0.953 63.870 63.100 -0.306 0.000 0.777 130 P CB -0.164 31.253 31.700 -0.472 0.000 0.794 131 F N -0.260 119.605 119.950 -0.143 0.000 2.748 131 F HA 0.264 4.786 4.527 -0.008 0.000 0.299 131 F C 1.756 177.494 175.800 -0.104 0.000 1.154 131 F CA 0.830 58.759 58.000 -0.120 0.000 1.446 131 F CB -0.981 37.920 39.000 -0.164 0.000 1.112 131 F HN -0.014 nan 8.300 nan 0.000 0.584 132 G N 1.624 110.429 108.800 0.010 0.000 2.246 132 G HA2 -0.311 3.644 3.960 -0.008 0.000 0.273 132 G HA3 -0.311 3.644 3.960 -0.008 0.000 0.273 132 G C 0.022 174.929 174.900 0.011 0.000 1.055 132 G CA -0.107 44.991 45.100 -0.003 0.000 0.851 132 G HN 0.335 nan 8.290 nan 0.000 0.500 133 I N -0.287 120.276 120.570 -0.012 0.000 2.488 133 I HA 0.341 4.506 4.170 -0.008 0.000 0.299 133 I C 0.754 176.870 176.117 -0.003 0.000 0.984 133 I CA -0.690 60.608 61.300 -0.003 0.000 1.250 133 I CB 1.554 39.519 38.000 -0.058 0.000 1.389 133 I HN 0.217 nan 8.210 nan 0.000 0.488 134 E N 6.034 126.247 120.200 0.022 0.000 2.105 134 E HA 0.361 4.707 4.350 -0.008 0.000 0.285 134 E C -1.113 175.513 176.600 0.042 0.000 1.055 134 E CA -0.369 56.042 56.400 0.018 0.000 0.843 134 E CB 0.628 30.332 29.700 0.006 0.000 1.067 134 E HN 0.392 nan 8.360 nan 0.000 0.398 135 I N 4.418 125.008 120.570 0.034 0.000 2.354 135 I HA 0.187 4.352 4.170 -0.008 0.000 0.286 135 I C -0.489 175.661 176.117 0.056 0.000 1.007 135 I CA -0.377 60.957 61.300 0.057 0.000 1.167 135 I CB 1.885 39.910 38.000 0.041 0.000 1.320 135 I HN 0.373 nan 8.210 nan 0.000 0.458 136 T N 5.680 120.279 114.554 0.075 0.000 2.772 136 T HA 0.359 4.705 4.350 -0.008 0.000 0.288 136 T C -0.042 174.698 174.700 0.066 0.000 0.994 136 T CA -0.495 61.641 62.100 0.060 0.000 0.951 136 T CB 1.417 70.316 68.868 0.052 0.000 0.933 136 T HN 0.121 nan 8.240 nan 0.000 0.447 137 V N 5.161 125.108 119.914 0.055 0.000 2.408 137 V HA 0.259 4.374 4.120 -0.008 0.000 0.267 137 V C 0.875 176.999 176.094 0.049 0.000 1.047 137 V CA -0.629 61.705 62.300 0.057 0.000 0.937 137 V CB 0.354 32.212 31.823 0.059 0.000 0.999 137 V HN 0.670 nan 8.190 nan 0.000 0.472 138 R N 2.943 123.470 120.500 0.045 0.000 4.518 138 R HA 0.172 4.507 4.340 -0.008 0.000 0.243 138 R C 0.371 176.698 176.300 0.046 0.000 1.720 138 R CA -0.250 55.870 56.100 0.033 0.000 1.526 138 R CB -0.339 29.967 30.300 0.011 0.000 1.425 138 R HN 0.626 nan 8.270 nan 0.000 0.787 139 D N 0.927 121.364 120.400 0.062 0.000 2.384 139 D HA -0.139 4.496 4.640 -0.008 0.000 0.222 139 D C 1.100 177.446 176.300 0.077 0.000 0.976 139 D CA 0.903 54.954 54.000 0.085 0.000 0.915 139 D CB 0.205 41.065 40.800 0.099 0.000 0.896 139 D HN 0.449 nan 8.370 nan 0.000 0.523 140 D N -0.166 120.266 120.400 0.054 0.000 2.363 140 D HA -0.107 4.528 4.640 -0.008 0.000 0.220 140 D C 0.680 177.009 176.300 0.049 0.000 0.994 140 D CA 0.164 54.192 54.000 0.046 0.000 0.890 140 D CB 0.293 41.109 40.800 0.028 0.000 0.906 140 D HN 0.216 nan 8.370 nan 0.000 0.530 141 L N 0.547 121.801 121.223 0.051 0.000 2.334 141 L HA 0.324 4.660 4.340 -0.008 0.000 0.276 141 L C 0.225 177.142 176.870 0.079 0.000 1.014 141 L CA -0.643 54.229 54.840 0.052 0.000 0.815 141 L CB 2.084 44.161 42.059 0.029 0.000 1.268 141 L HN -0.163 nan 8.230 nan 0.000 0.428 142 S N 2.334 118.093 115.700 0.099 0.000 2.745 142 S HA 0.723 5.189 4.470 -0.008 0.000 0.292 142 S C -0.635 174.053 174.600 0.148 0.000 1.133 142 S CA -0.602 57.674 58.200 0.126 0.000 0.998 142 S CB 1.822 65.109 63.200 0.145 0.000 1.087 142 S HN 0.564 nan 8.310 nan 0.000 0.551 143 M N 1.981 121.688 119.600 0.177 0.000 2.322 143 M HA 0.540 5.015 4.480 -0.008 0.000 0.286 143 M C -2.260 174.207 176.300 0.279 0.000 1.111 143 M CA -0.285 55.143 55.300 0.214 0.000 0.941 143 M CB 1.157 33.855 32.600 0.164 0.000 1.671 143 M HN 0.556 nan 8.290 nan 0.000 0.470 144 I N 3.457 124.231 120.570 0.340 0.000 2.436 144 I HA 0.606 4.772 4.170 -0.008 0.000 0.289 144 I C -0.269 176.060 176.117 0.354 0.000 1.010 144 I CA -0.685 60.848 61.300 0.388 0.000 1.098 144 I CB 2.115 40.376 38.000 0.435 0.000 1.266 144 I HN 0.772 nan 8.210 nan 0.000 0.434 145 A N 6.720 129.764 122.820 0.374 0.000 2.260 145 A HA 0.709 5.024 4.320 -0.008 0.000 0.308 145 A C -0.587 177.201 177.584 0.341 0.000 1.254 145 A CA -0.410 51.840 52.037 0.356 0.000 0.874 145 A CB 0.625 19.846 19.000 0.367 0.000 1.153 145 A HN 0.457 nan 8.150 nan 0.000 0.527 146 V N 4.586 124.651 119.914 0.251 0.000 2.378 146 V HA 0.430 4.546 4.120 -0.008 0.000 0.288 146 V C -0.547 175.609 176.094 0.103 0.000 1.016 146 V CA -0.470 61.908 62.300 0.129 0.000 0.840 146 V CB 1.113 32.992 31.823 0.093 0.000 0.994 146 V HN 0.929 nan 8.190 nan 0.000 0.431 147 Q N 2.686 122.541 119.800 0.090 0.000 2.372 147 Q HA 0.829 5.165 4.340 -0.008 0.000 0.273 147 Q C 0.005 176.007 176.000 0.003 0.000 1.078 147 Q CA -0.354 55.499 55.803 0.084 0.000 0.806 147 Q CB 2.893 31.761 28.738 0.217 0.000 1.332 147 Q HN 1.072 nan 8.270 nan 0.000 0.435 148 G N 1.793 110.571 108.800 -0.037 0.000 2.326 148 G HA2 0.008 3.963 3.960 -0.008 0.000 0.413 148 G HA3 0.008 3.963 3.960 -0.008 0.000 0.413 148 G C -2.578 172.266 174.900 -0.094 0.000 1.444 148 G CA -0.658 44.397 45.100 -0.076 0.000 1.002 148 G HN 0.326 nan 8.290 nan 0.000 0.649 149 P HA -0.024 nan 4.420 nan 0.000 0.223 149 P C 0.743 177.984 177.300 -0.098 0.000 1.151 149 P CA 0.927 63.973 63.100 -0.089 0.000 0.787 149 P CB 0.196 31.847 31.700 -0.081 0.000 0.788 150 N N -0.576 118.060 118.700 -0.107 0.000 2.236 150 N HA 0.142 4.878 4.740 -0.008 0.000 0.196 150 N C 1.594 177.028 175.510 -0.127 0.000 1.114 150 N CA 0.286 53.270 53.050 -0.109 0.000 0.859 150 N CB -0.180 38.246 38.487 -0.103 0.000 0.982 150 N HN 0.059 nan 8.380 nan 0.000 0.493 151 A N 1.333 124.070 122.820 -0.138 0.000 1.858 151 A HA -0.189 4.126 4.320 -0.008 0.000 0.216 151 A C 2.113 179.590 177.584 -0.178 0.000 1.190 151 A CA 1.268 53.217 52.037 -0.146 0.000 0.617 151 A CB -0.446 18.479 19.000 -0.124 0.000 0.827 151 A HN 0.256 nan 8.150 nan 0.000 0.443 152 Q N -0.715 118.914 119.800 -0.285 0.000 2.096 152 Q HA -0.136 4.200 4.340 -0.008 0.000 0.204 152 Q C 2.433 178.366 176.000 -0.111 0.000 0.982 152 Q CA 1.472 57.042 55.803 -0.389 0.000 0.850 152 Q CB -0.399 27.996 28.738 -0.572 0.000 0.901 152 Q HN 0.689 nan 8.270 nan 0.000 0.422 153 A N 1.375 124.127 122.820 -0.114 0.000 1.898 153 A HA -0.196 4.119 4.320 -0.008 0.000 0.216 153 A C 1.923 179.436 177.584 -0.118 0.000 1.181 153 A CA 1.427 53.412 52.037 -0.087 0.000 0.620 153 A CB -0.250 18.705 19.000 -0.075 0.000 0.819 153 A HN 0.171 nan 8.150 nan 0.000 0.442 154 K N -0.308 120.014 120.400 -0.130 0.000 2.025 154 K HA -0.029 4.286 4.320 -0.008 0.000 0.207 154 K C 2.307 178.794 176.600 -0.188 0.000 1.049 154 K CA 1.125 57.323 56.287 -0.147 0.000 0.933 154 K CB -0.309 32.101 32.500 -0.150 0.000 0.714 154 K HN 0.424 nan 8.250 nan 0.000 0.438 155 A N 1.454 124.161 122.820 -0.188 0.000 1.930 155 A HA -0.088 4.227 4.320 -0.008 0.000 0.217 155 A C 2.349 179.483 177.584 -0.751 0.000 1.175 155 A CA 1.717 53.596 52.037 -0.262 0.000 0.627 155 A CB -0.652 18.349 19.000 0.003 0.000 0.815 155 A HN 0.330 nan 8.150 nan 0.000 0.443 156 A N -0.025 122.361 122.820 -0.723 0.000 1.978 156 A HA -0.122 4.193 4.320 -0.008 0.000 0.220 156 A C 2.357 179.669 177.584 -0.452 0.000 1.170 156 A CA 2.393 53.901 52.037 -0.882 0.000 0.636 156 A CB -1.474 17.402 19.000 -0.207 0.000 0.810 156 A HN 0.856 nan 8.150 nan 0.000 0.448 157 T N -1.849 112.549 114.554 -0.261 0.000 2.977 157 T HA -0.018 4.327 4.350 -0.008 0.000 0.271 157 T C 1.406 176.063 174.700 -0.071 0.000 1.105 157 T CA 1.478 63.504 62.100 -0.123 0.000 1.116 157 T CB -0.456 68.357 68.868 -0.092 0.000 0.878 157 T HN 0.368 nan 8.240 nan 0.000 0.509 158 L N -1.057 120.105 121.223 -0.102 0.000 2.585 158 L HA 0.390 4.725 4.340 -0.008 0.000 0.226 158 L C 0.369 177.399 176.870 0.267 0.000 1.113 158 L CA -0.495 54.402 54.840 0.096 0.000 0.876 158 L CB -0.157 42.028 42.059 0.209 0.000 1.072 158 L HN 0.149 nan 8.230 nan 0.000 0.468 159 F N 1.504 121.497 119.950 0.072 0.000 2.403 159 F HA 0.151 4.673 4.527 -0.007 0.000 0.320 159 F C 1.028 176.829 175.800 0.000 0.000 1.176 159 F CA -1.714 56.293 58.000 0.012 0.000 1.206 159 F CB -0.046 38.950 39.000 -0.007 0.000 1.235 159 F HN 0.104 nan 8.300 nan 0.000 0.565 160 N N -0.073 118.727 118.700 0.167 0.000 2.418 160 N HA 0.088 4.824 4.740 -0.008 0.000 0.283 160 N C 0.241 175.797 175.510 0.077 0.000 1.267 160 N CA -0.377 52.724 53.050 0.084 0.000 0.975 160 N CB 0.131 38.634 38.487 0.027 0.000 1.167 160 N HN 0.321 nan 8.380 nan 0.000 0.581 161 D N -0.551 119.875 120.400 0.042 0.000 2.144 161 D HA -0.064 4.572 4.640 -0.008 0.000 0.199 161 D C 1.725 178.029 176.300 0.008 0.000 0.984 161 D CA 1.757 55.777 54.000 0.033 0.000 0.834 161 D CB -0.647 40.165 40.800 0.019 0.000 0.955 161 D HN 0.687 nan 8.370 nan 0.000 0.465 162 A N 0.748 123.557 122.820 -0.018 0.000 1.908 162 A HA -0.256 4.059 4.320 -0.008 0.000 0.218 162 A C 2.147 179.678 177.584 -0.088 0.000 1.181 162 A CA 1.610 53.617 52.037 -0.049 0.000 0.627 162 A CB -0.641 18.323 19.000 -0.060 0.000 0.818 162 A HN 0.214 nan 8.150 nan 0.000 0.445 163 Q N -0.815 118.913 119.800 -0.121 0.000 2.050 163 Q HA -0.138 4.197 4.340 -0.008 0.000 0.202 163 Q C 2.391 178.294 176.000 -0.161 0.000 0.980 163 Q CA 1.608 57.248 55.803 -0.271 0.000 0.840 163 Q CB -0.163 28.283 28.738 -0.486 0.000 0.898 163 Q HN 0.618 nan 8.270 nan 0.000 0.424 164 R N 0.255 120.796 120.500 0.068 0.000 2.081 164 R HA -0.198 4.137 4.340 -0.008 0.000 0.235 164 R C 2.326 178.662 176.300 0.059 0.000 1.131 164 R CA 1.600 57.802 56.100 0.170 0.000 0.960 164 R CB -0.188 30.212 30.300 0.168 0.000 0.856 164 R HN 0.321 nan 8.270 nan 0.000 0.436 165 Q N 0.192 119.998 119.800 0.010 0.000 2.119 165 Q HA -0.116 4.220 4.340 -0.008 0.000 0.201 165 Q C 1.999 177.978 176.000 -0.035 0.000 0.972 165 Q CA 1.530 57.328 55.803 -0.008 0.000 0.847 165 Q CB -0.037 28.691 28.738 -0.016 0.000 0.903 165 Q HN 0.377 nan 8.270 nan 0.000 0.433 166 A N 0.185 122.962 122.820 -0.072 0.000 1.972 166 A HA -0.125 4.191 4.320 -0.008 0.000 0.219 166 A C 1.896 179.420 177.584 -0.100 0.000 1.169 166 A CA 1.595 53.571 52.037 -0.102 0.000 0.635 166 A CB -0.513 18.394 19.000 -0.154 0.000 0.810 166 A HN 0.457 nan 8.150 nan 0.000 0.446 167 V N -2.009 117.858 119.914 -0.078 0.000 3.542 167 V HA 0.265 4.380 4.120 -0.008 0.000 0.296 167 V C 0.334 176.456 176.094 0.048 0.000 1.364 167 V CA 0.355 62.639 62.300 -0.027 0.000 1.118 167 V CB -0.769 31.030 31.823 -0.040 0.000 0.972 167 V HN 0.406 nan 8.190 nan 0.000 0.430 168 E N 1.959 122.175 120.200 0.026 0.000 2.415 168 E HA 0.409 4.755 4.350 -0.008 0.000 0.260 168 E C 1.433 178.041 176.600 0.015 0.000 1.016 168 E CA 1.181 57.603 56.400 0.036 0.000 0.924 168 E CB 0.021 29.732 29.700 0.018 0.000 0.961 168 E HN 0.811 nan 8.360 nan 0.000 0.459 169 G N 4.383 113.202 108.800 0.032 0.000 2.180 169 G HA2 -0.393 3.562 3.960 -0.008 0.000 0.263 169 G HA3 -0.393 3.562 3.960 -0.008 0.000 0.263 169 G C 0.411 175.310 174.900 -0.002 0.000 0.989 169 G CA 0.502 45.611 45.100 0.014 0.000 0.692 169 G HN 0.620 nan 8.290 nan 0.000 0.526 170 M N 0.555 120.162 119.600 0.011 0.000 2.290 170 M HA 0.346 4.821 4.480 -0.008 0.000 0.356 170 M C 0.875 177.205 176.300 0.050 0.000 1.448 170 M CA 0.620 55.905 55.300 -0.025 0.000 0.993 170 M CB 0.237 32.864 32.600 0.045 0.000 1.934 170 M HN 0.245 nan 8.290 nan 0.000 0.461 171 K N 5.651 126.063 120.400 0.019 0.000 2.120 171 K HA 0.392 4.707 4.320 -0.008 0.000 0.245 171 K C -2.441 174.389 176.600 0.383 0.000 1.024 171 K CA -1.216 55.184 56.287 0.189 0.000 0.906 171 K CB -0.081 32.550 32.500 0.218 0.000 1.051 171 K HN 0.390 nan 8.250 nan 0.000 0.491 172 P HA -0.007 nan 4.420 nan 0.000 0.267 172 P C -0.797 176.826 177.300 0.538 0.000 1.200 172 P CA 0.100 63.435 63.100 0.392 0.000 0.772 172 P CB 0.149 32.029 31.700 0.301 0.000 0.855 173 F N -0.972 119.088 119.950 0.184 0.000 2.975 173 F HA -0.183 4.339 4.527 -0.008 0.000 0.319 173 F C -0.478 175.284 175.800 -0.063 0.000 0.976 173 F CA 0.905 58.936 58.000 0.051 0.000 1.072 173 F CB -2.133 36.839 39.000 -0.048 0.000 1.165 173 F HN 0.139 nan 8.300 nan 0.000 0.758 174 F N -0.427 119.652 119.950 0.214 0.000 2.599 174 F HA 0.770 5.292 4.527 -0.008 0.000 0.311 174 F C 0.550 176.481 175.800 0.218 0.000 1.076 174 F CA -0.664 57.470 58.000 0.223 0.000 0.937 174 F CB 2.261 41.354 39.000 0.154 0.000 1.282 174 F HN 0.016 nan 8.300 nan 0.000 0.460 175 G N 0.884 109.930 108.800 0.409 0.000 2.638 175 G HA2 0.611 4.566 3.960 -0.008 0.000 0.302 175 G HA3 0.611 4.566 3.960 -0.008 0.000 0.302 175 G C -2.347 172.420 174.900 -0.222 0.000 1.365 175 G CA -0.926 44.042 45.100 -0.219 0.000 0.987 175 G HN 0.685 nan 8.290 nan 0.000 0.495 176 V N 1.185 120.711 119.914 -0.647 0.000 2.808 176 V HA 0.672 4.787 4.120 -0.008 0.000 0.308 176 V C -1.145 174.726 176.094 -0.372 0.000 1.099 176 V CA -0.819 61.304 62.300 -0.295 0.000 0.920 176 V CB 2.153 33.872 31.823 -0.173 0.000 1.014 176 V HN 0.865 nan 8.190 nan 0.000 0.425 177 Q N 4.146 123.888 119.800 -0.096 0.000 2.267 177 Q HA 0.782 5.117 4.340 -0.008 0.000 0.255 177 Q C -0.531 175.384 176.000 -0.142 0.000 0.923 177 Q CA 0.443 56.217 55.803 -0.048 0.000 0.925 177 Q CB 1.641 30.356 28.738 -0.039 0.000 1.195 177 Q HN 1.166 nan 8.270 nan 0.000 0.417 178 A N 3.886 126.595 122.820 -0.185 0.000 2.569 178 A HA 0.683 4.998 4.320 -0.008 0.000 0.282 178 A C 0.409 177.882 177.584 -0.184 0.000 1.165 178 A CA -0.009 51.910 52.037 -0.198 0.000 0.747 178 A CB 0.252 19.082 19.000 -0.283 0.000 1.215 178 A HN 1.143 nan 8.150 nan 0.000 0.431 179 G N 2.906 111.627 108.800 -0.132 0.000 2.611 179 G HA2 -0.367 3.588 3.960 -0.008 0.000 0.301 179 G HA3 -0.367 3.588 3.960 -0.008 0.000 0.301 179 G C 0.712 175.544 174.900 -0.112 0.000 1.233 179 G CA 1.096 46.129 45.100 -0.112 0.000 0.993 179 G HN 1.374 nan 8.290 nan 0.000 0.553 180 D N 0.842 121.170 120.400 -0.120 0.000 2.371 180 D HA 0.069 4.704 4.640 -0.008 0.000 0.221 180 D C 1.188 177.409 176.300 -0.133 0.000 0.986 180 D CA 0.685 54.619 54.000 -0.110 0.000 0.899 180 D CB -0.054 40.683 40.800 -0.105 0.000 0.902 180 D HN 0.492 nan 8.370 nan 0.000 0.530 181 L N 0.339 121.453 121.223 -0.180 0.000 2.341 181 L HA 0.392 4.727 4.340 -0.008 0.000 0.278 181 L C -1.005 175.781 176.870 -0.140 0.000 1.005 181 L CA -1.205 53.507 54.840 -0.214 0.000 0.818 181 L CB 1.891 43.712 42.059 -0.396 0.000 1.259 181 L HN -0.158 nan 8.230 nan 0.000 0.418 182 F N 5.046 124.869 119.950 -0.212 0.000 2.388 182 F HA 0.568 5.091 4.527 -0.006 0.000 0.358 182 F C -0.434 175.252 175.800 -0.190 0.000 1.122 182 F CA -0.505 57.369 58.000 -0.209 0.000 1.056 182 F CB 0.722 39.612 39.000 -0.184 0.000 1.155 182 F HN 0.199 nan 8.300 nan 0.000 0.461 183 I N 6.335 126.444 120.570 -0.767 0.000 2.362 183 I HA 0.628 4.793 4.170 -0.008 0.000 0.289 183 I C -0.504 175.249 176.117 -0.606 0.000 0.994 183 I CA -0.725 60.221 61.300 -0.589 0.000 1.158 183 I CB 1.480 39.078 38.000 -0.671 0.000 1.315 183 I HN 0.725 nan 8.210 nan 0.000 0.451 184 A N 3.270 125.921 122.820 -0.282 0.000 2.371 184 A HA 0.649 4.965 4.320 -0.008 0.000 0.311 184 A C 0.090 177.796 177.584 0.204 0.000 1.068 184 A CA -0.609 51.380 52.037 -0.080 0.000 0.744 184 A CB 1.129 20.145 19.000 0.027 0.000 1.239 184 A HN 0.715 nan 8.150 nan 0.000 0.435 185 T N 0.529 115.233 114.554 0.250 0.000 3.945 185 T HA 0.464 4.810 4.350 -0.008 0.000 0.306 185 T C 0.351 175.122 174.700 0.118 0.000 1.475 185 T CA 0.232 62.495 62.100 0.272 0.000 1.177 185 T CB -1.275 67.775 68.868 0.303 0.000 1.272 185 T HN 0.986 nan 8.240 nan 0.000 0.930 186 T N -1.261 113.328 114.554 0.058 0.000 2.887 186 T HA 0.910 5.255 4.350 -0.008 0.000 0.292 186 T C -0.056 174.679 174.700 0.058 0.000 1.087 186 T CA -0.708 61.326 62.100 -0.110 0.000 1.009 186 T CB 2.206 70.920 68.868 -0.257 0.000 1.203 186 T HN 0.787 nan 8.240 nan 0.000 0.518 187 G N -0.908 107.944 108.800 0.087 0.000 2.451 187 G HA2 0.443 4.398 3.960 -0.008 0.000 0.292 187 G HA3 0.443 4.398 3.960 -0.008 0.000 0.292 187 G C -1.896 173.127 174.900 0.205 0.000 1.427 187 G CA -0.649 44.532 45.100 0.136 0.000 0.792 187 G HN 0.668 nan 8.290 nan 0.000 0.498 188 Y N 0.944 121.233 120.300 -0.019 0.000 2.716 188 Y HA 0.366 4.912 4.550 -0.007 0.000 0.260 188 Y C 1.790 177.648 175.900 -0.071 0.000 1.141 188 Y CA 0.262 58.333 58.100 -0.048 0.000 1.168 188 Y CB 0.406 38.811 38.460 -0.092 0.000 1.189 188 Y HN 0.688 nan 8.280 nan 0.000 0.549 189 T N -5.480 109.070 114.554 -0.007 0.000 2.969 189 T HA 0.324 4.670 4.350 -0.008 0.000 0.258 189 T C 1.536 176.203 174.700 -0.054 0.000 0.962 189 T CA 0.427 62.483 62.100 -0.074 0.000 0.903 189 T CB 0.197 69.057 68.868 -0.014 0.000 1.177 189 T HN 0.388 nan 8.240 nan 0.000 0.511 190 G N 1.339 110.128 108.800 -0.019 0.000 2.136 190 G HA2 -0.168 3.787 3.960 -0.008 0.000 0.242 190 G HA3 -0.168 3.787 3.960 -0.008 0.000 0.242 190 G C -0.261 174.630 174.900 -0.014 0.000 0.989 190 G CA 0.167 45.257 45.100 -0.017 0.000 0.682 190 G HN 0.611 nan 8.290 nan 0.000 0.522 191 E N -0.424 119.773 120.200 -0.005 0.000 2.299 191 E HA 0.773 5.118 4.350 -0.008 0.000 0.260 191 E C 0.717 177.315 176.600 -0.004 0.000 0.944 191 E CA -0.024 56.366 56.400 -0.017 0.000 0.815 191 E CB 1.550 31.232 29.700 -0.029 0.000 1.252 191 E HN 0.684 nan 8.360 nan 0.000 0.418 192 A N -0.006 122.797 122.820 -0.028 0.000 2.327 192 A HA 0.687 5.003 4.320 -0.008 0.000 0.255 192 A C 0.508 178.046 177.584 -0.077 0.000 1.099 192 A CA 0.779 52.790 52.037 -0.043 0.000 0.801 192 A CB 0.219 19.175 19.000 -0.074 0.000 1.062 192 A HN 0.613 nan 8.150 nan 0.000 0.496 193 G N -1.824 106.889 108.800 -0.145 0.000 2.327 193 G HA2 0.465 4.421 3.960 -0.008 0.000 0.291 193 G HA3 0.465 4.421 3.960 -0.008 0.000 0.291 193 G C -1.860 172.931 174.900 -0.182 0.000 1.290 193 G CA -0.713 44.280 45.100 -0.179 0.000 0.857 193 G HN 0.747 nan 8.290 nan 0.000 0.520 194 Y N 0.063 120.433 120.300 0.115 0.000 2.570 194 Y HA 0.681 5.226 4.550 -0.008 0.000 0.345 194 Y C 0.179 176.168 175.900 0.148 0.000 1.014 194 Y CA -1.124 57.055 58.100 0.132 0.000 1.063 194 Y CB 2.266 40.834 38.460 0.182 0.000 1.272 194 Y HN 0.499 nan 8.280 nan 0.000 0.477 195 E N 2.417 122.812 120.200 0.325 0.000 2.158 195 E HA 0.582 4.927 4.350 -0.008 0.000 0.271 195 E C -1.286 175.458 176.600 0.240 0.000 0.911 195 E CA -0.499 56.062 56.400 0.269 0.000 0.767 195 E CB 2.058 31.888 29.700 0.217 0.000 1.120 195 E HN 0.444 nan 8.360 nan 0.000 0.405 196 I N 2.436 123.175 120.570 0.281 0.000 2.410 196 I HA 0.395 4.560 4.170 -0.008 0.000 0.286 196 I C -0.382 175.884 176.117 0.247 0.000 1.009 196 I CA -0.661 60.788 61.300 0.248 0.000 1.111 196 I CB 1.712 39.950 38.000 0.396 0.000 1.262 196 I HN 0.455 nan 8.210 nan 0.000 0.443 197 A N 8.209 131.156 122.820 0.211 0.000 2.305 197 A HA 0.965 5.281 4.320 -0.008 0.000 0.322 197 A C -0.553 177.087 177.584 0.092 0.000 1.187 197 A CA -0.406 51.734 52.037 0.173 0.000 0.825 197 A CB 1.077 20.179 19.000 0.170 0.000 1.164 197 A HN 0.793 nan 8.150 nan 0.000 0.498 198 L N -0.777 120.486 121.223 0.068 0.000 2.720 198 L HA 0.738 5.074 4.340 -0.008 0.000 0.261 198 L C -3.164 173.724 176.870 0.030 0.000 1.046 198 L CA -2.596 52.246 54.840 0.004 0.000 0.886 198 L CB 1.633 43.648 42.059 -0.073 0.000 1.493 198 L HN 0.284 nan 8.230 nan 0.000 0.407 199 P HA 0.137 nan 4.420 nan 0.000 0.266 199 P C -0.117 177.215 177.300 0.053 0.000 1.195 199 P CA -0.002 63.114 63.100 0.026 0.000 0.768 199 P CB 0.459 32.165 31.700 0.010 0.000 0.838 200 N N 2.991 121.728 118.700 0.062 0.000 2.091 200 N HA -0.213 4.522 4.740 -0.008 0.000 0.193 200 N C 1.390 176.943 175.510 0.071 0.000 1.021 200 N CA 1.453 54.550 53.050 0.077 0.000 0.862 200 N CB -0.479 38.054 38.487 0.077 0.000 1.018 200 N HN 0.602 nan 8.380 nan 0.000 0.429 201 E N 1.030 121.263 120.200 0.055 0.000 2.409 201 E HA -0.121 4.225 4.350 -0.008 0.000 0.198 201 E C 0.799 177.436 176.600 0.060 0.000 1.024 201 E CA 0.970 57.401 56.400 0.052 0.000 0.861 201 E CB -0.127 29.595 29.700 0.038 0.000 0.788 201 E HN 0.362 nan 8.360 nan 0.000 0.521 202 K N 0.052 120.492 120.400 0.067 0.000 2.354 202 K HA 0.293 4.608 4.320 -0.008 0.000 0.194 202 K C 2.018 178.707 176.600 0.149 0.000 1.038 202 K CA 0.464 56.800 56.287 0.082 0.000 1.052 202 K CB 0.422 32.943 32.500 0.036 0.000 0.861 202 K HN 0.119 nan 8.250 nan 0.000 0.535 203 A N 1.898 124.811 122.820 0.156 0.000 1.873 203 A HA -0.217 4.098 4.320 -0.008 0.000 0.218 203 A C 2.397 180.125 177.584 0.240 0.000 1.193 203 A CA 2.209 54.381 52.037 0.226 0.000 0.629 203 A CB -0.819 18.279 19.000 0.163 0.000 0.826 203 A HN 0.308 nan 8.150 nan 0.000 0.447 204 A N -0.347 122.556 122.820 0.139 0.000 1.908 204 A HA -0.213 4.102 4.320 -0.008 0.000 0.218 204 A C 1.807 179.510 177.584 0.197 0.000 1.181 204 A CA 2.053 54.157 52.037 0.113 0.000 0.627 204 A CB -0.655 18.377 19.000 0.054 0.000 0.818 204 A HN 0.487 nan 8.150 nan 0.000 0.445 205 D N -1.273 119.239 120.400 0.187 0.000 2.117 205 D HA -0.106 4.530 4.640 -0.008 0.000 0.198 205 D C 1.602 178.063 176.300 0.268 0.000 0.982 205 D CA 1.012 55.125 54.000 0.189 0.000 0.828 205 D CB -0.419 40.472 40.800 0.151 0.000 0.967 205 D HN 0.390 nan 8.370 nan 0.000 0.464 206 F N 0.802 120.832 119.950 0.133 0.000 2.102 206 F HA -0.146 4.376 4.527 -0.008 0.000 0.298 206 F C 2.170 178.069 175.800 0.165 0.000 1.105 206 F CA 1.051 59.133 58.000 0.138 0.000 1.239 206 F CB -0.579 38.514 39.000 0.154 0.000 0.991 206 F HN 0.119 nan 8.300 nan 0.000 0.474 207 W N 1.890 123.175 121.300 -0.025 0.000 2.335 207 W HA -0.246 4.409 4.660 -0.007 0.000 0.311 207 W C 2.337 178.774 176.519 -0.136 0.000 1.213 207 W CA 2.138 59.394 57.345 -0.149 0.000 1.274 207 W CB -0.566 28.840 29.460 -0.090 0.000 1.148 207 W HN 0.049 nan 8.180 nan 0.000 0.498 208 R N 0.398 121.015 120.500 0.195 0.000 2.096 208 R HA -0.206 4.130 4.340 -0.008 0.000 0.240 208 R C 2.541 178.801 176.300 -0.066 0.000 1.139 208 R CA 2.285 58.420 56.100 0.059 0.000 0.952 208 R CB -1.154 29.203 30.300 0.096 0.000 0.854 208 R HN 0.172 nan 8.270 nan 0.000 0.436 209 A N 1.148 123.944 122.820 -0.039 0.000 1.908 209 A HA -0.156 4.159 4.320 -0.008 0.000 0.218 209 A C 2.219 179.689 177.584 -0.191 0.000 1.181 209 A CA 1.328 53.327 52.037 -0.063 0.000 0.627 209 A CB -0.557 18.471 19.000 0.047 0.000 0.818 209 A HN 0.201 nan 8.150 nan 0.000 0.445 210 L N -0.806 120.206 121.223 -0.351 0.000 2.056 210 L HA -0.140 4.195 4.340 -0.008 0.000 0.207 210 L C 2.539 179.146 176.870 -0.439 0.000 1.078 210 L CA 0.952 55.514 54.840 -0.462 0.000 0.749 210 L CB -0.496 41.160 42.059 -0.670 0.000 0.901 210 L HN 0.244 nan 8.230 nan 0.000 0.433 211 V N -0.314 119.309 119.914 -0.485 0.000 2.343 211 V HA -0.269 3.846 4.120 -0.008 0.000 0.247 211 V C 2.604 178.548 176.094 -0.250 0.000 1.051 211 V CA 1.848 63.900 62.300 -0.414 0.000 1.036 211 V CB -0.469 31.137 31.823 -0.361 0.000 0.654 211 V HN 0.481 nan 8.190 nan 0.000 0.451 212 E N 0.616 120.703 120.200 -0.187 0.000 2.072 212 E HA -0.165 4.180 4.350 -0.008 0.000 0.191 212 E C 2.107 178.629 176.600 -0.129 0.000 0.985 212 E CA 1.394 57.719 56.400 -0.126 0.000 0.801 212 E CB -0.184 29.466 29.700 -0.084 0.000 0.750 212 E HN 0.525 nan 8.360 nan 0.000 0.452 213 A N 0.057 122.785 122.820 -0.153 0.000 2.259 213 A HA 0.086 4.402 4.320 -0.008 0.000 0.212 213 A C 1.491 178.981 177.584 -0.156 0.000 1.178 213 A CA 1.299 53.250 52.037 -0.144 0.000 0.734 213 A CB -0.711 18.195 19.000 -0.157 0.000 0.774 213 A HN 0.402 nan 8.150 nan 0.000 0.481 214 G N -1.804 106.893 108.800 -0.173 0.000 2.142 214 G HA2 -0.142 3.813 3.960 -0.008 0.000 0.225 214 G HA3 -0.142 3.813 3.960 -0.008 0.000 0.225 214 G C -0.079 174.701 174.900 -0.201 0.000 1.015 214 G CA -0.009 44.992 45.100 -0.165 0.000 0.716 214 G HN 0.910 nan 8.290 nan 0.000 0.508 215 V N 0.644 120.397 119.914 -0.268 0.000 2.364 215 V HA 0.426 4.542 4.120 -0.008 0.000 0.272 215 V C 0.813 176.675 176.094 -0.387 0.000 1.036 215 V CA -0.749 61.360 62.300 -0.318 0.000 0.880 215 V CB 1.559 33.163 31.823 -0.365 0.000 0.991 215 V HN 0.416 nan 8.190 nan 0.000 0.460 216 K N 6.560 126.763 120.400 -0.329 0.000 2.339 216 K HA 0.288 4.603 4.320 -0.008 0.000 0.286 216 K C -2.525 173.798 176.600 -0.463 0.000 1.050 216 K CA -1.597 54.487 56.287 -0.338 0.000 0.956 216 K CB 0.863 33.231 32.500 -0.220 0.000 0.990 216 K HN 0.362 nan 8.250 nan 0.000 0.475 217 P HA 0.009 nan 4.420 nan 0.000 0.267 217 P C -1.074 175.922 177.300 -0.507 0.000 1.205 217 P CA -0.308 62.366 63.100 -0.710 0.000 0.765 217 P CB 0.569 31.591 31.700 -1.131 0.000 0.828 218 C N 3.587 122.714 119.300 -0.288 0.000 2.498 218 C HA 0.754 5.210 4.460 -0.008 0.000 0.316 218 C C 1.018 176.142 174.990 0.224 0.000 1.209 218 C CA -0.308 58.636 59.018 -0.123 0.000 1.518 218 C CB 1.497 28.819 27.740 -0.697 0.000 2.147 218 C HN 0.663 nan 8.230 nan 0.000 0.483 219 G N 1.053 110.060 108.800 0.345 0.000 2.568 219 G HA2 0.500 4.456 3.960 -0.008 0.000 0.293 219 G HA3 0.500 4.456 3.960 -0.008 0.000 0.293 219 G C 0.823 175.871 174.900 0.245 0.000 1.347 219 G CA -0.642 44.579 45.100 0.202 0.000 1.039 219 G HN 0.777 nan 8.290 nan 0.000 0.523 220 L N 0.173 121.410 121.223 0.023 0.000 2.081 220 L HA -0.127 4.209 4.340 -0.008 0.000 0.212 220 L C 3.022 179.914 176.870 0.038 0.000 1.080 220 L CA 1.554 56.353 54.840 -0.068 0.000 0.754 220 L CB -0.645 41.229 42.059 -0.308 0.000 0.893 220 L HN 0.673 nan 8.230 nan 0.000 0.433 221 G N -0.551 108.303 108.800 0.089 0.000 2.414 221 G HA2 -0.171 3.784 3.960 -0.008 0.000 0.215 221 G HA3 -0.171 3.784 3.960 -0.008 0.000 0.215 221 G C 1.787 176.775 174.900 0.147 0.000 1.188 221 G CA 0.733 45.898 45.100 0.109 0.000 0.783 221 G HN 0.456 nan 8.290 nan 0.000 0.537 222 A N 0.711 123.664 122.820 0.221 0.000 1.933 222 A HA -0.014 4.301 4.320 -0.008 0.000 0.218 222 A C 2.306 180.045 177.584 0.259 0.000 1.175 222 A CA 1.883 54.089 52.037 0.281 0.000 0.628 222 A CB -0.479 18.725 19.000 0.339 0.000 0.814 222 A HN 0.379 nan 8.150 nan 0.000 0.444 223 R N -0.227 120.436 120.500 0.271 0.000 2.091 223 R HA -0.237 4.099 4.340 -0.008 0.000 0.238 223 R C 1.856 178.128 176.300 -0.046 0.000 1.136 223 R CA 2.198 58.283 56.100 -0.026 0.000 0.959 223 R CB -0.465 29.761 30.300 -0.123 0.000 0.856 223 R HN 0.523 nan 8.270 nan 0.000 0.437 224 D N -0.936 119.481 120.400 0.029 0.000 2.097 224 D HA -0.108 4.527 4.640 -0.008 0.000 0.195 224 D C 1.497 177.788 176.300 -0.015 0.000 0.989 224 D CA 1.907 55.916 54.000 0.015 0.000 0.827 224 D CB -0.014 40.823 40.800 0.062 0.000 0.966 224 D HN 0.218 nan 8.370 nan 0.000 0.456 225 T N 0.118 114.696 114.554 0.040 0.000 2.708 225 T HA -0.121 4.224 4.350 -0.008 0.000 0.266 225 T C 2.049 176.776 174.700 0.045 0.000 1.037 225 T CA 1.073 63.200 62.100 0.044 0.000 1.146 225 T CB -0.344 68.583 68.868 0.098 0.000 0.865 225 T HN 0.139 nan 8.240 nan 0.000 0.435 226 L N 1.139 122.400 121.223 0.063 0.000 2.046 226 L HA -0.135 4.201 4.340 -0.008 0.000 0.208 226 L C 2.723 179.510 176.870 -0.138 0.000 1.077 226 L CA 1.516 56.345 54.840 -0.019 0.000 0.747 226 L CB -0.577 41.450 42.059 -0.054 0.000 0.896 226 L HN 0.277 nan 8.230 nan 0.000 0.432 227 R N 0.117 120.438 120.500 -0.299 0.000 2.115 227 R HA -0.132 4.203 4.340 -0.008 0.000 0.230 227 R C 2.006 178.159 176.300 -0.245 0.000 1.111 227 R CA 1.122 56.916 56.100 -0.509 0.000 0.976 227 R CB -1.031 28.482 30.300 -1.311 0.000 0.870 227 R HN 0.191 nan 8.270 nan 0.000 0.445 228 L N 1.386 122.522 121.223 -0.144 0.000 2.044 228 L HA 0.017 4.353 4.340 -0.008 0.000 0.205 228 L C 1.744 178.629 176.870 0.025 0.000 1.075 228 L CA 1.737 56.547 54.840 -0.050 0.000 0.747 228 L CB -0.807 41.205 42.059 -0.078 0.000 0.903 228 L HN 0.303 nan 8.230 nan 0.000 0.435 229 E N 0.043 120.223 120.200 -0.033 0.000 2.086 229 E HA -0.263 4.082 4.350 -0.008 0.000 0.200 229 E C 1.947 178.666 176.600 0.198 0.000 1.012 229 E CA 1.460 57.905 56.400 0.076 0.000 0.812 229 E CB -0.378 29.344 29.700 0.037 0.000 0.743 229 E HN 0.636 nan 8.360 nan 0.000 0.453 230 A N 0.202 123.056 122.820 0.056 0.000 2.239 230 A HA 0.153 4.468 4.320 -0.008 0.000 0.209 230 A C 1.699 179.297 177.584 0.024 0.000 1.171 230 A CA 0.922 52.969 52.037 0.017 0.000 0.768 230 A CB -0.472 18.497 19.000 -0.051 0.000 0.790 230 A HN 0.375 nan 8.150 nan 0.000 0.478 231 G N -1.508 107.355 108.800 0.105 0.000 2.160 231 G HA2 -0.253 3.703 3.960 -0.008 0.000 0.244 231 G HA3 -0.253 3.703 3.960 -0.008 0.000 0.244 231 G C 0.038 174.966 174.900 0.047 0.000 1.022 231 G CA 0.455 45.606 45.100 0.087 0.000 0.741 231 G HN 0.435 nan 8.290 nan 0.000 0.508 232 M N 0.452 120.060 119.600 0.012 0.000 2.233 232 M HA 0.339 4.814 4.480 -0.008 0.000 0.355 232 M C 0.286 176.658 176.300 0.120 0.000 1.191 232 M CA -0.851 54.474 55.300 0.043 0.000 1.101 232 M CB 0.769 33.347 32.600 -0.036 0.000 1.592 232 M HN 0.070 nan 8.290 nan 0.000 0.461 233 N N 2.167 120.998 118.700 0.218 0.000 2.508 233 N HA 0.341 5.076 4.740 -0.008 0.000 0.264 233 N C -1.176 174.531 175.510 0.327 0.000 1.216 233 N CA -0.326 52.868 53.050 0.240 0.000 0.943 233 N CB 0.746 39.384 38.487 0.252 0.000 1.113 233 N HN 0.422 nan 8.380 nan 0.000 0.447 234 L N 2.700 124.080 121.223 0.263 0.000 2.325 234 L HA 0.352 4.688 4.340 -0.008 0.000 0.281 234 L C -0.934 176.062 176.870 0.209 0.000 1.004 234 L CA -0.868 54.154 54.840 0.304 0.000 0.823 234 L CB 0.558 42.787 42.059 0.283 0.000 1.236 234 L HN 0.435 nan 8.230 nan 0.000 0.415 235 Y N 5.632 126.005 120.300 0.122 0.000 2.712 235 Y HA 0.365 4.911 4.550 -0.007 0.000 0.333 235 Y C 1.419 177.351 175.900 0.052 0.000 1.225 235 Y CA 1.747 59.881 58.100 0.058 0.000 1.499 235 Y CB 0.798 39.260 38.460 0.002 0.000 1.288 235 Y HN 0.955 nan 8.280 nan 0.000 0.575 236 G N 3.402 111.810 108.800 -0.654 0.000 2.308 236 G HA2 -0.272 3.683 3.960 -0.008 0.000 0.221 236 G HA3 -0.272 3.683 3.960 -0.008 0.000 0.221 236 G C 0.886 175.701 174.900 -0.141 0.000 1.032 236 G CA 0.567 45.494 45.100 -0.289 0.000 0.623 236 G HN 0.589 nan 8.290 nan 0.000 0.506 237 Q N -0.611 119.146 119.800 -0.072 0.000 2.525 237 Q HA 0.219 4.555 4.340 -0.008 0.000 0.203 237 Q C 2.123 178.109 176.000 -0.022 0.000 0.947 237 Q CA 0.888 56.686 55.803 -0.008 0.000 0.881 237 Q CB 0.054 28.827 28.738 0.058 0.000 1.049 237 Q HN 0.357 nan 8.270 nan 0.000 0.600 238 E N 0.287 120.485 120.200 -0.004 0.000 2.274 238 E HA -0.025 4.321 4.350 -0.008 0.000 0.194 238 E C 0.623 177.200 176.600 -0.039 0.000 0.996 238 E CA 0.777 57.184 56.400 0.012 0.000 0.840 238 E CB 0.348 30.089 29.700 0.068 0.000 0.772 238 E HN 0.244 nan 8.360 nan 0.000 0.491 239 M N -0.692 118.823 119.600 -0.142 0.000 2.732 239 M HA 0.501 4.976 4.480 -0.008 0.000 0.272 239 M C -1.829 174.180 176.300 -0.485 0.000 1.203 239 M CA -0.829 54.351 55.300 -0.199 0.000 0.841 239 M CB 1.925 34.465 32.600 -0.100 0.000 1.685 239 M HN -0.078 nan 8.290 nan 0.000 0.492 240 D N 0.516 120.701 120.400 -0.359 0.000 3.182 240 D HA 0.285 4.920 4.640 -0.008 0.000 0.352 240 D C -0.218 176.037 176.300 -0.075 0.000 1.421 240 D CA -0.267 53.495 54.000 -0.396 0.000 0.912 240 D CB 0.246 40.835 40.800 -0.352 0.000 1.461 240 D HN 0.578 nan 8.370 nan 0.000 0.548 241 E N -0.777 119.424 120.200 0.001 0.000 2.409 241 E HA 0.025 4.370 4.350 -0.008 0.000 0.198 241 E C 1.465 178.051 176.600 -0.022 0.000 1.024 241 E CA 1.661 58.053 56.400 -0.012 0.000 0.861 241 E CB -0.342 29.350 29.700 -0.013 0.000 0.788 241 E HN 0.595 nan 8.360 nan 0.000 0.521 242 T N -1.975 112.562 114.554 -0.028 0.000 3.081 242 T HA 0.147 4.492 4.350 -0.008 0.000 0.250 242 T C 0.617 175.307 174.700 -0.017 0.000 1.100 242 T CA -0.106 61.984 62.100 -0.017 0.000 1.038 242 T CB 0.213 69.074 68.868 -0.013 0.000 0.962 242 T HN -0.121 nan 8.240 nan 0.000 0.516 243 I N 2.106 122.658 120.570 -0.031 0.000 2.406 243 I HA 0.409 4.574 4.170 -0.008 0.000 0.290 243 I C 0.370 176.479 176.117 -0.014 0.000 0.999 243 I CA -1.053 60.233 61.300 -0.022 0.000 1.124 243 I CB 1.361 39.337 38.000 -0.040 0.000 1.289 243 I HN 0.132 nan 8.210 nan 0.000 0.441 244 S N 8.287 123.990 115.700 0.006 0.000 2.558 244 S HA 0.146 4.612 4.470 -0.008 0.000 0.288 244 S C -1.020 173.585 174.600 0.008 0.000 1.318 244 S CA -0.711 57.497 58.200 0.014 0.000 1.056 244 S CB 0.666 63.892 63.200 0.042 0.000 0.853 244 S HN 0.479 nan 8.310 nan 0.000 0.505 245 P HA -0.115 nan 4.420 nan 0.000 0.219 245 P C 1.424 178.736 177.300 0.019 0.000 1.146 245 P CA 1.140 64.226 63.100 -0.024 0.000 0.808 245 P CB -0.048 31.594 31.700 -0.096 0.000 0.779 246 L N -0.735 120.519 121.223 0.052 0.000 2.191 246 L HA -0.077 4.258 4.340 -0.008 0.000 0.212 246 L C 2.324 179.240 176.870 0.078 0.000 1.103 246 L CA 1.353 56.249 54.840 0.093 0.000 0.769 246 L CB -0.897 41.242 42.059 0.133 0.000 0.908 246 L HN -0.043 nan 8.230 nan 0.000 0.438 247 A N -0.657 122.199 122.820 0.059 0.000 2.337 247 A HA 0.483 4.799 4.320 -0.008 0.000 0.227 247 A C 1.384 178.998 177.584 0.050 0.000 1.259 247 A CA 0.691 52.759 52.037 0.052 0.000 0.870 247 A CB -0.182 18.844 19.000 0.043 0.000 0.927 247 A HN 0.283 nan 8.150 nan 0.000 0.497 248 A N -0.346 122.509 122.820 0.059 0.000 2.568 248 A HA 0.464 4.779 4.320 -0.008 0.000 0.287 248 A C 0.467 178.118 177.584 0.112 0.000 0.967 248 A CA 0.180 52.259 52.037 0.069 0.000 1.004 248 A CB -0.485 18.543 19.000 0.047 0.000 1.233 248 A HN 0.614 nan 8.150 nan 0.000 0.513 249 N N -0.630 118.143 118.700 0.121 0.000 2.735 249 N HA -0.187 4.549 4.740 -0.008 0.000 0.248 249 N C 0.215 175.900 175.510 0.293 0.000 1.083 249 N CA 1.679 54.840 53.050 0.185 0.000 0.703 249 N CB -1.670 36.911 38.487 0.157 0.000 1.005 249 N HN 0.606 nan 8.380 nan 0.000 0.550 250 M N -1.807 117.887 119.600 0.158 0.000 2.412 250 M HA 0.299 4.775 4.480 -0.008 0.000 0.315 250 M C 1.861 178.086 176.300 -0.124 0.000 1.092 250 M CA 0.319 55.603 55.300 -0.027 0.000 0.974 250 M CB 0.538 33.082 32.600 -0.094 0.000 1.437 250 M HN 0.270 nan 8.290 nan 0.000 0.524 251 G N 1.466 110.315 108.800 0.081 0.000 2.442 251 G HA2 -0.211 3.745 3.960 -0.008 0.000 0.219 251 G HA3 -0.211 3.745 3.960 -0.008 0.000 0.219 251 G C 1.194 176.156 174.900 0.102 0.000 1.141 251 G CA 0.665 45.834 45.100 0.116 0.000 0.763 251 G HN 0.788 nan 8.290 nan 0.000 0.554 252 W N 1.987 123.305 121.300 0.029 0.000 2.525 252 W HA -0.019 4.637 4.660 -0.007 0.000 0.259 252 W C 1.439 177.930 176.519 -0.048 0.000 1.253 252 W CA 1.539 58.887 57.345 0.005 0.000 1.262 252 W CB -1.318 28.140 29.460 -0.003 0.000 1.122 252 W HN 0.302 nan 8.180 nan 0.000 0.607 253 T N -1.560 112.555 114.554 -0.732 0.000 3.086 253 T HA 0.181 4.526 4.350 -0.008 0.000 0.250 253 T C 0.760 175.102 174.700 -0.597 0.000 1.074 253 T CA -0.148 61.456 62.100 -0.826 0.000 0.988 253 T CB -0.355 67.876 68.868 -1.063 0.000 0.988 253 T HN -0.131 nan 8.240 nan 0.000 0.530 254 I N 2.729 122.982 120.570 -0.529 0.000 2.352 254 I HA 0.446 4.611 4.170 -0.008 0.000 0.290 254 I C 0.567 176.238 176.117 -0.742 0.000 1.036 254 I CA -1.102 59.745 61.300 -0.756 0.000 1.336 254 I CB 0.053 37.478 38.000 -0.959 0.000 1.407 254 I HN 0.258 nan 8.210 nan 0.000 0.497 255 A N 6.915 129.337 122.820 -0.665 0.000 2.774 255 A HA 0.263 4.579 4.320 -0.008 0.000 0.326 255 A C 0.618 178.057 177.584 -0.241 0.000 1.478 255 A CA -0.625 51.191 52.037 -0.368 0.000 1.099 255 A CB -0.353 18.473 19.000 -0.290 0.000 1.148 255 A HN 0.820 nan 8.150 nan 0.000 0.519 256 W N 0.920 122.237 121.300 0.028 0.000 2.363 256 W HA -0.044 4.612 4.660 -0.007 0.000 0.296 256 W C 0.878 177.441 176.519 0.073 0.000 1.212 256 W CA 0.586 57.985 57.345 0.090 0.000 1.260 256 W CB 0.255 29.750 29.460 0.057 0.000 1.131 256 W HN 0.434 nan 8.180 nan 0.000 0.530 257 E N 1.181 121.535 120.200 0.258 0.000 2.191 257 E HA 0.193 4.538 4.350 -0.008 0.000 0.278 257 E C -2.025 174.626 176.600 0.084 0.000 0.972 257 E CA -1.945 54.548 56.400 0.154 0.000 0.804 257 E CB 0.851 30.625 29.700 0.124 0.000 1.110 257 E HN -0.153 nan 8.360 nan 0.000 0.394 258 P HA 0.151 nan 4.420 nan 0.000 0.278 258 P C 0.130 177.499 177.300 0.115 0.000 1.238 258 P CA -0.172 62.978 63.100 0.083 0.000 0.794 258 P CB 1.176 32.911 31.700 0.058 0.000 0.955 259 A N 2.858 125.744 122.820 0.110 0.000 1.972 259 A HA -0.182 4.134 4.320 -0.008 0.000 0.219 259 A C 1.468 179.112 177.584 0.099 0.000 1.169 259 A CA 1.862 53.970 52.037 0.119 0.000 0.635 259 A CB -1.050 18.001 19.000 0.084 0.000 0.810 259 A HN 0.663 nan 8.150 nan 0.000 0.446 260 D N -0.902 119.546 120.400 0.080 0.000 2.336 260 D HA -0.054 4.581 4.640 -0.008 0.000 0.229 260 D C 0.809 177.158 176.300 0.083 0.000 1.061 260 D CA -0.108 53.933 54.000 0.068 0.000 0.875 260 D CB -0.469 40.363 40.800 0.052 0.000 0.904 260 D HN 0.418 nan 8.370 nan 0.000 0.525 261 R N 1.139 121.705 120.500 0.111 0.000 2.220 261 R HA 0.143 4.478 4.340 -0.008 0.000 0.340 261 R C -0.885 175.525 176.300 0.183 0.000 1.076 261 R CA -0.569 55.615 56.100 0.139 0.000 0.920 261 R CB 0.244 30.625 30.300 0.135 0.000 1.062 261 R HN -0.155 nan 8.270 nan 0.000 0.469 262 D N 4.151 124.650 120.400 0.164 0.000 2.341 262 D HA 0.214 4.850 4.640 -0.008 0.000 0.245 262 D C -0.873 175.611 176.300 0.307 0.000 1.106 262 D CA 0.165 54.255 54.000 0.151 0.000 0.905 262 D CB 0.499 41.395 40.800 0.160 0.000 1.202 262 D HN 0.372 nan 8.370 nan 0.000 0.426 263 F N 0.341 120.335 119.950 0.074 0.000 2.668 263 F HA 0.484 5.006 4.527 -0.008 0.000 0.309 263 F C -0.941 174.718 175.800 -0.234 0.000 1.117 263 F CA -1.334 56.583 58.000 -0.139 0.000 0.951 263 F CB 0.444 39.326 39.000 -0.196 0.000 1.323 263 F HN 0.120 nan 8.300 nan 0.000 0.451 264 I N 2.567 122.993 120.570 -0.240 0.000 2.587 264 I HA 0.367 4.532 4.170 -0.008 0.000 0.284 264 I C 1.148 177.242 176.117 -0.039 0.000 1.134 264 I CA 1.265 62.443 61.300 -0.205 0.000 1.410 264 I CB 0.302 38.168 38.000 -0.223 0.000 1.392 264 I HN 1.138 nan 8.210 nan 0.000 0.545 265 G N 5.144 113.880 108.800 -0.107 0.000 2.232 265 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.226 265 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.226 265 G C 1.251 176.026 174.900 -0.207 0.000 0.996 265 G CA 0.364 45.423 45.100 -0.069 0.000 0.626 265 G HN 0.656 nan 8.290 nan 0.000 0.509 266 R N 0.937 121.031 120.500 -0.676 0.000 2.115 266 R HA -0.133 4.202 4.340 -0.008 0.000 0.239 266 R C 2.276 178.431 176.300 -0.242 0.000 1.133 266 R CA 2.513 58.091 56.100 -0.869 0.000 0.935 266 R CB -0.434 29.048 30.300 -1.363 0.000 0.853 266 R HN 0.618 nan 8.270 nan 0.000 0.433 267 E N -0.191 119.909 120.200 -0.168 0.000 2.058 267 E HA -0.219 4.126 4.350 -0.008 0.000 0.194 267 E C 2.041 178.647 176.600 0.009 0.000 0.997 267 E CA 1.371 57.744 56.400 -0.045 0.000 0.801 267 E CB -0.230 29.453 29.700 -0.027 0.000 0.746 267 E HN 0.530 nan 8.360 nan 0.000 0.450 268 A N 1.312 124.135 122.820 0.006 0.000 1.892 268 A HA -0.211 4.105 4.320 -0.008 0.000 0.218 268 A C 2.232 179.868 177.584 0.087 0.000 1.188 268 A CA 1.334 53.397 52.037 0.043 0.000 0.631 268 A CB -0.789 18.230 19.000 0.032 0.000 0.822 268 A HN 0.155 nan 8.150 nan 0.000 0.447 269 L N -1.199 120.092 121.223 0.113 0.000 2.046 269 L HA -0.215 4.121 4.340 -0.008 0.000 0.208 269 L C 2.641 179.704 176.870 0.321 0.000 1.077 269 L CA 1.785 56.772 54.840 0.244 0.000 0.747 269 L CB -0.658 41.573 42.059 0.286 0.000 0.896 269 L HN 0.498 nan 8.230 nan 0.000 0.432 270 E N -0.303 120.057 120.200 0.266 0.000 2.058 270 E HA -0.206 4.139 4.350 -0.008 0.000 0.194 270 E C 2.256 178.863 176.600 0.013 0.000 0.997 270 E CA 1.444 57.916 56.400 0.120 0.000 0.801 270 E CB -0.017 29.734 29.700 0.084 0.000 0.746 270 E HN 0.210 nan 8.360 nan 0.000 0.450 271 V N 1.102 121.052 119.914 0.060 0.000 2.287 271 V HA -0.337 3.778 4.120 -0.008 0.000 0.248 271 V C 2.233 178.402 176.094 0.126 0.000 1.053 271 V CA 2.093 64.451 62.300 0.096 0.000 1.027 271 V CB -0.553 31.356 31.823 0.144 0.000 0.646 271 V HN 0.314 nan 8.190 nan 0.000 0.447 272 Q N -0.418 119.459 119.800 0.127 0.000 2.181 272 Q HA -0.267 4.068 4.340 -0.008 0.000 0.205 272 Q C 2.364 178.407 176.000 0.071 0.000 0.980 272 Q CA 1.963 57.840 55.803 0.124 0.000 0.862 272 Q CB -0.305 28.509 28.738 0.127 0.000 0.905 272 Q HN 0.678 nan 8.270 nan 0.000 0.429 273 R N 1.195 121.709 120.500 0.023 0.000 2.075 273 R HA -0.143 4.192 4.340 -0.008 0.000 0.232 273 R C 1.667 177.869 176.300 -0.163 0.000 1.126 273 R CA 1.707 57.751 56.100 -0.092 0.000 0.963 273 R CB -0.071 30.029 30.300 -0.334 0.000 0.858 273 R HN 0.186 nan 8.270 nan 0.000 0.435 274 E N -0.847 119.216 120.200 -0.229 0.000 2.106 274 E HA -0.170 4.175 4.350 -0.008 0.000 0.192 274 E C 1.527 177.909 176.600 -0.364 0.000 0.984 274 E CA 1.528 57.716 56.400 -0.354 0.000 0.806 274 E CB 0.032 29.436 29.700 -0.492 0.000 0.750 274 E HN 0.641 nan 8.360 nan 0.000 0.458 275 H N -1.164 117.893 119.070 -0.022 0.000 2.563 275 H HA 0.246 4.798 4.556 -0.008 0.000 0.264 275 H C 0.459 175.787 175.328 0.001 0.000 0.957 275 H CA 0.043 56.086 56.048 -0.007 0.000 1.173 275 H CB 0.995 30.758 29.762 0.002 0.000 1.420 275 H HN 0.191 nan 8.280 nan 0.000 0.551 276 G N 0.919 109.767 108.800 0.080 0.000 2.705 276 G HA2 -0.112 3.843 3.960 -0.008 0.000 0.686 276 G HA3 -0.112 3.843 3.960 -0.008 0.000 0.686 276 G C -0.074 174.870 174.900 0.074 0.000 1.285 276 G CA -0.301 44.836 45.100 0.060 0.000 0.800 276 G HN 0.525 nan 8.290 nan 0.000 0.611 277 T N -1.503 113.088 114.554 0.061 0.000 2.838 277 T HA 0.762 5.108 4.350 -0.008 0.000 0.292 277 T C 0.156 174.886 174.700 0.050 0.000 1.113 277 T CA -0.180 61.957 62.100 0.061 0.000 1.008 277 T CB 2.034 70.943 68.868 0.069 0.000 1.259 277 T HN 0.845 nan 8.240 nan 0.000 0.520 278 E N 0.791 121.020 120.200 0.049 0.000 2.442 278 E HA 0.252 4.597 4.350 -0.008 0.000 0.260 278 E C -0.090 176.534 176.600 0.041 0.000 1.148 278 E CA -0.154 56.274 56.400 0.046 0.000 0.976 278 E CB 0.393 30.125 29.700 0.053 0.000 0.967 278 E HN 0.677 nan 8.360 nan 0.000 0.454 279 K N 0.544 120.963 120.400 0.031 0.000 2.469 279 K HA 0.446 4.762 4.320 -0.008 0.000 0.254 279 K C -1.456 175.156 176.600 0.022 0.000 0.939 279 K CA -0.896 55.406 56.287 0.025 0.000 0.812 279 K CB 1.143 33.646 32.500 0.006 0.000 1.301 279 K HN 0.252 nan 8.250 nan 0.000 0.433 280 L N 3.615 124.856 121.223 0.030 0.000 2.281 280 L HA 0.377 4.712 4.340 -0.008 0.000 0.285 280 L C -0.646 176.229 176.870 0.008 0.000 1.074 280 L CA -0.101 54.759 54.840 0.033 0.000 0.817 280 L CB 1.328 43.421 42.059 0.056 0.000 1.168 280 L HN 0.628 nan 8.230 nan 0.000 0.434 281 V N 2.014 121.929 119.914 0.002 0.000 3.155 281 V HA 0.989 5.104 4.120 -0.008 0.000 0.313 281 V C 0.207 176.303 176.094 0.003 0.000 1.162 281 V CA -0.360 61.922 62.300 -0.032 0.000 1.048 281 V CB 1.219 33.002 31.823 -0.067 0.000 1.092 281 V HN 0.797 nan 8.190 nan 0.000 0.447 282 G N 0.339 109.109 108.800 -0.049 0.000 2.412 282 G HA2 0.686 4.641 3.960 -0.008 0.000 0.318 282 G HA3 0.686 4.641 3.960 -0.008 0.000 0.318 282 G C -1.107 173.868 174.900 0.126 0.000 1.146 282 G CA -0.826 44.312 45.100 0.063 0.000 0.882 282 G HN 0.818 nan 8.290 nan 0.000 0.501 283 L N 0.717 122.105 121.223 0.274 0.000 2.408 283 L HA 0.537 4.873 4.340 -0.008 0.000 0.268 283 L C -0.767 176.229 176.870 0.210 0.000 0.986 283 L CA -1.097 53.841 54.840 0.163 0.000 0.820 283 L CB 2.512 44.630 42.059 0.099 0.000 1.303 283 L HN 0.188 nan 8.230 nan 0.000 0.411 284 V N 3.448 123.436 119.914 0.124 0.000 2.487 284 V HA 0.443 4.559 4.120 -0.008 0.000 0.298 284 V C -0.288 175.798 176.094 -0.014 0.000 1.028 284 V CA -0.336 62.009 62.300 0.075 0.000 0.860 284 V CB 1.956 33.834 31.823 0.091 0.000 0.991 284 V HN 0.770 nan 8.190 nan 0.000 0.427 285 M N 4.439 124.027 119.600 -0.019 0.000 2.078 285 M HA 0.276 4.752 4.480 -0.008 0.000 0.320 285 M C 1.107 177.360 176.300 -0.079 0.000 0.969 285 M CA -0.398 54.879 55.300 -0.038 0.000 0.929 285 M CB 1.642 34.250 32.600 0.013 0.000 1.504 285 M HN 0.873 nan 8.290 nan 0.000 0.419 286 T N 0.088 114.504 114.554 -0.230 0.000 2.985 286 T HA 0.040 4.385 4.350 -0.008 0.000 0.266 286 T C 0.690 175.377 174.700 -0.022 0.000 1.076 286 T CA 0.348 62.248 62.100 -0.333 0.000 1.135 286 T CB -0.180 68.359 68.868 -0.548 0.000 0.890 286 T HN 0.712 nan 8.240 nan 0.000 0.480 287 E N 2.005 122.199 120.200 -0.011 0.000 2.374 287 E HA 0.181 4.527 4.350 -0.008 0.000 0.260 287 E C -0.418 176.221 176.600 0.064 0.000 1.101 287 E CA -0.697 55.721 56.400 0.030 0.000 0.907 287 E CB 0.735 30.442 29.700 0.011 0.000 1.014 287 E HN 0.016 nan 8.360 nan 0.000 0.427 288 K N 0.452 120.888 120.400 0.060 0.000 2.440 288 K HA 0.367 4.682 4.320 -0.008 0.000 0.270 288 K C 0.565 177.191 176.600 0.043 0.000 0.980 288 K CA 0.811 57.130 56.287 0.053 0.000 0.953 288 K CB 0.011 32.525 32.500 0.023 0.000 0.925 288 K HN 0.884 nan 8.250 nan 0.000 0.497 289 G N -0.829 107.995 108.800 0.040 0.000 2.316 289 G HA2 0.004 3.960 3.960 -0.008 0.000 0.468 289 G HA3 0.004 3.960 3.960 -0.008 0.000 0.468 289 G C -1.487 173.443 174.900 0.050 0.000 1.523 289 G CA -1.012 44.109 45.100 0.035 0.000 0.972 289 G HN 0.270 nan 8.290 nan 0.000 0.667 290 V N 2.259 122.196 119.914 0.038 0.000 2.364 290 V HA 0.425 4.540 4.120 -0.008 0.000 0.272 290 V C 0.956 177.077 176.094 0.044 0.000 1.036 290 V CA -0.601 61.726 62.300 0.044 0.000 0.880 290 V CB 1.178 33.018 31.823 0.028 0.000 0.991 290 V HN 0.628 nan 8.190 nan 0.000 0.460 291 L N 6.377 127.630 121.223 0.051 0.000 2.369 291 L HA 0.474 4.809 4.340 -0.008 0.000 0.279 291 L C 0.438 177.329 176.870 0.035 0.000 1.108 291 L CA 0.264 55.127 54.840 0.038 0.000 0.852 291 L CB 0.367 42.443 42.059 0.028 0.000 1.169 291 L HN 0.623 nan 8.230 nan 0.000 0.452 292 R N 2.836 123.358 120.500 0.035 0.000 2.686 292 R HA 0.296 4.631 4.340 -0.008 0.000 0.283 292 R C -0.717 175.606 176.300 0.038 0.000 0.978 292 R CA -0.907 55.215 56.100 0.037 0.000 0.897 292 R CB 1.632 31.952 30.300 0.035 0.000 1.192 292 R HN 0.709 nan 8.270 nan 0.000 0.457 293 N N 2.441 121.166 118.700 0.042 0.000 2.395 293 N HA -0.046 4.690 4.740 -0.008 0.000 0.246 293 N C -0.539 174.995 175.510 0.039 0.000 1.246 293 N CA 0.180 53.256 53.050 0.043 0.000 0.879 293 N CB 0.320 38.835 38.487 0.047 0.000 1.098 293 N HN 0.858 nan 8.380 nan 0.000 0.444 294 E N -3.162 117.061 120.200 0.039 0.000 4.223 294 E HA -0.189 4.157 4.350 -0.008 0.000 0.379 294 E C -0.761 175.860 176.600 0.036 0.000 0.610 294 E CA 0.286 56.707 56.400 0.035 0.000 1.397 294 E CB -1.049 28.670 29.700 0.032 0.000 1.803 294 E HN 0.332 nan 8.360 nan 0.000 0.385 295 L N 2.108 123.354 121.223 0.038 0.000 2.453 295 L HA 0.182 4.518 4.340 -0.008 0.000 0.272 295 L C -1.912 174.985 176.870 0.044 0.000 1.182 295 L CA -0.942 53.921 54.840 0.039 0.000 0.858 295 L CB -0.412 41.670 42.059 0.039 0.000 1.120 295 L HN -0.160 nan 8.230 nan 0.000 0.474 296 P HA 0.215 nan 4.420 nan 0.000 0.275 296 P C -1.092 176.245 177.300 0.062 0.000 1.228 296 P CA -0.240 62.890 63.100 0.049 0.000 0.786 296 P CB 0.867 32.590 31.700 0.039 0.000 0.927 297 V N 4.196 124.160 119.914 0.083 0.000 2.531 297 V HA 0.484 4.599 4.120 -0.008 0.000 0.301 297 V C 0.145 176.331 176.094 0.153 0.000 1.034 297 V CA -0.549 61.818 62.300 0.113 0.000 0.865 297 V CB 1.679 33.577 31.823 0.124 0.000 0.995 297 V HN 0.481 nan 8.190 nan 0.000 0.424 298 R N 4.182 124.777 120.500 0.159 0.000 2.807 298 R HA 0.881 5.216 4.340 -0.008 0.000 0.276 298 R C -1.360 175.099 176.300 0.266 0.000 0.979 298 R CA -0.622 55.567 56.100 0.150 0.000 0.928 298 R CB 2.700 33.033 30.300 0.055 0.000 1.191 298 R HN 0.720 nan 8.270 nan 0.000 0.471 299 F N -2.397 117.593 119.950 0.067 0.000 2.719 299 F HA 0.477 4.999 4.527 -0.008 0.000 0.309 299 F C -1.530 174.328 175.800 0.096 0.000 1.138 299 F CA -0.861 57.180 58.000 0.067 0.000 0.943 299 F CB 1.748 40.784 39.000 0.060 0.000 1.304 299 F HN 0.230 nan 8.300 nan 0.000 0.445 300 T N 2.115 116.793 114.554 0.206 0.000 2.779 300 T HA 0.429 4.775 4.350 -0.008 0.000 0.280 300 T C -0.775 174.092 174.700 0.279 0.000 0.987 300 T CA -0.492 61.663 62.100 0.091 0.000 0.966 300 T CB 1.157 70.061 68.868 0.059 0.000 0.933 300 T HN 0.772 nan 8.240 nan 0.000 0.442 301 D N 2.036 122.587 120.400 0.251 0.000 2.414 301 D HA 0.400 5.036 4.640 -0.008 0.000 0.251 301 D C 1.494 177.896 176.300 0.170 0.000 1.252 301 D CA -0.623 53.564 54.000 0.312 0.000 0.999 301 D CB 0.285 41.301 40.800 0.361 0.000 1.093 301 D HN 0.405 nan 8.370 nan 0.000 0.515 302 A N -0.680 122.223 122.820 0.139 0.000 2.019 302 A HA -0.208 4.108 4.320 -0.008 0.000 0.219 302 A C 1.978 179.602 177.584 0.067 0.000 1.164 302 A CA 1.493 53.581 52.037 0.085 0.000 0.644 302 A CB -0.729 18.311 19.000 0.066 0.000 0.805 302 A HN 0.491 nan 8.150 nan 0.000 0.449 303 Q N -2.111 117.734 119.800 0.075 0.000 2.425 303 Q HA 0.311 4.647 4.340 -0.008 0.000 0.204 303 Q C 1.302 177.320 176.000 0.030 0.000 0.933 303 Q CA 0.972 56.804 55.803 0.049 0.000 0.939 303 Q CB 0.376 29.145 28.738 0.052 0.000 1.044 303 Q HN 0.890 nan 8.270 nan 0.000 0.513 304 G N -0.340 108.479 108.800 0.032 0.000 2.213 304 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.226 304 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.226 304 G C -0.111 174.765 174.900 -0.039 0.000 0.992 304 G CA -0.278 44.824 45.100 0.003 0.000 0.632 304 G HN 0.269 nan 8.290 nan 0.000 0.511 305 N N 2.454 121.119 118.700 -0.058 0.000 2.452 305 N HA 0.272 5.008 4.740 -0.008 0.000 0.266 305 N C 0.807 176.133 175.510 -0.305 0.000 1.175 305 N CA 0.425 53.362 53.050 -0.190 0.000 0.945 305 N CB 0.793 39.155 38.487 -0.208 0.000 1.063 305 N HN 0.849 nan 8.380 nan 0.000 0.472 306 Q N 2.632 122.223 119.800 -0.347 0.000 2.317 306 Q HA 0.292 4.628 4.340 -0.008 0.000 0.229 306 Q C -0.821 174.753 176.000 -0.711 0.000 0.984 306 Q CA 0.070 55.630 55.803 -0.405 0.000 0.911 306 Q CB 1.368 29.969 28.738 -0.229 0.000 1.217 306 Q HN 0.532 nan 8.270 nan 0.000 0.501 307 H N -0.371 118.335 119.070 -0.606 0.000 2.980 307 H HA 0.393 4.944 4.556 -0.008 0.000 0.367 307 H C -1.338 173.765 175.328 -0.375 0.000 1.206 307 H CA -0.620 55.088 56.048 -0.567 0.000 1.126 307 H CB 2.427 31.606 29.762 -0.971 0.000 1.838 307 H HN 0.807 nan 8.280 nan 0.000 0.552 308 E N 0.685 120.878 120.200 -0.011 0.000 2.248 308 E HA 0.550 4.896 4.350 -0.008 0.000 0.267 308 E C -0.867 175.801 176.600 0.113 0.000 0.877 308 E CA -0.778 55.651 56.400 0.049 0.000 0.759 308 E CB 2.194 31.906 29.700 0.019 0.000 1.182 308 E HN 0.808 nan 8.360 nan 0.000 0.418 309 G N 2.967 111.852 108.800 0.142 0.000 3.222 309 G HA2 0.722 4.677 3.960 -0.008 0.000 0.263 309 G HA3 0.722 4.677 3.960 -0.008 0.000 0.263 309 G C -1.362 173.596 174.900 0.096 0.000 1.312 309 G CA -0.632 44.547 45.100 0.132 0.000 0.934 309 G HN 0.555 nan 8.290 nan 0.000 0.577 310 I N -0.697 119.922 120.570 0.082 0.000 2.775 310 I HA 0.445 4.610 4.170 -0.008 0.000 0.295 310 I C -1.017 175.137 176.117 0.062 0.000 1.287 310 I CA -1.060 60.278 61.300 0.064 0.000 1.029 310 I CB 2.194 40.224 38.000 0.051 0.000 1.282 310 I HN 0.386 nan 8.210 nan 0.000 0.426 311 I N 5.784 126.388 120.570 0.057 0.000 2.471 311 I HA 0.084 4.249 4.170 -0.008 0.000 0.286 311 I C 1.357 177.504 176.117 0.050 0.000 1.079 311 I CA 0.275 61.608 61.300 0.055 0.000 1.398 311 I CB 1.514 39.545 38.000 0.051 0.000 1.403 311 I HN 0.754 nan 8.210 nan 0.000 0.530 312 T N 0.741 115.327 114.554 0.053 0.000 2.983 312 T HA 0.122 4.468 4.350 -0.008 0.000 0.250 312 T C 0.695 175.427 174.700 0.052 0.000 1.037 312 T CA 0.098 62.227 62.100 0.047 0.000 1.142 312 T CB 0.258 69.154 68.868 0.046 0.000 0.876 312 T HN 0.472 nan 8.240 nan 0.000 0.455 313 S N -0.351 115.383 115.700 0.057 0.000 2.540 313 S HA 0.725 5.190 4.470 -0.008 0.000 0.275 313 S C -0.413 174.206 174.600 0.031 0.000 1.123 313 S CA -0.759 57.471 58.200 0.051 0.000 0.907 313 S CB 2.051 65.285 63.200 0.058 0.000 1.081 313 S HN 0.809 nan 8.310 nan 0.000 0.476 314 G N 0.238 109.050 108.800 0.020 0.000 2.563 314 G HA2 0.769 4.725 3.960 -0.008 0.000 0.302 314 G HA3 0.769 4.725 3.960 -0.008 0.000 0.302 314 G C -1.152 173.739 174.900 -0.016 0.000 1.301 314 G CA -0.555 44.540 45.100 -0.008 0.000 0.965 314 G HN 0.678 nan 8.290 nan 0.000 0.480 315 T N -0.675 113.849 114.554 -0.051 0.000 2.769 315 T HA 0.515 4.861 4.350 -0.008 0.000 0.306 315 T C -1.857 172.839 174.700 -0.007 0.000 1.400 315 T CA -0.513 61.572 62.100 -0.024 0.000 1.007 315 T CB 1.303 70.136 68.868 -0.058 0.000 1.392 315 T HN 0.514 nan 8.240 nan 0.000 0.500 316 F N 2.894 122.793 119.950 -0.085 0.000 2.445 316 F HA 0.576 5.098 4.527 -0.008 0.000 0.359 316 F C 0.566 176.278 175.800 -0.146 0.000 1.101 316 F CA -0.287 57.655 58.000 -0.097 0.000 1.177 316 F CB 0.898 39.849 39.000 -0.081 0.000 1.110 316 F HN 0.362 nan 8.300 nan 0.000 0.522 317 S N 8.248 123.417 115.700 -0.885 0.000 2.416 317 S HA 0.316 4.781 4.470 -0.008 0.000 0.287 317 S C -1.765 172.311 174.600 -0.874 0.000 1.139 317 S CA -1.389 56.398 58.200 -0.688 0.000 1.058 317 S CB 0.814 63.718 63.200 -0.493 0.000 0.967 317 S HN 0.520 nan 8.310 nan 0.000 0.495 318 P HA -0.005 nan 4.420 nan 0.000 0.219 318 P C 1.301 178.479 177.300 -0.203 0.000 1.150 318 P CA 0.859 63.757 63.100 -0.338 0.000 0.814 318 P CB 0.074 31.531 31.700 -0.405 0.000 0.787 319 T N -0.326 114.155 114.554 -0.121 0.000 2.777 319 T HA -0.039 4.306 4.350 -0.008 0.000 0.266 319 T C 1.633 176.268 174.700 -0.108 0.000 1.040 319 T CA 1.045 63.140 62.100 -0.008 0.000 1.141 319 T CB -0.681 68.237 68.868 0.083 0.000 0.868 319 T HN 0.067 nan 8.240 nan 0.000 0.444 320 L N 0.004 121.109 121.223 -0.197 0.000 2.270 320 L HA 0.215 4.550 4.340 -0.008 0.000 0.210 320 L C 2.197 178.782 176.870 -0.474 0.000 1.104 320 L CA 0.835 55.545 54.840 -0.216 0.000 0.804 320 L CB -0.703 41.289 42.059 -0.112 0.000 0.937 320 L HN 0.558 nan 8.230 nan 0.000 0.450 321 G N -0.849 107.615 108.800 -0.561 0.000 2.157 321 G HA2 -0.287 3.669 3.960 -0.008 0.000 0.248 321 G HA3 -0.287 3.669 3.960 -0.008 0.000 0.248 321 G C -0.196 174.217 174.900 -0.811 0.000 0.979 321 G CA 0.036 44.755 45.100 -0.635 0.000 0.650 321 G HN 0.277 nan 8.290 nan 0.000 0.529 322 Y N -0.044 120.002 120.300 -0.424 0.000 2.638 322 Y HA 0.744 5.289 4.550 -0.008 0.000 0.339 322 Y C 0.656 176.294 175.900 -0.438 0.000 1.084 322 Y CA -1.099 56.853 58.100 -0.246 0.000 1.068 322 Y CB 1.079 39.480 38.460 -0.100 0.000 1.294 322 Y HN 0.070 nan 8.280 nan 0.000 0.480 323 S N 2.422 118.184 115.700 0.104 0.000 2.549 323 S HA 0.606 5.071 4.470 -0.008 0.000 0.279 323 S C -0.349 174.202 174.600 -0.081 0.000 1.321 323 S CA -0.466 57.752 58.200 0.030 0.000 1.054 323 S CB -0.359 62.926 63.200 0.142 0.000 0.899 323 S HN 0.497 nan 8.310 nan 0.000 0.497 324 I N -0.678 119.766 120.570 -0.211 0.000 3.042 324 I HA 1.012 5.177 4.170 -0.008 0.000 0.310 324 I C -0.717 175.237 176.117 -0.272 0.000 1.117 324 I CA -1.334 59.750 61.300 -0.360 0.000 1.003 324 I CB 2.127 39.548 38.000 -0.965 0.000 1.228 324 I HN 0.616 nan 8.210 nan 0.000 0.443 325 A N 4.008 126.729 122.820 -0.165 0.000 2.604 325 A HA 0.765 5.080 4.320 -0.008 0.000 0.295 325 A C -1.528 176.166 177.584 0.184 0.000 1.067 325 A CA -0.650 51.387 52.037 -0.000 0.000 0.683 325 A CB 1.662 20.684 19.000 0.037 0.000 1.281 325 A HN 0.745 nan 8.150 nan 0.000 0.407 326 L N 1.017 122.331 121.223 0.152 0.000 2.322 326 L HA 0.777 5.112 4.340 -0.008 0.000 0.279 326 L C 0.386 177.320 176.870 0.107 0.000 1.036 326 L CA -0.397 54.547 54.840 0.173 0.000 0.807 326 L CB 1.792 43.944 42.059 0.155 0.000 1.226 326 L HN 0.944 nan 8.230 nan 0.000 0.433 327 A N 3.322 126.197 122.820 0.090 0.000 2.486 327 A HA 0.649 4.964 4.320 -0.008 0.000 0.300 327 A C -1.034 176.584 177.584 0.057 0.000 1.048 327 A CA -0.694 51.385 52.037 0.069 0.000 0.696 327 A CB 1.732 20.773 19.000 0.069 0.000 1.278 327 A HN 0.753 nan 8.150 nan 0.000 0.405 328 R N 1.202 121.736 120.500 0.057 0.000 2.265 328 R HA 0.639 4.974 4.340 -0.008 0.000 0.319 328 R C -0.849 175.494 176.300 0.071 0.000 1.006 328 R CA -0.207 55.925 56.100 0.054 0.000 0.880 328 R CB 0.911 31.240 30.300 0.048 0.000 1.077 328 R HN 1.046 nan 8.270 nan 0.000 0.454 329 V N 1.699 121.656 119.914 0.071 0.000 3.049 329 V HA 0.642 4.757 4.120 -0.008 0.000 0.309 329 V C -2.784 173.387 176.094 0.129 0.000 1.148 329 V CA -2.937 59.440 62.300 0.130 0.000 0.990 329 V CB 1.894 33.785 31.823 0.114 0.000 1.039 329 V HN 0.679 nan 8.190 nan 0.000 0.430 330 P HA 0.168 nan 4.420 nan 0.000 0.267 330 P C -0.179 177.163 177.300 0.069 0.000 1.201 330 P CA 0.230 63.398 63.100 0.113 0.000 0.775 330 P CB 0.323 32.061 31.700 0.062 0.000 0.854 331 E N 0.542 120.741 120.200 -0.002 0.000 2.442 331 E HA 0.256 4.601 4.350 -0.008 0.000 0.260 331 E C 1.294 177.875 176.600 -0.032 0.000 1.148 331 E CA 1.290 57.675 56.400 -0.025 0.000 0.976 331 E CB -0.295 29.397 29.700 -0.012 0.000 0.967 331 E HN 0.740 nan 8.360 nan 0.000 0.454 332 G N 1.184 109.961 108.800 -0.040 0.000 2.176 332 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.253 332 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.253 332 G C 0.261 175.140 174.900 -0.034 0.000 0.979 332 G CA 0.003 45.111 45.100 0.013 0.000 0.641 332 G HN 0.514 nan 8.290 nan 0.000 0.530 333 I N 1.515 121.793 120.570 -0.488 0.000 2.752 333 I HA 0.471 4.636 4.170 -0.008 0.000 0.287 333 I C 1.421 177.293 176.117 -0.407 0.000 1.188 333 I CA 0.839 61.499 61.300 -1.066 0.000 1.427 333 I CB 0.612 37.848 38.000 -1.273 0.000 1.365 333 I HN 0.173 nan 8.210 nan 0.000 0.585 334 G N 4.756 113.394 108.800 -0.270 0.000 3.022 334 G HA2 0.191 4.147 3.960 -0.008 0.000 0.157 334 G HA3 0.191 4.147 3.960 -0.008 0.000 0.157 334 G C 0.347 175.171 174.900 -0.127 0.000 1.468 334 G CA -0.132 44.896 45.100 -0.119 0.000 1.058 334 G HN 0.690 nan 8.290 nan 0.000 0.581 335 E N -0.284 119.874 120.200 -0.069 0.000 2.481 335 E HA 0.119 4.465 4.350 -0.008 0.000 0.198 335 E C 0.564 177.137 176.600 -0.046 0.000 1.027 335 E CA 0.397 56.761 56.400 -0.060 0.000 0.900 335 E CB 0.712 30.387 29.700 -0.040 0.000 0.993 335 E HN 0.429 nan 8.360 nan 0.000 0.482 336 T N -1.902 112.632 114.554 -0.033 0.000 2.864 336 T HA 0.797 5.143 4.350 -0.008 0.000 0.299 336 T C -0.644 174.071 174.700 0.025 0.000 1.166 336 T CA -0.462 61.635 62.100 -0.005 0.000 1.007 336 T CB 2.605 71.480 68.868 0.011 0.000 1.219 336 T HN 0.032 nan 8.240 nan 0.000 0.506 337 A N 0.622 123.470 122.820 0.047 0.000 2.467 337 A HA 0.810 5.125 4.320 -0.008 0.000 0.301 337 A C -2.145 175.487 177.584 0.081 0.000 1.126 337 A CA -0.786 51.312 52.037 0.101 0.000 0.632 337 A CB 0.788 19.847 19.000 0.097 0.000 1.331 337 A HN 0.892 nan 8.150 nan 0.000 0.482 338 I N -0.094 120.535 120.570 0.099 0.000 2.582 338 I HA 0.586 4.751 4.170 -0.008 0.000 0.292 338 I C -0.941 175.218 176.117 0.070 0.000 1.066 338 I CA -0.443 60.899 61.300 0.069 0.000 1.053 338 I CB 2.145 40.183 38.000 0.064 0.000 1.241 338 I HN 0.415 nan 8.210 nan 0.000 0.421 339 V N 6.173 126.118 119.914 0.053 0.000 2.459 339 V HA 0.454 4.569 4.120 -0.008 0.000 0.295 339 V C -0.374 175.745 176.094 0.041 0.000 1.029 339 V CA -0.729 61.602 62.300 0.051 0.000 0.874 339 V CB 1.702 33.552 31.823 0.046 0.000 0.985 339 V HN 0.772 nan 8.190 nan 0.000 0.438 340 Q N 5.267 125.090 119.800 0.039 0.000 2.303 340 Q HA 0.699 5.034 4.340 -0.008 0.000 0.257 340 Q C -1.289 174.728 176.000 0.028 0.000 0.941 340 Q CA -0.338 55.483 55.803 0.031 0.000 0.931 340 Q CB 1.429 30.183 28.738 0.027 0.000 1.215 340 Q HN 0.718 nan 8.270 nan 0.000 0.437 341 I N 4.657 125.241 120.570 0.024 0.000 2.420 341 I HA 0.358 4.523 4.170 -0.008 0.000 0.282 341 I C -0.074 176.053 176.117 0.017 0.000 1.019 341 I CA -0.772 60.541 61.300 0.022 0.000 1.130 341 I CB 0.991 39.004 38.000 0.022 0.000 1.262 341 I HN 0.899 nan 8.210 nan 0.000 0.454 342 R N 3.150 123.660 120.500 0.016 0.000 3.934 342 R HA -0.305 4.030 4.340 -0.008 0.000 0.384 342 R C 1.088 177.395 176.300 0.012 0.000 0.241 342 R CA 1.562 57.670 56.100 0.013 0.000 1.241 342 R CB -1.102 29.205 30.300 0.011 0.000 0.999 342 R HN 0.548 nan 8.270 nan 0.000 0.562 343 N N 1.324 120.030 118.700 0.010 0.000 2.166 343 N HA -0.042 4.693 4.740 -0.008 0.000 0.186 343 N C -0.003 175.514 175.510 0.010 0.000 1.019 343 N CA 1.439 54.494 53.050 0.009 0.000 0.856 343 N CB -0.111 38.380 38.487 0.007 0.000 0.993 343 N HN 0.217 nan 8.380 nan 0.000 0.426 344 R N 0.979 121.486 120.500 0.012 0.000 2.404 344 R HA 0.283 4.618 4.340 -0.008 0.000 0.291 344 R C -0.359 175.951 176.300 0.017 0.000 1.025 344 R CA -0.304 55.804 56.100 0.013 0.000 0.991 344 R CB 0.974 31.281 30.300 0.013 0.000 1.053 344 R HN 0.125 nan 8.270 nan 0.000 0.479 345 E N 3.686 123.896 120.200 0.017 0.000 2.014 345 E HA 0.131 4.477 4.350 -0.008 0.000 0.275 345 E C -0.327 176.286 176.600 0.021 0.000 0.997 345 E CA -0.378 56.035 56.400 0.022 0.000 0.804 345 E CB 0.889 30.602 29.700 0.022 0.000 1.090 345 E HN 0.195 nan 8.360 nan 0.000 0.401 346 M N 4.851 124.465 119.600 0.024 0.000 2.143 346 M HA 0.252 4.728 4.480 -0.008 0.000 0.348 346 M C -2.295 174.018 176.300 0.021 0.000 1.375 346 M CA -2.858 52.454 55.300 0.021 0.000 1.124 346 M CB -0.197 32.416 32.600 0.022 0.000 1.669 346 M HN 0.083 nan 8.290 nan 0.000 0.469 347 P HA 0.382 nan 4.420 nan 0.000 0.275 347 P C -0.656 176.647 177.300 0.004 0.000 1.228 347 P CA -0.345 62.763 63.100 0.013 0.000 0.786 347 P CB 0.921 32.624 31.700 0.006 0.000 0.927 348 V N -0.721 119.197 119.914 0.008 0.000 3.159 348 V HA 0.599 4.714 4.120 -0.008 0.000 0.308 348 V C -0.725 175.365 176.094 -0.006 0.000 1.190 348 V CA -1.198 61.101 62.300 -0.002 0.000 1.037 348 V CB 2.300 34.133 31.823 0.017 0.000 1.060 348 V HN 0.432 nan 8.190 nan 0.000 0.437 349 K N 1.402 121.792 120.400 -0.016 0.000 2.130 349 K HA 0.740 5.056 4.320 -0.008 0.000 0.268 349 K C -1.292 175.305 176.600 -0.005 0.000 0.983 349 K CA -0.570 55.706 56.287 -0.018 0.000 0.893 349 K CB 1.927 34.409 32.500 -0.030 0.000 1.066 349 K HN 0.720 nan 8.250 nan 0.000 0.450 350 V N 3.658 123.554 119.914 -0.029 0.000 2.394 350 V HA 0.321 4.437 4.120 -0.008 0.000 0.282 350 V C 0.187 176.243 176.094 -0.063 0.000 1.031 350 V CA -0.457 61.813 62.300 -0.050 0.000 0.881 350 V CB 1.148 32.911 31.823 -0.101 0.000 0.982 350 V HN 1.067 nan 8.190 nan 0.000 0.451 351 T N 1.776 116.285 114.554 -0.075 0.000 2.804 351 T HA 0.582 4.928 4.350 -0.008 0.000 0.290 351 T C -0.446 174.149 174.700 -0.175 0.000 1.099 351 T CA -1.080 60.948 62.100 -0.120 0.000 1.011 351 T CB 1.515 70.310 68.868 -0.123 0.000 1.291 351 T HN 0.390 nan 8.240 nan 0.000 0.523 352 K N 1.952 122.226 120.400 -0.210 0.000 2.380 352 K HA 0.239 4.554 4.320 -0.008 0.000 0.267 352 K C -1.983 174.392 176.600 -0.375 0.000 0.990 352 K CA -1.575 54.571 56.287 -0.236 0.000 0.946 352 K CB 0.279 32.650 32.500 -0.214 0.000 0.937 352 K HN 0.431 nan 8.250 nan 0.000 0.491 353 P HA 0.008 nan 4.420 nan 0.000 0.228 353 P C -1.071 176.005 177.300 -0.374 0.000 1.748 353 P CA 0.301 63.233 63.100 -0.281 0.000 0.909 353 P CB 0.067 31.715 31.700 -0.087 0.000 1.882 354 V N 0.869 120.364 119.914 -0.698 0.000 2.882 354 V HA 0.317 4.433 4.120 -0.008 0.000 0.295 354 V C -0.503 175.196 176.094 -0.658 0.000 1.273 354 V CA -0.502 61.493 62.300 -0.508 0.000 0.949 354 V CB 1.429 33.101 31.823 -0.252 0.000 1.071 354 V HN -0.061 nan 8.190 nan 0.000 0.432 355 F N 4.850 124.771 119.950 -0.048 0.000 2.637 355 F HA 0.522 5.045 4.527 -0.008 0.000 0.284 355 F C 0.490 176.267 175.800 -0.039 0.000 1.105 355 F CA 0.031 58.008 58.000 -0.039 0.000 1.356 355 F CB 0.669 39.647 39.000 -0.036 0.000 1.096 355 F HN 0.304 nan 8.300 nan 0.000 0.616 356 V N 0.206 120.202 119.914 0.136 0.000 3.040 356 V HA 0.618 4.734 4.120 -0.008 0.000 0.312 356 V C -0.810 175.288 176.094 0.006 0.000 1.115 356 V CA -1.099 61.237 62.300 0.060 0.000 0.998 356 V CB 2.768 34.629 31.823 0.063 0.000 1.042 356 V HN 0.003 nan 8.190 nan 0.000 0.433 357 R N 1.536 122.029 120.500 -0.011 0.000 2.508 357 R HA 0.413 4.748 4.340 -0.008 0.000 0.283 357 R C -0.456 175.828 176.300 -0.027 0.000 1.120 357 R CA -0.743 55.340 56.100 -0.028 0.000 0.958 357 R CB 1.238 31.513 30.300 -0.043 0.000 1.215 357 R HN 0.905 nan 8.270 nan 0.000 0.427 358 N N 1.565 120.247 118.700 -0.030 0.000 2.738 358 N HA -0.251 4.485 4.740 -0.008 0.000 0.249 358 N C 0.654 176.142 175.510 -0.037 0.000 1.047 358 N CA 0.954 53.983 53.050 -0.035 0.000 0.707 358 N CB -0.490 37.978 38.487 -0.032 0.000 0.937 358 N HN 1.093 nan 8.380 nan 0.000 0.545 359 G N -1.311 107.465 108.800 -0.039 0.000 2.268 359 G HA2 -0.339 3.616 3.960 -0.008 0.000 0.240 359 G HA3 -0.339 3.616 3.960 -0.008 0.000 0.240 359 G C -0.017 174.875 174.900 -0.014 0.000 1.010 359 G CA 0.769 45.848 45.100 -0.036 0.000 0.618 359 G HN 0.459 nan 8.290 nan 0.000 0.516 360 K N 0.325 120.718 120.400 -0.011 0.000 2.318 360 K HA 0.743 5.058 4.320 -0.008 0.000 0.249 360 K C 0.087 176.690 176.600 0.005 0.000 0.942 360 K CA -0.312 55.973 56.287 -0.004 0.000 0.808 360 K CB 2.205 34.699 32.500 -0.010 0.000 1.189 360 K HN 0.595 nan 8.250 nan 0.000 0.428 361 A N 2.230 125.057 122.820 0.011 0.000 2.473 361 A HA 0.129 4.444 4.320 -0.008 0.000 0.282 361 A C 0.237 177.828 177.584 0.011 0.000 1.163 361 A CA -0.341 51.711 52.037 0.025 0.000 0.827 361 A CB -0.453 18.566 19.000 0.031 0.000 1.098 361 A HN 0.486 nan 8.150 nan 0.000 0.515 362 V N 3.382 123.298 119.914 0.003 0.000 2.539 362 V HA 0.143 4.258 4.120 -0.008 0.000 0.300 362 V C 1.316 177.391 176.094 -0.032 0.000 1.019 362 V CA 0.650 62.933 62.300 -0.028 0.000 1.160 362 V CB -0.710 31.077 31.823 -0.060 0.000 0.901 362 V HN 1.066 nan 8.190 nan 0.000 0.481 363 A N 0.000 122.800 122.820 -0.034 0.000 2.254 363 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 363 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 363 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486