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 1cl2_1_B DATA FIRST_RESID 4 DATA SEQUENCE KKLDTQLVNA GRSKKYTLGA VNSVIQRASS LVFDSVEAKK HATRNRANGE DATA SEQUENCE LFYGRRGTLT HFSLQQAMCE LEGGAGCVLF PCGAAAVANS ILAFIEQGDH DATA SEQUENCE VLMTNTAYEP SQDFCSKILS KLGVTTSWFD PLIGADIVKH LQPNTKIVFL DATA SEQUENCE ESPGSITMEV HDVPAIVAAV RSVVPDAIIM IDNTWAAGVL FKALDFGIDV DATA SEQUENCE SIQAATKYLV GHSDAMIGTA VCNARCWEQL RENAYLMGQM VDADTAYITS DATA SEQUENCE RGLRTLGVRL RQHHESSLKV AEWLAEHPQV ARVNHPALPG SKGHEFWKRD DATA SEQUENCE FTGSSGLFSF VLKKKLNNEE LANYLDNFSL FSMAYSWGGY ESLILANQPE DATA SEQUENCE HIAAIRPQGE IDFSGTLIRL HIGLEDVDDL IADLDAGFAR IV 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.601 176.600 0.002 0.000 0.988 4 K CA 0.000 56.288 56.287 0.001 0.000 0.838 4 K CB 0.000 32.501 32.500 0.001 0.000 1.064 5 K N 1.966 122.369 120.400 0.005 0.000 2.102 5 K HA 0.203 nan 4.320 nan 0.000 0.244 5 K C 0.870 177.476 176.600 0.010 0.000 1.021 5 K CA -1.233 55.058 56.287 0.007 0.000 0.913 5 K CB 1.072 33.577 32.500 0.009 0.000 1.062 5 K HN -0.234 8.019 8.250 0.005 0.000 0.485 6 L N 2.421 123.653 121.223 0.014 0.000 1.997 6 L HA -0.366 nan 4.340 nan 0.000 0.216 6 L C 1.200 178.081 176.870 0.018 0.000 1.074 6 L CA 3.286 58.137 54.840 0.018 0.000 0.763 6 L CB -0.574 41.500 42.059 0.025 0.000 0.890 6 L HN 0.250 8.489 8.230 0.015 0.000 0.434 7 D N -4.764 115.647 120.400 0.019 0.000 2.149 7 D HA -0.251 nan 4.640 nan 0.000 0.198 7 D C 2.841 179.150 176.300 0.015 0.000 0.990 7 D CA 3.855 57.866 54.000 0.018 0.000 0.839 7 D CB -0.886 39.924 40.800 0.017 0.000 0.948 7 D HN 0.438 8.819 8.370 0.019 0.000 0.460 8 T N 2.604 117.165 114.554 0.012 0.000 2.904 8 T HA -0.148 nan 4.350 nan 0.000 0.267 8 T C 2.138 176.845 174.700 0.011 0.000 1.059 8 T CA 3.850 65.956 62.100 0.011 0.000 1.137 8 T CB -0.452 68.421 68.868 0.008 0.000 0.879 8 T HN -0.546 7.682 8.240 0.012 0.020 0.467 9 Q N 1.841 121.648 119.800 0.011 0.000 2.083 9 Q HA -0.238 nan 4.340 nan 0.000 0.198 9 Q C 2.268 178.276 176.000 0.013 0.000 0.969 9 Q CA 3.363 59.172 55.803 0.011 0.000 0.838 9 Q CB 0.027 28.771 28.738 0.009 0.000 0.900 9 Q HN -0.413 7.742 8.270 0.011 0.123 0.436 10 L N -0.923 120.309 121.223 0.015 0.000 2.083 10 L HA -0.366 nan 4.340 nan 0.000 0.209 10 L C 2.186 179.063 176.870 0.012 0.000 1.083 10 L CA 3.388 58.237 54.840 0.016 0.000 0.752 10 L CB -0.235 41.837 42.059 0.022 0.000 0.899 10 L HN 0.456 8.696 8.230 0.016 0.000 0.433 11 V N -0.921 119.001 119.914 0.012 0.000 2.358 11 V HA -0.433 nan 4.120 nan 0.000 0.246 11 V C 2.187 178.286 176.094 0.009 0.000 1.047 11 V CA 4.668 66.974 62.300 0.010 0.000 1.035 11 V CB -0.577 31.253 31.823 0.011 0.000 0.658 11 V HN -0.244 7.954 8.190 0.014 0.000 0.452 12 N N -2.541 116.167 118.700 0.013 0.000 2.325 12 N HA 0.042 nan 4.740 nan 0.000 0.182 12 N C -0.301 175.224 175.510 0.025 0.000 1.088 12 N CA 0.475 53.536 53.050 0.018 0.000 0.879 12 N CB 0.671 39.169 38.487 0.018 0.000 0.983 12 N HN -0.586 7.802 8.380 0.013 0.000 0.471 13 A N -0.512 122.321 122.820 0.021 0.000 2.545 13 A HA -0.123 nan 4.320 nan 0.000 0.253 13 A C 0.634 178.240 177.584 0.036 0.000 1.074 13 A CA 1.561 53.613 52.037 0.025 0.000 0.760 13 A CB -0.758 18.250 19.000 0.014 0.000 1.005 13 A HN -0.250 7.909 8.150 0.015 0.000 0.506 14 G N 3.651 112.492 108.800 0.068 0.000 2.184 14 G HA2 -0.496 nan 3.960 nan 0.000 0.264 14 G HA3 -0.496 nan 3.960 nan 0.000 0.264 14 G C -0.066 174.948 174.900 0.190 0.000 0.975 14 G CA 1.044 46.213 45.100 0.113 0.000 0.642 14 G HN 0.370 8.837 8.290 0.067 -0.136 0.536 15 R N 0.953 121.532 120.500 0.131 0.000 4.394 15 R HA 0.101 nan 4.340 nan 0.000 0.257 15 R C -0.975 175.393 176.300 0.113 0.000 1.727 15 R CA -1.220 54.958 56.100 0.129 0.000 1.497 15 R CB -0.887 29.453 30.300 0.066 0.000 1.406 15 R HN -0.520 7.738 8.270 0.088 0.065 0.745 16 S N -0.106 115.676 115.700 0.137 0.000 2.601 16 S HA 0.118 nan 4.470 nan 0.000 0.271 16 S C 0.900 175.468 174.600 -0.054 0.000 1.305 16 S CA -0.960 57.238 58.200 -0.003 0.000 1.022 16 S CB 1.777 64.923 63.200 -0.090 0.000 0.940 16 S HN -0.607 7.817 8.310 0.290 0.060 0.525 17 K N 3.417 123.781 120.400 -0.060 0.000 2.218 17 K HA -0.380 nan 4.320 nan 0.000 0.205 17 K C 2.009 178.558 176.600 -0.086 0.000 1.046 17 K CA 3.536 59.795 56.287 -0.046 0.000 0.933 17 K CB -0.070 32.409 32.500 -0.034 0.000 0.728 17 K HN 0.675 8.896 8.250 -0.049 0.000 0.454 18 K N -1.088 119.181 120.400 -0.218 0.000 2.152 18 K HA -0.222 nan 4.320 nan 0.000 0.206 18 K C 0.975 177.448 176.600 -0.212 0.000 1.048 18 K CA 2.172 58.287 56.287 -0.286 0.000 0.933 18 K CB -0.487 31.716 32.500 -0.495 0.000 0.721 18 K HN -0.012 8.043 8.250 -0.269 0.035 0.447 19 Y N -5.601 114.741 120.300 0.070 0.000 2.524 19 Y HA 0.167 nan 4.550 nan 0.000 0.270 19 Y C 1.491 177.423 175.900 0.054 0.000 1.094 19 Y CA 0.937 59.079 58.100 0.069 0.000 1.276 19 Y CB 0.675 39.182 38.460 0.077 0.000 1.130 19 Y HN -0.101 7.878 8.280 -0.278 0.134 0.536 20 T N -3.057 111.594 114.554 0.161 0.000 3.031 20 T HA 0.061 nan 4.350 nan 0.000 0.254 20 T C 1.113 175.857 174.700 0.073 0.000 1.060 20 T CA 1.281 63.450 62.100 0.115 0.000 1.135 20 T CB 0.956 69.878 68.868 0.091 0.000 0.896 20 T HN -0.365 7.861 8.240 0.112 0.082 0.472 21 L N -0.602 120.650 121.223 0.048 0.000 3.717 21 L HA -0.535 nan 4.340 nan 0.000 0.414 21 L C 0.236 177.121 176.870 0.025 0.000 1.228 21 L CA 0.617 55.475 54.840 0.031 0.000 0.918 21 L CB -2.386 39.695 42.059 0.036 0.000 1.865 21 L HN 0.299 8.440 8.230 0.040 0.112 0.922 22 G N -4.927 103.888 108.800 0.025 0.000 2.259 22 G HA2 -0.360 nan 3.960 nan 0.000 0.217 22 G HA3 -0.360 nan 3.960 nan 0.000 0.217 22 G C -0.351 174.566 174.900 0.027 0.000 1.001 22 G CA -0.588 44.525 45.100 0.021 0.000 0.627 22 G HN -0.201 8.104 8.290 0.025 0.000 0.501 23 A N 0.198 123.041 122.820 0.039 0.000 2.246 23 A HA 0.234 nan 4.320 nan 0.000 0.291 23 A C 0.803 178.417 177.584 0.050 0.000 1.103 23 A CA -0.782 51.282 52.037 0.045 0.000 0.844 23 A CB 1.310 20.344 19.000 0.058 0.000 1.136 23 A HN -0.454 7.546 8.150 0.044 0.176 0.500 24 V N -1.822 118.121 119.914 0.049 0.000 2.346 24 V HA -0.125 nan 4.120 nan 0.000 0.244 24 V C 0.006 176.129 176.094 0.048 0.000 1.037 24 V CA 2.111 64.436 62.300 0.041 0.000 1.029 24 V CB 0.108 31.950 31.823 0.032 0.000 0.663 24 V HN 0.224 8.444 8.190 0.049 0.000 0.454 25 N N -2.183 116.560 118.700 0.072 0.000 2.489 25 N HA 0.106 nan 4.740 nan 0.000 0.284 25 N C -1.322 174.275 175.510 0.145 0.000 1.158 25 N CA -0.424 52.669 53.050 0.072 0.000 0.965 25 N CB 2.386 40.924 38.487 0.084 0.000 1.195 25 N HN -0.287 8.146 8.380 0.090 0.000 0.506 26 S N -1.491 114.291 115.700 0.135 0.000 2.573 26 S HA 0.060 nan 4.470 nan 0.000 0.277 26 S C 0.829 175.575 174.600 0.243 0.000 1.346 26 S CA 0.250 58.560 58.200 0.183 0.000 1.034 26 S CB 0.917 64.193 63.200 0.127 0.000 0.879 26 S HN -0.142 8.188 8.310 0.033 0.000 0.528 27 V N -4.300 115.707 119.914 0.154 0.000 3.051 27 V HA 0.275 nan 4.120 nan 0.000 0.306 27 V C -0.110 176.003 176.094 0.032 0.000 1.083 27 V CA -0.911 61.435 62.300 0.076 0.000 1.104 27 V CB 0.979 32.830 31.823 0.046 0.000 1.027 27 V HN 0.427 8.710 8.190 0.155 0.000 0.483 28 I N 2.114 122.633 120.570 -0.084 0.000 2.306 28 I HA 0.199 nan 4.170 nan 0.000 0.288 28 I C -0.937 175.121 176.117 -0.099 0.000 1.036 28 I CA -0.507 60.712 61.300 -0.135 0.000 1.221 28 I CB -0.413 37.419 38.000 -0.280 0.000 1.385 28 I HN -0.061 8.079 8.210 -0.116 0.000 0.472 29 Q N 9.044 128.795 119.800 -0.082 0.000 2.466 29 Q HA 0.138 nan 4.340 nan 0.000 0.242 29 Q C -1.431 174.527 176.000 -0.070 0.000 1.046 29 Q CA -1.334 54.429 55.803 -0.067 0.000 0.841 29 Q CB 1.243 29.948 28.738 -0.055 0.000 1.193 29 Q HN 0.409 8.624 8.270 -0.091 0.000 0.508 30 R N 5.940 126.398 120.500 -0.070 0.000 2.234 30 R HA 0.019 nan 4.340 nan 0.000 0.324 30 R C -1.145 175.115 176.300 -0.067 0.000 1.054 30 R CA -0.109 55.954 56.100 -0.062 0.000 0.912 30 R CB 0.342 30.604 30.300 -0.064 0.000 1.030 30 R HN 0.259 8.486 8.270 -0.072 0.000 0.455 31 A N 4.795 127.568 122.820 -0.079 0.000 2.599 31 A HA 0.335 nan 4.320 nan 0.000 0.294 31 A C -1.693 175.783 177.584 -0.179 0.000 1.055 31 A CA -0.271 51.699 52.037 -0.112 0.000 0.683 31 A CB 1.743 20.674 19.000 -0.115 0.000 1.278 31 A HN 0.143 8.254 8.150 -0.064 0.000 0.412 32 S N -0.566 115.020 115.700 -0.189 0.000 2.942 32 S HA 0.026 nan 4.470 nan 0.000 0.220 32 S C 0.067 174.501 174.600 -0.277 0.000 0.945 32 S CA 0.271 58.278 58.200 -0.321 0.000 0.851 32 S CB 0.831 63.949 63.200 -0.137 0.000 0.820 32 S HN 0.100 8.334 8.310 -0.127 0.000 0.624 33 S N 3.533 119.194 115.700 -0.064 0.000 2.549 33 S HA -0.007 nan 4.470 nan 0.000 0.283 33 S C -1.094 173.430 174.600 -0.127 0.000 1.320 33 S CA 1.815 60.002 58.200 -0.022 0.000 1.058 33 S CB 0.272 63.457 63.200 -0.025 0.000 0.882 33 S HN -0.169 8.111 8.310 -0.050 0.000 0.498 34 L N 5.689 126.786 121.223 -0.209 0.000 2.409 34 L HA 0.279 nan 4.340 nan 0.000 0.272 34 L C -0.907 175.603 176.870 -0.600 0.000 0.980 34 L CA -0.515 54.145 54.840 -0.299 0.000 0.826 34 L CB 2.472 44.399 42.059 -0.221 0.000 1.268 34 L HN 0.151 8.249 8.230 -0.219 0.000 0.407 35 V N 3.158 122.804 119.914 -0.446 0.000 2.546 35 V HA 0.079 nan 4.120 nan 0.000 0.284 35 V C 0.131 175.937 176.094 -0.479 0.000 1.050 35 V CA -0.432 61.594 62.300 -0.456 0.000 0.981 35 V CB 0.289 32.005 31.823 -0.179 0.000 0.990 35 V HN 0.025 8.048 8.190 -0.278 0.000 0.474 36 F N 3.253 123.227 119.950 0.041 0.000 2.427 36 F HA 0.197 nan 4.527 nan 0.000 0.346 36 F C 0.130 175.958 175.800 0.047 0.000 1.120 36 F CA -1.022 57.014 58.000 0.059 0.000 1.033 36 F CB 1.201 40.242 39.000 0.068 0.000 1.126 36 F HN 0.056 8.191 8.300 -0.275 0.000 0.462 37 D N 1.973 122.498 120.400 0.208 0.000 2.219 37 D HA -0.115 nan 4.640 nan 0.000 0.205 37 D C -0.132 176.239 176.300 0.119 0.000 0.970 37 D CA 1.754 55.830 54.000 0.126 0.000 0.851 37 D CB 0.353 41.210 40.800 0.094 0.000 0.943 37 D HN 0.554 9.064 8.370 0.232 0.000 0.488 38 S N -3.608 112.178 115.700 0.144 0.000 2.643 38 S HA 0.038 nan 4.470 nan 0.000 0.270 38 S C 0.577 175.230 174.600 0.089 0.000 1.166 38 S CA -0.857 57.402 58.200 0.098 0.000 0.815 38 S CB 2.674 65.914 63.200 0.066 0.000 1.139 38 S HN -0.618 7.780 8.310 0.194 0.028 0.472 39 V N 2.762 122.706 119.914 0.050 0.000 2.343 39 V HA -0.341 nan 4.120 nan 0.000 0.247 39 V C 1.903 178.003 176.094 0.009 0.000 1.051 39 V CA 3.520 65.830 62.300 0.017 0.000 1.036 39 V CB -1.158 30.672 31.823 0.012 0.000 0.654 39 V HN 0.565 8.783 8.190 0.047 0.000 0.451 40 E N -0.567 119.649 120.200 0.027 0.000 2.051 40 E HA -0.272 nan 4.350 nan 0.000 0.192 40 E C 1.867 178.503 176.600 0.060 0.000 0.991 40 E CA 2.796 59.214 56.400 0.030 0.000 0.799 40 E CB -0.813 28.900 29.700 0.022 0.000 0.748 40 E HN 0.538 8.911 8.360 0.031 0.006 0.449 41 A N -0.611 122.260 122.820 0.086 0.000 1.930 41 A HA -0.285 nan 4.320 nan 0.000 0.217 41 A C 2.139 179.805 177.584 0.137 0.000 1.175 41 A CA 2.977 55.108 52.037 0.156 0.000 0.627 41 A CB -0.576 18.543 19.000 0.198 0.000 0.815 41 A HN -0.239 7.884 8.150 0.080 0.075 0.443 42 K N -1.079 119.303 120.400 -0.031 0.000 2.057 42 K HA -0.336 nan 4.320 nan 0.000 0.206 42 K C 2.108 178.544 176.600 -0.272 0.000 1.050 42 K CA 3.295 59.290 56.287 -0.486 0.000 0.935 42 K CB -0.028 32.126 32.500 -0.576 0.000 0.715 42 K HN -0.058 8.105 8.250 0.013 0.095 0.439 43 K N -1.417 118.922 120.400 -0.102 0.000 2.026 43 K HA -0.286 nan 4.320 nan 0.000 0.208 43 K C 1.819 178.411 176.600 -0.015 0.000 1.048 43 K CA 2.815 59.069 56.287 -0.055 0.000 0.929 43 K CB -1.243 31.248 32.500 -0.015 0.000 0.713 43 K HN -0.081 8.129 8.250 -0.066 0.000 0.439 44 H N 0.561 119.609 119.070 -0.037 0.000 2.387 44 H HA -0.288 nan 4.556 nan 0.000 0.299 44 H C 2.037 177.368 175.328 0.006 0.000 1.090 44 H CA 3.696 59.737 56.048 -0.010 0.000 1.332 44 H CB 0.614 30.389 29.762 0.021 0.000 1.386 44 H HN -0.180 8.190 8.280 0.151 0.000 0.516 45 A N -2.332 120.507 122.820 0.032 0.000 1.929 45 A HA -0.194 nan 4.320 nan 0.000 0.216 45 A C 1.303 178.846 177.584 -0.069 0.000 1.176 45 A CA 2.470 54.567 52.037 0.100 0.000 0.628 45 A CB -0.488 18.782 19.000 0.449 0.000 0.816 45 A HN -0.366 7.769 8.150 0.112 0.083 0.444 46 T N -0.028 114.432 114.554 -0.158 0.000 2.674 46 T HA -0.216 nan 4.350 nan 0.000 0.265 46 T C 2.685 177.115 174.700 -0.450 0.000 1.039 46 T CA 4.089 65.906 62.100 -0.473 0.000 1.150 46 T CB 0.085 68.818 68.868 -0.226 0.000 0.864 46 T HN -0.304 7.881 8.240 -0.091 0.000 0.427 47 R N 0.261 120.589 120.500 -0.286 0.000 2.193 47 R HA -0.181 nan 4.340 nan 0.000 0.229 47 R C 0.456 176.590 176.300 -0.278 0.000 1.110 47 R CA 2.433 58.383 56.100 -0.249 0.000 0.988 47 R CB -0.678 29.516 30.300 -0.177 0.000 0.871 47 R HN -0.288 7.848 8.270 -0.223 0.000 0.458 48 N N -2.822 115.686 118.700 -0.320 0.000 2.282 48 N HA 0.148 nan 4.740 nan 0.000 0.240 48 N C 0.263 175.630 175.510 -0.238 0.000 1.182 48 N CA -0.224 52.661 53.050 -0.274 0.000 0.874 48 N CB 0.990 39.287 38.487 -0.317 0.000 1.126 48 N HN -0.753 7.262 8.380 -0.333 0.165 0.516 49 R N 1.496 121.791 120.500 -0.342 0.000 2.200 49 R HA -0.227 nan 4.340 nan 0.000 0.234 49 R C -0.614 175.554 176.300 -0.221 0.000 1.127 49 R CA 3.067 58.961 56.100 -0.344 0.000 0.989 49 R CB -0.204 29.536 30.300 -0.934 0.000 0.869 49 R HN -0.422 7.422 8.270 -0.432 0.166 0.459 50 A N -3.494 119.173 122.820 -0.256 0.000 2.535 50 A HA 0.147 nan 4.320 nan 0.000 0.273 50 A C -1.154 176.338 177.584 -0.154 0.000 1.267 50 A CA -0.608 51.288 52.037 -0.234 0.000 0.940 50 A CB 0.160 18.962 19.000 -0.330 0.000 1.101 50 A HN -0.242 7.695 8.150 -0.283 0.044 0.521 51 N N -1.055 117.553 118.700 -0.153 0.000 2.571 51 N HA 0.078 nan 4.740 nan 0.000 0.298 51 N C 0.220 175.608 175.510 -0.203 0.000 1.671 51 N CA 0.132 53.124 53.050 -0.097 0.000 0.900 51 N CB 0.771 39.217 38.487 -0.068 0.000 1.365 51 N HN -0.258 7.847 8.380 -0.179 0.168 0.493 52 G N -2.827 105.702 108.800 -0.452 0.000 2.143 52 G HA2 -0.438 nan 3.960 nan 0.000 0.248 52 G HA3 -0.438 nan 3.960 nan 0.000 0.248 52 G C -1.250 173.382 174.900 -0.447 0.000 0.991 52 G CA 0.336 44.901 45.100 -0.891 0.000 0.689 52 G HN 0.194 8.217 8.290 -0.445 0.000 0.522 53 E N -0.678 119.441 120.200 -0.135 0.000 2.179 53 E HA 0.272 nan 4.350 nan 0.000 0.275 53 E C -0.948 175.858 176.600 0.343 0.000 0.945 53 E CA -2.002 54.477 56.400 0.131 0.000 0.792 53 E CB 1.510 31.248 29.700 0.063 0.000 1.125 53 E HN -0.668 7.599 8.360 -0.155 0.000 0.397 54 L N 3.314 124.797 121.223 0.434 0.000 2.584 54 L HA -0.160 nan 4.340 nan 0.000 0.272 54 L C -0.439 176.706 176.870 0.458 0.000 1.195 54 L CA 0.655 55.747 54.840 0.420 0.000 0.920 54 L CB -0.121 42.096 42.059 0.263 0.000 1.173 54 L HN 0.338 8.798 8.230 0.383 0.000 0.489 55 F N 6.115 126.242 119.950 0.296 0.000 2.334 55 F HA 0.194 nan 4.527 nan 0.000 0.269 55 F C -2.476 173.565 175.800 0.403 0.000 0.879 55 F CA 0.278 58.511 58.000 0.388 0.000 1.102 55 F CB 3.895 43.064 39.000 0.282 0.000 1.032 55 F HN 0.096 8.678 8.300 0.469 0.000 0.782 56 Y N -4.217 116.095 120.300 0.019 0.000 2.521 56 Y HA 0.066 nan 4.550 nan 0.000 0.328 56 Y C -0.085 175.832 175.900 0.028 0.000 1.151 56 Y CA -0.592 57.446 58.100 -0.102 0.000 1.054 56 Y CB 3.336 41.695 38.460 -0.169 0.000 1.338 56 Y HN -0.706 7.809 8.280 0.392 0.000 0.453 57 G N 4.689 112.997 108.800 -0.820 0.000 2.517 57 G HA2 -0.364 nan 3.960 nan 0.000 0.222 57 G HA3 -0.364 nan 3.960 nan 0.000 0.222 57 G C -0.279 174.362 174.900 -0.432 0.000 1.109 57 G CA 1.634 46.383 45.100 -0.585 0.000 0.746 57 G HN 0.673 8.238 8.290 -1.049 0.096 0.576 58 R N -1.502 118.768 120.500 -0.383 0.000 2.148 58 R HA -0.166 nan 4.340 nan 0.000 0.227 58 R C 0.912 177.355 176.300 0.239 0.000 1.103 58 R CA 1.777 57.905 56.100 0.047 0.000 0.983 58 R CB -0.415 30.072 30.300 0.312 0.000 0.874 58 R HN -0.071 7.650 8.270 -0.857 0.035 0.451 59 R N -4.653 116.005 120.500 0.263 0.000 2.200 59 R HA 0.025 nan 4.340 nan 0.000 0.208 59 R C 0.119 176.477 176.300 0.096 0.000 1.033 59 R CA 0.169 56.390 56.100 0.200 0.000 1.000 59 R CB 1.203 31.642 30.300 0.232 0.000 0.906 59 R HN -0.205 8.096 8.270 0.252 0.120 0.462 60 G N -2.875 105.855 108.800 -0.117 0.000 2.392 60 G HA2 -0.163 nan 3.960 nan 0.000 0.677 60 G HA3 -0.163 nan 3.960 nan 0.000 0.677 60 G C -2.678 171.963 174.900 -0.433 0.000 1.334 60 G CA -0.815 44.012 45.100 -0.455 0.000 0.961 60 G HN -0.609 7.461 8.290 -0.121 0.147 0.616 61 T N -5.133 109.137 114.554 -0.474 0.000 2.807 61 T HA 0.815 nan 4.350 nan 0.000 0.277 61 T C 1.172 175.348 174.700 -0.872 0.000 1.006 61 T CA -2.761 59.046 62.100 -0.488 0.000 1.006 61 T CB 3.270 72.056 68.868 -0.138 0.000 1.274 61 T HN -0.199 8.004 8.240 -0.062 0.000 0.569 62 L N -0.298 120.656 121.223 -0.449 0.000 2.051 62 L HA -0.469 nan 4.340 nan 0.000 0.214 62 L C 1.845 178.550 176.870 -0.275 0.000 1.076 62 L CA 4.220 58.943 54.840 -0.194 0.000 0.758 62 L CB -0.716 41.413 42.059 0.116 0.000 0.890 62 L HN 0.214 8.578 8.230 -0.233 -0.273 0.433 63 T N -0.321 114.097 114.554 -0.226 0.000 2.759 63 T HA -0.339 nan 4.350 nan 0.000 0.269 63 T C 2.325 176.839 174.700 -0.309 0.000 1.042 63 T CA 4.388 66.350 62.100 -0.229 0.000 1.140 63 T CB -0.681 68.045 68.868 -0.238 0.000 0.864 63 T HN -0.223 7.905 8.240 -0.182 0.003 0.455 64 H N 1.871 120.765 119.070 -0.293 0.000 2.363 64 H HA -0.158 nan 4.556 nan 0.000 0.301 64 H C 2.242 177.529 175.328 -0.069 0.000 1.074 64 H CA 3.527 59.471 56.048 -0.173 0.000 1.354 64 H CB -0.012 29.653 29.762 -0.162 0.000 1.397 64 H HN -0.379 7.623 8.280 -0.253 0.126 0.516 65 F N -0.723 119.182 119.950 -0.074 0.000 2.171 65 F HA -0.187 nan 4.527 nan 0.000 0.300 65 F C 2.495 177.996 175.800 -0.498 0.000 1.090 65 F CA 0.903 58.773 58.000 -0.217 0.000 1.293 65 F CB -1.567 37.326 39.000 -0.179 0.000 1.013 65 F HN -0.095 7.937 8.300 -0.447 0.000 0.486 66 S N -0.328 115.012 115.700 -0.601 0.000 2.356 66 S HA -0.281 nan 4.470 nan 0.000 0.223 66 S C 2.061 176.549 174.600 -0.187 0.000 1.032 66 S CA 3.597 61.447 58.200 -0.583 0.000 1.005 66 S CB -0.126 62.831 63.200 -0.405 0.000 0.867 66 S HN -0.277 7.685 8.310 -0.562 0.010 0.449 67 L N 1.426 122.571 121.223 -0.129 0.000 2.027 67 L HA -0.303 nan 4.340 nan 0.000 0.206 67 L C 1.263 178.124 176.870 -0.015 0.000 1.074 67 L CA 2.947 57.752 54.840 -0.058 0.000 0.745 67 L CB -0.320 41.710 42.059 -0.049 0.000 0.898 67 L HN -0.798 7.338 8.230 -0.156 0.000 0.433 68 Q N -1.944 117.867 119.800 0.018 0.000 2.096 68 Q HA -0.511 nan 4.340 nan 0.000 0.204 68 Q C 2.370 178.368 176.000 -0.003 0.000 0.982 68 Q CA 3.710 59.535 55.803 0.036 0.000 0.850 68 Q CB -0.360 28.437 28.738 0.098 0.000 0.901 68 Q HN 0.226 8.514 8.270 0.030 0.000 0.422 69 Q N -0.414 119.385 119.800 -0.003 0.000 2.119 69 Q HA -0.310 nan 4.340 nan 0.000 0.201 69 Q C 2.118 178.121 176.000 0.005 0.000 0.972 69 Q CA 2.901 58.710 55.803 0.009 0.000 0.847 69 Q CB -0.087 28.697 28.738 0.077 0.000 0.903 69 Q HN -0.223 8.038 8.270 -0.011 0.002 0.433 70 A N 0.308 123.129 122.820 0.002 0.000 1.898 70 A HA -0.283 nan 4.320 nan 0.000 0.216 70 A C 2.382 179.964 177.584 -0.002 0.000 1.181 70 A CA 3.189 55.227 52.037 0.003 0.000 0.620 70 A CB -0.758 18.239 19.000 -0.005 0.000 0.819 70 A HN -0.295 7.763 8.150 -0.009 0.086 0.442 71 M N -2.088 117.510 119.600 -0.003 0.000 2.086 71 M HA -0.292 nan 4.480 nan 0.000 0.261 71 M C 2.251 178.540 176.300 -0.018 0.000 1.067 71 M CA 2.066 57.366 55.300 0.001 0.000 1.116 71 M CB -1.427 31.182 32.600 0.015 0.000 1.348 71 M HN 0.124 8.412 8.290 -0.004 0.000 0.407 72 C N -0.939 118.334 119.300 -0.045 0.000 2.413 72 C HA -0.363 nan 4.460 nan 0.000 0.276 72 C C 2.513 177.469 174.990 -0.057 0.000 1.248 72 C CA 4.438 63.408 59.018 -0.079 0.000 1.742 72 C CB -2.001 25.662 27.740 -0.128 0.000 2.017 72 C HN -0.023 8.181 8.230 -0.043 0.000 0.481 73 E N 0.668 120.846 120.200 -0.036 0.000 2.051 73 E HA -0.317 nan 4.350 nan 0.000 0.192 73 E C 1.483 178.072 176.600 -0.019 0.000 0.991 73 E CA 2.873 59.258 56.400 -0.024 0.000 0.799 73 E CB -0.077 29.619 29.700 -0.008 0.000 0.748 73 E HN -0.690 7.645 8.360 -0.030 0.008 0.449 74 L N -2.866 118.351 121.223 -0.010 0.000 2.027 74 L HA -0.229 nan 4.340 nan 0.000 0.206 74 L C 2.462 179.326 176.870 -0.010 0.000 1.074 74 L CA 2.457 57.295 54.840 -0.003 0.000 0.745 74 L CB 0.346 42.410 42.059 0.009 0.000 0.898 74 L HN -0.302 7.923 8.230 -0.008 0.000 0.433 75 E N -4.931 115.261 120.200 -0.013 0.000 2.479 75 E HA 0.072 nan 4.350 nan 0.000 0.193 75 E C 0.769 177.347 176.600 -0.038 0.000 1.049 75 E CA -0.173 56.216 56.400 -0.019 0.000 0.870 75 E CB 0.588 30.287 29.700 -0.003 0.000 0.944 75 E HN 0.015 8.367 8.360 -0.012 0.000 0.492 76 G N -0.192 108.582 108.800 -0.044 0.000 2.295 76 G HA2 -0.337 nan 3.960 nan 0.000 0.287 76 G HA3 -0.337 nan 3.960 nan 0.000 0.287 76 G C -0.575 174.286 174.900 -0.066 0.000 1.055 76 G CA 0.317 45.385 45.100 -0.055 0.000 0.922 76 G HN -0.119 7.986 8.290 -0.039 0.162 0.503 77 G N -2.975 105.776 108.800 -0.082 0.000 2.613 77 G HA2 0.350 nan 3.960 nan 0.000 0.303 77 G HA3 0.350 nan 3.960 nan 0.000 0.303 77 G C -1.413 173.379 174.900 -0.178 0.000 1.312 77 G CA -1.544 43.492 45.100 -0.107 0.000 1.036 77 G HN -0.663 7.473 8.290 -0.081 0.106 0.513 78 A N -1.066 121.609 122.820 -0.242 0.000 2.115 78 A HA 0.292 nan 4.320 nan 0.000 0.211 78 A C -0.523 176.524 177.584 -0.895 0.000 1.169 78 A CA 0.323 52.138 52.037 -0.371 0.000 0.787 78 A CB 1.289 20.175 19.000 -0.191 0.000 0.858 78 A HN 0.499 8.430 8.150 -0.185 0.108 0.474 79 G N -4.004 104.209 108.800 -0.978 0.000 2.677 79 G HA2 0.092 nan 3.960 nan 0.000 0.291 79 G HA3 0.092 nan 3.960 nan 0.000 0.291 79 G C -3.634 170.974 174.900 -0.486 0.000 1.435 79 G CA 0.198 44.415 45.100 -1.471 0.000 0.826 79 G HN -0.780 7.170 8.290 -0.565 0.000 0.491 80 C N 0.871 120.074 119.300 -0.160 0.000 2.431 80 C HA 0.862 nan 4.460 nan 0.000 0.321 80 C C -0.863 174.227 174.990 0.167 0.000 1.202 80 C CA -1.478 57.565 59.018 0.042 0.000 1.398 80 C CB 0.937 28.687 27.740 0.017 0.000 2.047 80 C HN -0.017 8.141 8.230 -0.119 0.000 0.465 81 V N 8.524 128.549 119.914 0.186 0.000 2.513 81 V HA 0.427 nan 4.120 nan 0.000 0.299 81 V C -1.757 174.279 176.094 -0.097 0.000 1.035 81 V CA -1.094 61.241 62.300 0.059 0.000 0.889 81 V CB 3.144 35.017 31.823 0.084 0.000 0.988 81 V HN 1.019 9.224 8.190 0.219 0.116 0.440 82 L N 2.902 123.956 121.223 -0.282 0.000 2.331 82 L HA 0.703 nan 4.340 nan 0.000 0.275 82 L C -0.793 175.754 176.870 -0.538 0.000 1.022 82 L CA -0.641 54.073 54.840 -0.209 0.000 0.812 82 L CB 1.969 44.020 42.059 -0.013 0.000 1.257 82 L HN 0.060 8.126 8.230 -0.273 0.000 0.435 83 F N -0.195 119.801 119.950 0.077 0.000 2.629 83 F HA 0.489 nan 4.527 nan 0.000 0.316 83 F C -1.678 174.145 175.800 0.038 0.000 1.081 83 F CA -2.452 55.580 58.000 0.053 0.000 0.954 83 F CB 1.277 40.302 39.000 0.042 0.000 1.337 83 F HN 0.242 8.669 8.300 0.213 0.000 0.474 84 P HA -0.091 nan 4.420 nan 0.000 0.220 84 P C -1.649 175.704 177.300 0.088 0.000 1.148 84 P CA 1.209 64.380 63.100 0.118 0.000 0.803 84 P CB -0.055 31.700 31.700 0.092 0.000 0.782 85 C N -8.453 110.908 119.300 0.101 0.000 3.249 85 C HA 0.199 nan 4.460 nan 0.000 0.350 85 C C 0.786 175.789 174.990 0.022 0.000 1.431 85 C CA -1.835 57.205 59.018 0.038 0.000 1.209 85 C CB 1.808 29.551 27.740 0.005 0.000 1.546 85 C HN -0.896 7.395 8.230 0.155 0.032 0.450 86 G N -0.964 107.819 108.800 -0.028 0.000 2.408 86 G HA2 -0.357 nan 3.960 nan 0.000 0.217 86 G HA3 -0.357 nan 3.960 nan 0.000 0.217 86 G C 0.325 175.193 174.900 -0.053 0.000 1.150 86 G CA 2.543 47.615 45.100 -0.047 0.000 0.776 86 G HN 0.684 8.943 8.290 -0.052 0.000 0.542 87 A N 0.711 123.517 122.820 -0.023 0.000 1.972 87 A HA -0.139 nan 4.320 nan 0.000 0.219 87 A C 1.445 178.944 177.584 -0.140 0.000 1.169 87 A CA 2.325 54.351 52.037 -0.017 0.000 0.635 87 A CB -0.830 18.197 19.000 0.044 0.000 0.810 87 A HN -0.034 8.107 8.150 -0.014 0.000 0.446 88 A N -2.239 120.504 122.820 -0.128 0.000 1.969 88 A HA -0.222 nan 4.320 nan 0.000 0.218 88 A C 1.835 179.111 177.584 -0.514 0.000 1.169 88 A CA 2.551 54.480 52.037 -0.180 0.000 0.635 88 A CB -0.768 18.238 19.000 0.011 0.000 0.810 88 A HN -0.476 7.621 8.150 -0.063 0.015 0.445 89 A N -1.402 121.057 122.820 -0.602 0.000 1.898 89 A HA -0.245 nan 4.320 nan 0.000 0.216 89 A C 2.011 179.217 177.584 -0.630 0.000 1.181 89 A CA 3.102 54.469 52.037 -1.117 0.000 0.620 89 A CB -0.558 18.196 19.000 -0.410 0.000 0.819 89 A HN -0.445 7.416 8.150 -0.294 0.113 0.442 90 V N -0.761 118.968 119.914 -0.307 0.000 2.270 90 V HA -0.453 nan 4.120 nan 0.000 0.245 90 V C 1.925 177.799 176.094 -0.367 0.000 1.043 90 V CA 4.530 66.739 62.300 -0.151 0.000 1.014 90 V CB -0.985 30.824 31.823 -0.022 0.000 0.645 90 V HN -0.269 7.772 8.190 -0.248 0.000 0.447 91 A N -2.002 120.442 122.820 -0.626 0.000 1.902 91 A HA -0.385 nan 4.320 nan 0.000 0.217 91 A C 2.033 179.198 177.584 -0.698 0.000 1.181 91 A CA 3.439 54.745 52.037 -1.218 0.000 0.623 91 A CB -0.538 17.763 19.000 -1.165 0.000 0.818 91 A HN 0.192 8.041 8.150 -0.502 0.000 0.443 92 N N -2.528 115.926 118.700 -0.411 0.000 2.354 92 N HA -0.148 nan 4.740 nan 0.000 0.179 92 N C 2.323 177.819 175.510 -0.025 0.000 1.021 92 N CA 2.947 55.910 53.050 -0.145 0.000 0.887 92 N CB 0.115 38.607 38.487 0.008 0.000 0.974 92 N HN -0.195 7.888 8.380 -0.495 0.000 0.437 93 S N 1.931 117.581 115.700 -0.083 0.000 2.368 93 S HA -0.237 nan 4.470 nan 0.000 0.224 93 S C 1.500 176.279 174.600 0.298 0.000 1.029 93 S CA 3.962 62.261 58.200 0.165 0.000 0.988 93 S CB -0.017 63.284 63.200 0.168 0.000 0.838 93 S HN -0.363 7.782 8.310 -0.275 0.000 0.462 94 I N 0.824 121.520 120.570 0.210 0.000 2.163 94 I HA -0.433 nan 4.170 nan 0.000 0.240 94 I C 1.602 177.903 176.117 0.307 0.000 1.081 94 I CA 3.804 65.290 61.300 0.309 0.000 1.353 94 I CB 0.161 38.361 38.000 0.333 0.000 1.054 94 I HN -0.508 7.740 8.210 0.064 0.000 0.407 95 L N -0.284 121.097 121.223 0.263 0.000 2.081 95 L HA -0.351 nan 4.340 nan 0.000 0.212 95 L C 1.587 178.521 176.870 0.107 0.000 1.080 95 L CA 2.938 57.910 54.840 0.221 0.000 0.754 95 L CB -0.407 41.776 42.059 0.207 0.000 0.893 95 L HN -0.404 7.947 8.230 0.201 0.000 0.433 96 A N -1.655 121.189 122.820 0.039 0.000 2.070 96 A HA -0.200 nan 4.320 nan 0.000 0.220 96 A C 1.151 178.502 177.584 -0.389 0.000 1.159 96 A CA 2.603 54.525 52.037 -0.191 0.000 0.656 96 A CB -0.349 18.466 19.000 -0.308 0.000 0.800 96 A HN -0.286 7.901 8.150 0.090 0.018 0.453 97 F N -5.739 114.273 119.950 0.102 0.000 2.720 97 F HA 0.134 nan 4.527 nan 0.000 0.301 97 F C -0.799 175.044 175.800 0.072 0.000 1.103 97 F CA 0.297 58.349 58.000 0.086 0.000 1.291 97 F CB 1.437 40.493 39.000 0.094 0.000 1.086 97 F HN -0.528 7.767 8.300 0.230 0.143 0.592 98 I N -5.057 115.637 120.570 0.207 0.000 2.797 98 I HA 0.228 nan 4.170 nan 0.000 0.310 98 I C -0.786 175.383 176.117 0.087 0.000 0.990 98 I CA -2.243 59.139 61.300 0.138 0.000 1.228 98 I CB 1.138 39.205 38.000 0.111 0.000 1.406 98 I HN -0.805 7.521 8.210 0.194 0.000 0.534 99 E N -0.463 119.777 120.200 0.067 0.000 2.433 99 E HA 0.296 nan 4.350 nan 0.000 0.278 99 E C -1.944 174.677 176.600 0.035 0.000 0.976 99 E CA -2.130 54.298 56.400 0.046 0.000 0.793 99 E CB 3.911 33.638 29.700 0.045 0.000 1.311 99 E HN -0.143 8.431 8.360 0.068 -0.173 0.460 100 Q N -0.172 119.642 119.800 0.024 0.000 2.315 100 Q HA -0.372 nan 4.340 nan 0.000 0.289 100 Q C 0.721 176.734 176.000 0.021 0.000 1.044 100 Q CA 1.292 57.105 55.803 0.016 0.000 0.920 100 Q CB -0.541 28.204 28.738 0.011 0.000 1.214 100 Q HN 0.274 8.557 8.270 0.023 0.000 0.392 101 G N 4.483 113.295 108.800 0.019 0.000 2.194 101 G HA2 -0.475 nan 3.960 nan 0.000 0.236 101 G HA3 -0.475 nan 3.960 nan 0.000 0.236 101 G C -0.528 174.396 174.900 0.039 0.000 0.987 101 G CA -0.231 44.883 45.100 0.024 0.000 0.635 101 G HN 0.977 9.151 8.290 0.015 0.126 0.520 102 D N 1.385 121.812 120.400 0.047 0.000 2.348 102 D HA 0.389 nan 4.640 nan 0.000 0.249 102 D C -2.009 174.347 176.300 0.095 0.000 1.110 102 D CA -0.078 53.962 54.000 0.068 0.000 0.967 102 D CB 1.202 42.040 40.800 0.063 0.000 1.139 102 D HN -0.588 7.739 8.370 0.038 0.065 0.466 103 H N -0.729 118.335 119.070 -0.010 0.000 2.524 103 H HA 0.692 nan 4.556 nan 0.000 0.353 103 H C -1.968 173.341 175.328 -0.032 0.000 1.136 103 H CA -1.014 55.014 56.048 -0.034 0.000 1.193 103 H CB 3.306 33.049 29.762 -0.031 0.000 1.558 103 H HN 0.408 8.776 8.280 0.148 0.000 0.515 104 V N 5.693 125.246 119.914 -0.603 0.000 2.448 104 V HA 0.487 nan 4.120 nan 0.000 0.295 104 V C -2.006 173.637 176.094 -0.752 0.000 1.025 104 V CA -1.156 60.853 62.300 -0.485 0.000 0.859 104 V CB 2.328 33.987 31.823 -0.273 0.000 0.988 104 V HN 1.015 8.860 8.190 -0.575 0.000 0.431 105 L N 8.422 129.387 121.223 -0.430 0.000 2.276 105 L HA 0.876 nan 4.340 nan 0.000 0.286 105 L C -2.618 174.298 176.870 0.075 0.000 1.024 105 L CA -1.048 53.669 54.840 -0.206 0.000 0.826 105 L CB 2.516 44.555 42.059 -0.034 0.000 1.211 105 L HN 0.803 8.888 8.230 -0.241 0.000 0.422 106 M N 7.679 127.273 119.600 -0.010 0.000 2.465 106 M HA 0.613 nan 4.480 nan 0.000 0.316 106 M C -2.038 174.258 176.300 -0.007 0.000 1.121 106 M CA -1.799 53.590 55.300 0.149 0.000 0.934 106 M CB 4.492 37.130 32.600 0.065 0.000 1.692 106 M HN 0.575 8.707 8.290 -0.262 0.000 0.444 107 T N 3.457 117.865 114.554 -0.243 0.000 2.940 107 T HA -0.007 nan 4.350 nan 0.000 0.309 107 T C 1.594 176.232 174.700 -0.104 0.000 1.056 107 T CA 0.726 62.403 62.100 -0.705 0.000 1.137 107 T CB 0.701 69.393 68.868 -0.294 0.000 0.976 107 T HN 0.203 8.511 8.240 0.114 0.000 0.547 108 N N 7.024 125.642 118.700 -0.136 0.000 2.521 108 N HA -0.064 nan 4.740 nan 0.000 0.188 108 N C 0.347 175.802 175.510 -0.091 0.000 1.146 108 N CA 1.362 54.368 53.050 -0.073 0.000 0.893 108 N CB -0.435 38.003 38.487 -0.081 0.000 0.975 108 N HN 0.144 8.349 8.380 -0.293 0.000 0.451 109 T N -6.416 108.113 114.554 -0.042 0.000 3.145 109 T HA 0.254 nan 4.350 nan 0.000 0.255 109 T C -0.452 174.276 174.700 0.048 0.000 1.039 109 T CA -1.856 60.236 62.100 -0.013 0.000 0.928 109 T CB -0.744 68.109 68.868 -0.024 0.000 1.029 109 T HN -0.778 7.345 8.240 -0.055 0.084 0.554 110 A N 2.283 125.158 122.820 0.091 0.000 2.445 110 A HA 0.015 nan 4.320 nan 0.000 0.242 110 A C -1.183 176.506 177.584 0.175 0.000 1.075 110 A CA -0.173 51.987 52.037 0.205 0.000 0.777 110 A CB 0.644 19.799 19.000 0.257 0.000 1.013 110 A HN -0.696 7.412 8.150 0.060 0.078 0.493 111 Y N 3.188 123.560 120.300 0.120 0.000 2.810 111 Y HA -0.253 nan 4.550 nan 0.000 0.332 111 Y C 0.813 176.739 175.900 0.043 0.000 1.243 111 Y CA 0.060 58.216 58.100 0.094 0.000 1.537 111 Y CB 1.358 39.900 38.460 0.136 0.000 1.265 111 Y HN 0.053 8.929 8.280 0.429 -0.339 0.572 112 E N 8.062 128.016 120.200 -0.410 0.000 2.086 112 E HA -0.401 nan 4.350 nan 0.000 0.200 112 E C -0.357 175.999 176.600 -0.407 0.000 1.012 112 E CA 4.893 61.062 56.400 -0.386 0.000 0.812 112 E CB -1.376 28.131 29.700 -0.321 0.000 0.743 112 E HN 0.577 8.746 8.360 -0.319 0.000 0.453 113 P HA -0.147 nan 4.420 nan 0.000 0.220 113 P C 1.788 179.019 177.300 -0.115 0.000 1.148 113 P CA 2.712 65.615 63.100 -0.330 0.000 0.803 113 P CB -0.423 31.072 31.700 -0.342 0.000 0.782 114 S N -1.766 113.880 115.700 -0.091 0.000 2.383 114 S HA -0.294 nan 4.470 nan 0.000 0.227 114 S C 2.117 176.755 174.600 0.064 0.000 1.026 114 S CA 3.998 62.203 58.200 0.008 0.000 0.981 114 S CB -0.310 62.894 63.200 0.007 0.000 0.818 114 S HN 0.024 8.099 8.310 -0.187 0.123 0.472 115 Q N 1.819 121.635 119.800 0.027 0.000 2.016 115 Q HA -0.256 nan 4.340 nan 0.000 0.200 115 Q C 2.251 178.313 176.000 0.103 0.000 0.978 115 Q CA 3.160 59.021 55.803 0.097 0.000 0.833 115 Q CB -0.042 28.583 28.738 -0.188 0.000 0.895 115 Q HN -0.748 7.379 8.270 -0.059 0.108 0.427 116 D N 0.097 120.499 120.400 0.004 0.000 2.182 116 D HA -0.293 nan 4.640 nan 0.000 0.201 116 D C 2.186 178.521 176.300 0.059 0.000 0.986 116 D CA 3.266 57.270 54.000 0.007 0.000 0.847 116 D CB -0.578 40.199 40.800 -0.038 0.000 0.942 116 D HN -0.060 8.273 8.370 -0.061 0.000 0.467 117 F N 0.880 120.809 119.950 -0.035 0.000 2.102 117 F HA -0.348 nan 4.527 nan 0.000 0.298 117 F C 1.297 177.093 175.800 -0.007 0.000 1.105 117 F CA 3.987 61.970 58.000 -0.029 0.000 1.239 117 F CB -0.275 38.694 39.000 -0.051 0.000 0.991 117 F HN -0.275 8.146 8.300 0.213 0.008 0.474 118 C N -1.821 117.333 119.300 -0.244 0.000 2.432 118 C HA -0.328 nan 4.460 nan 0.000 0.277 118 C C 1.949 176.832 174.990 -0.179 0.000 1.249 118 C CA 3.396 62.223 59.018 -0.318 0.000 1.725 118 C CB -1.535 26.169 27.740 -0.060 0.000 2.028 118 C HN -0.384 7.898 8.230 0.087 0.000 0.477 119 S N -2.227 113.472 115.700 -0.003 0.000 2.527 119 S HA -0.194 nan 4.470 nan 0.000 0.222 119 S C 1.533 176.116 174.600 -0.029 0.000 0.985 119 S CA 2.977 61.196 58.200 0.031 0.000 0.921 119 S CB -0.368 62.914 63.200 0.137 0.000 0.772 119 S HN 0.070 8.426 8.310 0.076 0.000 0.529 120 K N 0.426 120.785 120.400 -0.069 0.000 2.387 120 K HA 0.096 nan 4.320 nan 0.000 0.197 120 K C 0.893 177.441 176.600 -0.086 0.000 1.127 120 K CA 1.895 58.149 56.287 -0.055 0.000 0.950 120 K CB 1.215 33.700 32.500 -0.025 0.000 1.017 120 K HN -0.142 8.054 8.250 -0.090 0.000 0.519 121 I N -1.475 118.993 120.570 -0.171 0.000 2.681 121 I HA -0.041 nan 4.170 nan 0.000 0.247 121 I C 1.791 177.758 176.117 -0.250 0.000 1.091 121 I CA 0.792 61.984 61.300 -0.180 0.000 1.442 121 I CB 0.649 38.559 38.000 -0.150 0.000 1.219 121 I HN -0.128 7.832 8.210 -0.240 0.106 0.451 122 L N -0.356 120.594 121.223 -0.455 0.000 2.079 122 L HA -0.430 nan 4.340 nan 0.000 0.210 122 L C 2.112 178.877 176.870 -0.174 0.000 1.081 122 L CA 3.702 58.336 54.840 -0.343 0.000 0.752 122 L CB -0.772 41.030 42.059 -0.429 0.000 0.896 122 L HN -0.110 7.702 8.230 -0.696 0.000 0.433 123 S N -2.168 113.446 115.700 -0.143 0.000 2.383 123 S HA -0.316 nan 4.470 nan 0.000 0.229 123 S C 1.953 176.521 174.600 -0.052 0.000 1.030 123 S CA 2.822 60.976 58.200 -0.075 0.000 1.002 123 S CB -0.407 62.764 63.200 -0.048 0.000 0.829 123 S HN -0.253 7.945 8.310 -0.170 0.011 0.467 124 K N 0.561 120.928 120.400 -0.056 0.000 2.487 124 K HA -0.022 nan 4.320 nan 0.000 0.192 124 K C 0.207 176.790 176.600 -0.028 0.000 1.027 124 K CA 1.683 57.949 56.287 -0.034 0.000 1.054 124 K CB -0.341 32.142 32.500 -0.028 0.000 0.824 124 K HN -0.576 7.613 8.250 -0.075 0.016 0.510 125 L N -2.196 119.004 121.223 -0.038 0.000 2.857 125 L HA 0.232 nan 4.340 nan 0.000 0.249 125 L C -0.140 176.719 176.870 -0.018 0.000 1.172 125 L CA -0.821 54.005 54.840 -0.024 0.000 0.980 125 L CB -0.010 42.034 42.059 -0.025 0.000 1.299 125 L HN -0.567 7.439 8.230 -0.057 0.190 0.535 126 G N -1.786 107.002 108.800 -0.020 0.000 2.160 126 G HA2 -0.314 nan 3.960 nan 0.000 0.244 126 G HA3 -0.314 nan 3.960 nan 0.000 0.244 126 G C -1.150 173.744 174.900 -0.009 0.000 1.022 126 G CA 0.439 45.533 45.100 -0.011 0.000 0.741 126 G HN -0.614 7.589 8.290 -0.025 0.072 0.508 127 V N 0.044 119.943 119.914 -0.026 0.000 2.459 127 V HA 0.606 nan 4.120 nan 0.000 0.295 127 V C -0.504 175.570 176.094 -0.033 0.000 1.029 127 V CA -1.147 61.138 62.300 -0.026 0.000 0.874 127 V CB 1.457 33.250 31.823 -0.050 0.000 0.985 127 V HN -0.686 7.479 8.190 -0.043 0.000 0.438 128 T N 4.601 119.159 114.554 0.006 0.000 2.925 128 T HA 0.439 nan 4.350 nan 0.000 0.285 128 T C -1.068 173.621 174.700 -0.018 0.000 1.021 128 T CA -2.319 59.795 62.100 0.024 0.000 1.042 128 T CB 2.531 71.447 68.868 0.081 0.000 1.037 128 T HN 0.332 8.593 8.240 0.035 0.000 0.481 129 T N 3.526 118.016 114.554 -0.106 0.000 2.886 129 T HA 0.737 nan 4.350 nan 0.000 0.292 129 T C -1.615 172.787 174.700 -0.496 0.000 1.012 129 T CA -0.505 61.359 62.100 -0.393 0.000 0.982 129 T CB 2.479 71.034 68.868 -0.522 0.000 1.018 129 T HN 0.127 8.329 8.240 -0.063 0.000 0.451 130 S N 4.394 119.724 115.700 -0.617 0.000 2.632 130 S HA 0.444 nan 4.470 nan 0.000 0.289 130 S C -2.094 171.975 174.600 -0.886 0.000 1.115 130 S CA -1.883 55.988 58.200 -0.549 0.000 0.889 130 S CB 3.179 66.438 63.200 0.098 0.000 1.116 130 S HN 0.458 8.377 8.310 -0.652 0.000 0.486 131 W N -1.747 119.617 121.300 0.107 0.000 2.850 131 W HA 0.803 nan 4.660 nan 0.000 0.349 131 W C -1.205 175.325 176.519 0.018 0.000 1.133 131 W CA -1.275 56.084 57.345 0.024 0.000 1.117 131 W CB 2.910 32.343 29.460 -0.044 0.000 1.442 131 W HN -0.535 7.841 8.180 0.061 -0.159 0.575 132 F N -4.765 115.225 119.950 0.066 0.000 2.643 132 F HA 0.378 nan 4.527 nan 0.000 0.314 132 F C -2.508 173.301 175.800 0.015 0.000 1.096 132 F CA -2.232 55.661 58.000 -0.177 0.000 0.953 132 F CB 2.556 41.270 39.000 -0.477 0.000 1.345 132 F HN 0.042 8.236 8.300 -0.175 0.000 0.468 133 D N 0.052 120.578 120.400 0.210 0.000 2.345 133 D HA 0.244 nan 4.640 nan 0.000 0.247 133 D C -0.504 175.947 176.300 0.253 0.000 1.108 133 D CA -2.232 51.867 54.000 0.165 0.000 0.894 133 D CB 1.499 42.410 40.800 0.186 0.000 1.203 133 D HN 0.166 8.702 8.370 0.277 0.000 0.430 134 P HA -0.145 nan 4.420 nan 0.000 0.218 134 P C 0.289 177.830 177.300 0.400 0.000 1.148 134 P CA 2.043 65.374 63.100 0.385 0.000 0.822 134 P CB 0.279 32.124 31.700 0.242 0.000 0.784 135 L N -4.762 116.629 121.223 0.279 0.000 2.688 135 L HA 0.008 nan 4.340 nan 0.000 0.234 135 L C 0.616 177.605 176.870 0.198 0.000 1.192 135 L CA -0.225 54.767 54.840 0.254 0.000 0.984 135 L CB -0.689 41.517 42.059 0.246 0.000 1.232 135 L HN -0.556 8.056 8.230 0.233 -0.242 0.465 136 I N -0.646 120.044 120.570 0.201 0.000 2.454 136 I HA -0.277 nan 4.170 nan 0.000 0.254 136 I C 0.408 176.562 176.117 0.063 0.000 1.156 136 I CA 0.511 61.901 61.300 0.151 0.000 1.433 136 I CB 0.837 38.944 38.000 0.178 0.000 1.082 136 I HN -0.306 7.987 8.210 0.268 0.078 0.432 137 G N -2.334 106.472 108.800 0.010 0.000 2.614 137 G HA2 -0.530 nan 3.960 nan 0.000 0.303 137 G HA3 -0.530 nan 3.960 nan 0.000 0.303 137 G C 0.433 175.291 174.900 -0.069 0.000 1.270 137 G CA 1.178 46.242 45.100 -0.060 0.000 0.988 137 G HN -0.630 7.654 8.290 0.031 0.025 0.551 138 A N 2.171 124.965 122.820 -0.043 0.000 2.216 138 A HA -0.104 nan 4.320 nan 0.000 0.214 138 A C 1.455 179.025 177.584 -0.024 0.000 1.160 138 A CA 1.979 53.994 52.037 -0.038 0.000 0.725 138 A CB -0.287 18.703 19.000 -0.018 0.000 0.784 138 A HN 0.479 8.612 8.150 -0.029 0.000 0.472 139 D N -0.809 119.591 120.400 -0.000 0.000 2.363 139 D HA -0.035 nan 4.640 nan 0.000 0.226 139 D C 1.460 177.784 176.300 0.040 0.000 1.020 139 D CA 1.519 55.533 54.000 0.023 0.000 0.892 139 D CB -0.459 40.375 40.800 0.058 0.000 0.900 139 D HN -0.194 8.121 8.370 0.009 0.060 0.531 140 I N 0.639 121.196 120.570 -0.021 0.000 2.700 140 I HA -0.346 nan 4.170 nan 0.000 0.261 140 I C 1.155 177.272 176.117 0.000 0.000 1.219 140 I CA 2.437 63.700 61.300 -0.063 0.000 1.463 140 I CB 0.098 37.879 38.000 -0.366 0.000 1.092 140 I HN -0.512 7.584 8.210 -0.065 0.074 0.452 141 V N -3.739 116.160 119.914 -0.025 0.000 2.568 141 V HA -0.407 nan 4.120 nan 0.000 0.253 141 V C 1.812 177.889 176.094 -0.029 0.000 1.072 141 V CA 2.920 65.204 62.300 -0.026 0.000 1.084 141 V CB -1.365 30.441 31.823 -0.029 0.000 0.676 141 V HN -0.598 7.531 8.190 -0.034 0.040 0.469 142 K N -0.912 119.454 120.400 -0.056 0.000 2.442 142 K HA -0.205 nan 4.320 nan 0.000 0.198 142 K C 1.289 177.730 176.600 -0.265 0.000 1.042 142 K CA 2.330 58.514 56.287 -0.171 0.000 0.958 142 K CB -0.364 31.990 32.500 -0.242 0.000 0.766 142 K HN -0.181 7.920 8.250 -0.026 0.134 0.474 143 H N -4.395 114.665 119.070 -0.017 0.000 2.705 143 H HA 0.109 nan 4.556 nan 0.000 0.269 143 H C -0.886 174.457 175.328 0.025 0.000 0.998 143 H CA -0.023 56.035 56.048 0.017 0.000 1.193 143 H CB 1.013 30.807 29.762 0.053 0.000 1.485 143 H HN -0.280 7.882 8.280 0.101 0.179 0.521 144 L N 0.398 121.676 121.223 0.093 0.000 2.416 144 L HA -0.188 nan 4.340 nan 0.000 0.272 144 L C -0.098 176.785 176.870 0.022 0.000 1.161 144 L CA 0.745 55.625 54.840 0.067 0.000 0.845 144 L CB 0.315 42.386 42.059 0.021 0.000 1.119 144 L HN -0.701 7.449 8.230 0.053 0.112 0.464 145 Q N 3.075 122.890 119.800 0.025 0.000 2.445 145 Q HA 0.403 nan 4.340 nan 0.000 0.281 145 Q C -1.324 174.676 176.000 -0.000 0.000 1.101 145 Q CA -2.976 52.802 55.803 -0.042 0.000 0.833 145 Q CB 0.828 29.462 28.738 -0.174 0.000 1.416 145 Q HN 0.183 8.513 8.270 0.100 0.000 0.451 146 P HA -0.049 nan 4.420 nan 0.000 0.221 146 P C -0.857 176.455 177.300 0.020 0.000 1.150 146 P CA 1.814 64.915 63.100 0.002 0.000 0.800 146 P CB 0.063 31.758 31.700 -0.008 0.000 0.787 147 N N -5.720 112.995 118.700 0.025 0.000 2.268 147 N HA 0.010 nan 4.740 nan 0.000 0.204 147 N C -0.979 174.597 175.510 0.110 0.000 1.124 147 N CA -0.661 52.421 53.050 0.053 0.000 0.838 147 N CB -1.176 37.335 38.487 0.041 0.000 0.994 147 N HN 0.050 8.407 8.380 0.001 0.024 0.489 148 T N 3.136 117.774 114.554 0.138 0.000 2.784 148 T HA -0.042 nan 4.350 nan 0.000 0.291 148 T C -0.362 174.386 174.700 0.080 0.000 0.942 148 T CA 2.017 64.227 62.100 0.184 0.000 1.161 148 T CB -0.119 68.872 68.868 0.205 0.000 0.885 148 T HN -0.652 7.482 8.240 0.101 0.167 0.534 149 K N 8.373 128.807 120.400 0.056 0.000 2.244 149 K HA 0.151 nan 4.320 nan 0.000 0.200 149 K C -1.232 175.381 176.600 0.023 0.000 1.052 149 K CA 0.358 56.673 56.287 0.047 0.000 0.980 149 K CB 2.013 34.557 32.500 0.074 0.000 0.838 149 K HN 0.813 8.984 8.250 0.045 0.106 0.481 150 I N -2.697 117.879 120.570 0.011 0.000 2.545 150 I HA 0.442 nan 4.170 nan 0.000 0.292 150 I C -2.064 174.071 176.117 0.031 0.000 1.040 150 I CA -1.067 60.248 61.300 0.025 0.000 1.068 150 I CB 3.958 42.008 38.000 0.084 0.000 1.251 150 I HN -0.773 7.428 8.210 -0.015 0.000 0.424 151 V N 6.010 125.959 119.914 0.058 0.000 2.378 151 V HA 0.611 nan 4.120 nan 0.000 0.288 151 V C -1.848 174.362 176.094 0.193 0.000 1.016 151 V CA -1.449 60.909 62.300 0.098 0.000 0.840 151 V CB 0.883 32.716 31.823 0.016 0.000 0.994 151 V HN 0.325 8.537 8.190 0.037 0.000 0.431 152 F N 9.171 129.201 119.950 0.133 0.000 2.388 152 F HA 0.754 nan 4.527 nan 0.000 0.358 152 F C -2.338 173.598 175.800 0.227 0.000 1.122 152 F CA -1.852 56.240 58.000 0.153 0.000 1.056 152 F CB 2.437 41.514 39.000 0.128 0.000 1.155 152 F HN 0.839 9.277 8.300 0.407 0.106 0.461 153 L N 5.812 126.983 121.223 -0.086 0.000 2.352 153 L HA 0.699 nan 4.340 nan 0.000 0.269 153 L C -1.862 175.013 176.870 0.010 0.000 1.034 153 L CA -1.252 53.681 54.840 0.155 0.000 0.806 153 L CB 2.135 44.300 42.059 0.177 0.000 1.244 153 L HN 1.057 8.957 8.230 -0.370 0.108 0.447 154 E N 0.767 121.076 120.200 0.183 0.000 2.448 154 E HA 0.199 nan 4.350 nan 0.000 0.288 154 E C -2.105 174.365 176.600 -0.216 0.000 0.936 154 E CA -0.140 56.278 56.400 0.030 0.000 0.809 154 E CB 2.166 31.968 29.700 0.171 0.000 1.408 154 E HN -0.180 8.446 8.360 0.443 0.000 0.393 155 S N 5.423 120.985 115.700 -0.229 0.000 2.605 155 S HA 0.416 nan 4.470 nan 0.000 0.308 155 S C -2.360 172.138 174.600 -0.170 0.000 1.113 155 S CA -3.053 54.933 58.200 -0.356 0.000 1.049 155 S CB 1.740 64.709 63.200 -0.385 0.000 1.001 155 S HN -0.042 8.206 8.310 -0.104 0.000 0.480 156 P HA 0.106 nan 4.420 nan 0.000 0.272 156 P C -1.088 176.001 177.300 -0.353 0.000 1.230 156 P CA -0.559 62.214 63.100 -0.546 0.000 0.788 156 P CB 0.809 31.905 31.700 -1.007 0.000 0.949 157 G N -0.994 107.625 108.800 -0.302 0.000 2.606 157 G HA2 0.106 nan 3.960 nan 0.000 0.252 157 G HA3 0.106 nan 3.960 nan 0.000 0.252 157 G C -0.550 174.284 174.900 -0.111 0.000 1.206 157 G CA -0.755 44.247 45.100 -0.162 0.000 0.861 157 G HN -0.159 8.006 8.290 -0.327 -0.072 0.561 158 S N 2.507 118.208 115.700 0.002 0.000 2.549 158 S HA 0.005 nan 4.470 nan 0.000 0.283 158 S C 0.850 175.447 174.600 -0.006 0.000 1.320 158 S CA 2.053 60.284 58.200 0.051 0.000 1.058 158 S CB 0.387 63.709 63.200 0.203 0.000 0.882 158 S HN -0.223 8.112 8.310 0.041 0.000 0.498 159 I N 0.111 120.652 120.570 -0.048 0.000 4.497 159 I HA -0.609 nan 4.170 nan 0.000 0.059 159 I C 0.334 176.372 176.117 -0.131 0.000 0.607 159 I CA 2.791 64.043 61.300 -0.081 0.000 0.958 159 I CB -1.252 36.737 38.000 -0.018 0.000 0.864 159 I HN 0.659 8.830 8.210 -0.065 0.000 0.166 160 T N -6.093 108.397 114.554 -0.107 0.000 3.081 160 T HA 0.011 nan 4.350 nan 0.000 0.255 160 T C 0.803 175.416 174.700 -0.146 0.000 1.113 160 T CA 0.225 62.251 62.100 -0.124 0.000 1.082 160 T CB 0.678 69.517 68.868 -0.049 0.000 0.939 160 T HN 0.060 8.193 8.240 -0.068 0.067 0.506 161 M N -3.978 115.506 119.600 -0.193 0.000 2.818 161 M HA -0.418 nan 4.480 nan 0.000 0.194 161 M C -0.736 175.394 176.300 -0.284 0.000 0.586 161 M CA 0.031 55.156 55.300 -0.293 0.000 0.664 161 M CB -2.680 29.738 32.600 -0.302 0.000 2.418 161 M HN -0.537 7.602 8.290 -0.179 0.044 0.517 162 E N -1.620 118.466 120.200 -0.191 0.000 2.384 162 E HA -0.039 nan 4.350 nan 0.000 0.266 162 E C -0.286 176.198 176.600 -0.194 0.000 1.012 162 E CA 0.591 56.912 56.400 -0.132 0.000 0.901 162 E CB 0.541 30.218 29.700 -0.038 0.000 0.967 162 E HN -0.256 7.962 8.360 -0.161 0.046 0.435 163 V N 4.440 124.295 119.914 -0.097 0.000 2.427 163 V HA 0.153 nan 4.120 nan 0.000 0.286 163 V C -0.324 175.868 176.094 0.163 0.000 1.034 163 V CA -1.242 61.019 62.300 -0.064 0.000 0.893 163 V CB 0.424 32.246 31.823 -0.002 0.000 0.982 163 V HN -0.226 7.945 8.190 -0.030 0.000 0.452 164 H N 5.727 124.829 119.070 0.053 0.000 2.607 164 H HA 0.148 nan 4.556 nan 0.000 0.367 164 H C -0.140 175.083 175.328 -0.176 0.000 1.181 164 H CA -1.138 54.908 56.048 -0.004 0.000 1.402 164 H CB 1.235 30.975 29.762 -0.036 0.000 1.474 164 H HN 0.358 8.542 8.280 -0.160 0.000 0.596 165 D N 2.418 122.612 120.400 -0.342 0.000 2.639 165 D HA 0.046 nan 4.640 nan 0.000 0.233 165 D C 0.512 176.635 176.300 -0.296 0.000 1.161 165 D CA -1.888 51.608 54.000 -0.839 0.000 1.003 165 D CB -0.950 39.065 40.800 -1.309 0.000 1.034 165 D HN 0.380 8.633 8.370 -0.194 0.000 0.514 166 V N 3.716 123.555 119.914 -0.125 0.000 2.317 166 V HA -0.354 nan 4.120 nan 0.000 0.251 166 V C -0.591 175.526 176.094 0.037 0.000 1.065 166 V CA 5.837 68.120 62.300 -0.029 0.000 1.049 166 V CB -2.365 29.449 31.823 -0.015 0.000 0.651 166 V HN -0.434 7.642 8.190 -0.115 0.045 0.450 167 P HA -0.204 nan 4.420 nan 0.000 0.216 167 P C 1.033 178.357 177.300 0.040 0.000 1.150 167 P CA 3.312 66.506 63.100 0.157 0.000 0.837 167 P CB -0.768 31.050 31.700 0.197 0.000 0.786 168 A N -2.452 120.347 122.820 -0.034 0.000 1.898 168 A HA -0.182 nan 4.320 nan 0.000 0.216 168 A C 2.208 179.752 177.584 -0.067 0.000 1.181 168 A CA 2.915 54.918 52.037 -0.056 0.000 0.620 168 A CB -0.706 18.232 19.000 -0.103 0.000 0.819 168 A HN -0.536 7.713 8.150 -0.079 -0.146 0.442 169 I N -1.194 119.319 120.570 -0.096 0.000 2.179 169 I HA -0.542 nan 4.170 nan 0.000 0.242 169 I C 1.760 177.825 176.117 -0.086 0.000 1.088 169 I CA 4.408 65.631 61.300 -0.128 0.000 1.357 169 I CB -0.118 37.771 38.000 -0.185 0.000 1.051 169 I HN -0.429 7.716 8.210 -0.108 0.000 0.409 170 V N -0.534 119.360 119.914 -0.033 0.000 2.295 170 V HA -0.511 nan 4.120 nan 0.000 0.246 170 V C 1.780 177.868 176.094 -0.011 0.000 1.049 170 V CA 4.800 67.097 62.300 -0.005 0.000 1.024 170 V CB -1.170 30.684 31.823 0.053 0.000 0.648 170 V HN 0.194 8.376 8.190 -0.013 0.000 0.447 171 A N -1.763 121.054 122.820 -0.005 0.000 1.877 171 A HA -0.371 nan 4.320 nan 0.000 0.216 171 A C 1.730 179.301 177.584 -0.021 0.000 1.186 171 A CA 3.341 55.373 52.037 -0.008 0.000 0.620 171 A CB -0.851 18.148 19.000 -0.002 0.000 0.822 171 A HN -0.394 7.759 8.150 0.005 0.000 0.443 172 A N -1.970 120.829 122.820 -0.035 0.000 1.883 172 A HA -0.311 nan 4.320 nan 0.000 0.217 172 A C 2.413 179.969 177.584 -0.046 0.000 1.186 172 A CA 3.164 55.175 52.037 -0.043 0.000 0.624 172 A CB -0.633 18.331 19.000 -0.061 0.000 0.822 172 A HN -0.291 7.835 8.150 -0.040 0.000 0.444 173 V N -0.412 119.467 119.914 -0.058 0.000 2.343 173 V HA -0.431 nan 4.120 nan 0.000 0.247 173 V C 2.353 178.428 176.094 -0.031 0.000 1.051 173 V CA 4.345 66.614 62.300 -0.053 0.000 1.036 173 V CB -1.084 30.699 31.823 -0.067 0.000 0.654 173 V HN 0.226 8.375 8.190 -0.068 0.000 0.451 174 R N -1.202 119.283 120.500 -0.024 0.000 2.189 174 R HA -0.170 nan 4.340 nan 0.000 0.223 174 R C 2.422 178.715 176.300 -0.013 0.000 1.092 174 R CA 1.779 57.870 56.100 -0.015 0.000 0.989 174 R CB -1.072 29.221 30.300 -0.011 0.000 0.876 174 R HN 0.331 8.586 8.270 -0.026 0.000 0.457 175 S N -1.821 113.870 115.700 -0.015 0.000 2.414 175 S HA -0.084 nan 4.470 nan 0.000 0.227 175 S C 1.058 175.651 174.600 -0.011 0.000 1.022 175 S CA 2.672 60.865 58.200 -0.012 0.000 0.958 175 S CB 0.342 63.534 63.200 -0.013 0.000 0.797 175 S HN -0.241 7.931 8.310 -0.019 0.126 0.493 176 V N 0.743 120.649 119.914 -0.014 0.000 2.490 176 V HA 0.091 nan 4.120 nan 0.000 0.238 176 V C 0.338 176.428 176.094 -0.007 0.000 1.056 176 V CA 1.877 64.170 62.300 -0.011 0.000 1.075 176 V CB 1.532 33.346 31.823 -0.015 0.000 0.746 176 V HN -0.857 7.206 8.190 -0.018 0.116 0.479 177 V N -0.912 118.998 119.914 -0.007 0.000 2.266 177 V HA 0.563 nan 4.120 nan 0.000 0.266 177 V C -1.667 174.424 176.094 -0.004 0.000 1.036 177 V CA -3.177 59.122 62.300 -0.001 0.000 0.828 177 V CB -1.567 30.258 31.823 0.004 0.000 1.081 177 V HN 0.129 8.311 8.190 -0.013 0.000 0.449 178 P HA -0.223 nan 4.420 nan 0.000 0.216 178 P C -0.474 176.824 177.300 -0.003 0.000 1.150 178 P CA 2.367 65.465 63.100 -0.003 0.000 0.843 178 P CB 0.207 31.907 31.700 -0.000 0.000 0.787 179 D N -4.073 116.328 120.400 0.002 0.000 2.352 179 D HA -0.072 nan 4.640 nan 0.000 0.236 179 D C -0.465 175.832 176.300 -0.004 0.000 1.148 179 D CA -1.358 52.645 54.000 0.004 0.000 0.844 179 D CB -1.219 39.591 40.800 0.016 0.000 0.933 179 D HN 0.071 8.422 8.370 0.005 0.022 0.507 180 A N 0.168 122.981 122.820 -0.012 0.000 2.366 180 A HA 0.239 nan 4.320 nan 0.000 0.249 180 A C -1.269 176.280 177.584 -0.058 0.000 1.084 180 A CA 0.039 52.063 52.037 -0.022 0.000 0.794 180 A CB 1.130 20.119 19.000 -0.017 0.000 1.034 180 A HN -0.290 7.774 8.150 -0.011 0.080 0.491 181 I N 1.003 121.515 120.570 -0.097 0.000 2.306 181 I HA 0.289 nan 4.170 nan 0.000 0.288 181 I C -1.128 174.918 176.117 -0.119 0.000 1.036 181 I CA -0.526 60.657 61.300 -0.194 0.000 1.221 181 I CB 0.558 38.284 38.000 -0.457 0.000 1.385 181 I HN 0.166 8.333 8.210 -0.071 0.000 0.472 182 I N 8.433 128.954 120.570 -0.082 0.000 2.371 182 I HA 0.308 nan 4.170 nan 0.000 0.290 182 I C -1.142 174.944 176.117 -0.051 0.000 1.028 182 I CA -0.051 61.224 61.300 -0.041 0.000 1.345 182 I CB 0.586 38.573 38.000 -0.022 0.000 1.407 182 I HN 0.654 9.159 8.210 -0.081 -0.344 0.501 183 M N 6.428 125.994 119.600 -0.058 0.000 2.602 183 M HA 0.835 nan 4.480 nan 0.000 0.312 183 M C -2.044 174.065 176.300 -0.318 0.000 1.181 183 M CA -1.084 54.143 55.300 -0.122 0.000 0.910 183 M CB 4.576 37.158 32.600 -0.030 0.000 1.723 183 M HN 0.663 8.933 8.290 -0.033 0.000 0.459 184 I N 0.108 120.505 120.570 -0.288 0.000 2.619 184 I HA 0.494 nan 4.170 nan 0.000 0.292 184 I C -3.001 172.971 176.117 -0.240 0.000 1.100 184 I CA -1.795 59.315 61.300 -0.317 0.000 1.043 184 I CB 4.068 42.041 38.000 -0.044 0.000 1.239 184 I HN 0.440 8.558 8.210 -0.155 0.000 0.420 185 D N 8.709 128.960 120.400 -0.248 0.000 2.393 185 D HA 0.116 nan 4.640 nan 0.000 0.232 185 D C -1.256 175.107 176.300 0.105 0.000 1.192 185 D CA -0.616 53.399 54.000 0.026 0.000 0.882 185 D CB -0.137 40.781 40.800 0.196 0.000 1.038 185 D HN 0.211 8.347 8.370 -0.389 0.000 0.499 186 N N 6.411 125.197 118.700 0.143 0.000 2.378 186 N HA 0.192 nan 4.740 nan 0.000 0.243 186 N C 0.726 176.405 175.510 0.282 0.000 1.137 186 N CA -0.488 52.696 53.050 0.224 0.000 0.862 186 N CB 0.599 39.217 38.487 0.218 0.000 1.116 186 N HN 0.531 8.884 8.380 0.117 0.097 0.499 187 T N 1.626 116.356 114.554 0.292 0.000 2.708 187 T HA -0.235 nan 4.350 nan 0.000 0.266 187 T C 1.505 176.531 174.700 0.544 0.000 1.037 187 T CA 5.124 67.414 62.100 0.316 0.000 1.146 187 T CB -0.412 68.581 68.868 0.209 0.000 0.865 187 T HN -0.376 8.160 8.240 0.260 -0.140 0.435 188 W N 2.055 123.639 121.300 0.474 0.000 2.342 188 W HA -0.329 nan 4.660 nan 0.000 0.297 188 W C -0.391 176.369 176.519 0.401 0.000 1.213 188 W CA 3.615 61.255 57.345 0.492 0.000 1.251 188 W CB -0.315 29.287 29.460 0.237 0.000 1.136 188 W HN -0.102 8.514 8.180 0.727 0.000 0.526 189 A N -5.753 117.467 122.820 0.667 0.000 2.251 189 A HA 0.064 nan 4.320 nan 0.000 0.209 189 A C -1.133 176.603 177.584 0.253 0.000 1.187 189 A CA -0.046 52.286 52.037 0.491 0.000 0.823 189 A CB -0.044 19.340 19.000 0.640 0.000 0.846 189 A HN -0.011 8.570 8.150 0.719 0.000 0.486 190 A N -3.971 119.004 122.820 0.260 0.000 2.826 190 A HA -0.369 nan 4.320 nan 0.000 0.274 190 A C 0.861 178.535 177.584 0.150 0.000 1.443 190 A CA 0.724 52.876 52.037 0.192 0.000 0.833 190 A CB -2.134 16.946 19.000 0.133 0.000 1.023 190 A HN -0.281 7.870 8.150 0.348 0.207 0.600 191 G N -4.994 103.910 108.800 0.173 0.000 2.270 191 G HA2 -0.441 nan 3.960 nan 0.000 0.268 191 G HA3 -0.441 nan 3.960 nan 0.000 0.268 191 G C 0.398 175.348 174.900 0.084 0.000 0.982 191 G CA 0.981 46.155 45.100 0.124 0.000 0.628 191 G HN -0.109 8.291 8.290 0.228 0.027 0.544 192 V N -6.658 113.313 119.914 0.094 0.000 3.523 192 V HA 0.339 nan 4.120 nan 0.000 0.255 192 V C 0.552 176.698 176.094 0.087 0.000 1.226 192 V CA 0.083 62.423 62.300 0.066 0.000 1.092 192 V CB 0.137 31.994 31.823 0.056 0.000 0.817 192 V HN -0.592 7.559 8.190 0.116 0.108 0.458 193 L N -2.003 119.314 121.223 0.156 0.000 2.554 193 L HA 0.066 nan 4.340 nan 0.000 0.226 193 L C -0.629 176.355 176.870 0.190 0.000 1.137 193 L CA 1.468 56.454 54.840 0.243 0.000 0.863 193 L CB 0.688 42.981 42.059 0.390 0.000 0.985 193 L HN -0.417 7.919 8.230 0.176 0.000 0.451 194 F N -1.372 118.492 119.950 -0.144 0.000 2.915 194 F HA 0.112 nan 4.527 nan 0.000 0.350 194 F C -2.160 173.533 175.800 -0.178 0.000 1.248 194 F CA -1.180 56.557 58.000 -0.439 0.000 1.084 194 F CB 2.367 40.763 39.000 -1.007 0.000 1.391 194 F HN -0.820 7.489 8.300 0.112 0.057 0.548 195 K N 8.442 128.501 120.400 -0.568 0.000 2.127 195 K HA 0.082 nan 4.320 nan 0.000 0.261 195 K C 0.291 176.574 176.600 -0.529 0.000 1.129 195 K CA -1.521 54.539 56.287 -0.378 0.000 0.993 195 K CB -2.255 30.145 32.500 -0.167 0.000 1.410 195 K HN 0.596 8.588 8.250 -0.429 0.000 0.380 196 A N 4.964 127.449 122.820 -0.558 0.000 1.903 196 A HA -0.303 nan 4.320 nan 0.000 0.219 196 A C 1.159 178.708 177.584 -0.059 0.000 1.191 196 A CA 3.226 55.081 52.037 -0.304 0.000 0.638 196 A CB -0.504 18.501 19.000 0.007 0.000 0.823 196 A HN -0.006 7.867 8.150 -0.409 0.032 0.451 197 L N -4.965 116.228 121.223 -0.051 0.000 2.362 197 L HA -0.245 nan 4.340 nan 0.000 0.219 197 L C 2.248 179.097 176.870 -0.034 0.000 1.134 197 L CA 2.285 57.111 54.840 -0.022 0.000 0.807 197 L CB -0.700 41.342 42.059 -0.029 0.000 0.927 197 L HN 0.059 8.248 8.230 -0.069 0.000 0.447 198 D N -0.167 120.198 120.400 -0.058 0.000 2.323 198 D HA -0.080 nan 4.640 nan 0.000 0.209 198 D C 0.878 177.031 176.300 -0.246 0.000 0.973 198 D CA 2.557 56.462 54.000 -0.158 0.000 0.874 198 D CB 0.023 40.682 40.800 -0.235 0.000 0.930 198 D HN -0.345 7.840 8.370 -0.054 0.153 0.521 199 F N -1.697 118.156 119.950 -0.162 0.000 2.660 199 F HA 0.161 nan 4.527 nan 0.000 0.302 199 F C 0.568 176.341 175.800 -0.046 0.000 1.103 199 F CA -0.084 57.861 58.000 -0.092 0.000 1.340 199 F CB -0.014 38.946 39.000 -0.066 0.000 1.048 199 F HN -0.455 7.810 8.300 0.216 0.165 0.551 200 G N -0.966 107.878 108.800 0.072 0.000 2.143 200 G HA2 -0.478 nan 3.960 nan 0.000 0.249 200 G HA3 -0.478 nan 3.960 nan 0.000 0.249 200 G C -1.114 173.815 174.900 0.048 0.000 0.981 200 G CA 0.250 45.375 45.100 0.042 0.000 0.665 200 G HN -0.640 7.588 8.290 0.026 0.077 0.528 201 I N -0.633 119.977 120.570 0.067 0.000 2.581 201 I HA -0.123 nan 4.170 nan 0.000 0.288 201 I C -0.280 175.847 176.117 0.017 0.000 1.047 201 I CA 0.905 62.231 61.300 0.044 0.000 1.374 201 I CB 0.590 38.630 38.000 0.067 0.000 1.423 201 I HN -0.675 7.552 8.210 0.091 0.037 0.549 202 D N 5.661 126.058 120.400 -0.006 0.000 2.162 202 D HA 0.068 nan 4.640 nan 0.000 0.205 202 D C -0.855 175.456 176.300 0.019 0.000 0.964 202 D CA 3.084 57.077 54.000 -0.011 0.000 0.847 202 D CB 1.381 42.138 40.800 -0.071 0.000 0.988 202 D HN 0.058 8.418 8.370 -0.018 0.000 0.480 203 V N -2.705 117.221 119.914 0.020 0.000 2.577 203 V HA 0.440 nan 4.120 nan 0.000 0.303 203 V C -2.265 173.862 176.094 0.055 0.000 1.042 203 V CA -1.438 60.904 62.300 0.070 0.000 0.872 203 V CB 2.582 34.477 31.823 0.120 0.000 0.998 203 V HN -0.704 7.482 8.190 -0.006 0.000 0.423 204 S N 4.891 120.635 115.700 0.073 0.000 2.448 204 S HA 0.783 nan 4.470 nan 0.000 0.320 204 S C -0.904 173.755 174.600 0.098 0.000 1.071 204 S CA -2.109 56.133 58.200 0.071 0.000 1.113 204 S CB 0.798 64.037 63.200 0.065 0.000 0.972 204 S HN 0.551 8.911 8.310 0.083 0.000 0.465 205 I N 7.686 128.310 120.570 0.089 0.000 2.437 205 I HA 0.448 nan 4.170 nan 0.000 0.298 205 I C -1.858 174.325 176.117 0.111 0.000 0.984 205 I CA -0.515 60.852 61.300 0.112 0.000 1.214 205 I CB 1.838 39.909 38.000 0.118 0.000 1.365 205 I HN 1.005 9.248 8.210 0.054 0.000 0.469 206 Q N 3.846 123.709 119.800 0.106 0.000 2.345 206 Q HA 0.519 nan 4.340 nan 0.000 0.275 206 Q C -1.908 174.115 176.000 0.038 0.000 1.063 206 Q CA -1.627 54.226 55.803 0.084 0.000 0.819 206 Q CB 5.158 33.949 28.738 0.089 0.000 1.356 206 Q HN 0.170 8.510 8.270 0.117 0.000 0.418 207 A N 2.409 125.212 122.820 -0.029 0.000 2.798 207 A HA 0.466 nan 4.320 nan 0.000 0.316 207 A C -0.216 177.293 177.584 -0.124 0.000 1.506 207 A CA -1.418 50.556 52.037 -0.105 0.000 1.162 207 A CB -0.259 18.604 19.000 -0.229 0.000 1.138 207 A HN 0.836 8.970 8.150 -0.026 0.000 0.532 208 A N 6.023 128.815 122.820 -0.047 0.000 2.186 208 A HA -0.308 nan 4.320 nan 0.000 0.219 208 A C 1.166 178.690 177.584 -0.099 0.000 1.159 208 A CA 2.727 54.742 52.037 -0.038 0.000 0.680 208 A CB -0.535 18.473 19.000 0.013 0.000 0.787 208 A HN 0.262 8.398 8.150 -0.003 0.013 0.467 209 T N 0.651 115.115 114.554 -0.149 0.000 2.737 209 T HA -0.434 nan 4.350 nan 0.000 0.269 209 T C 1.361 175.871 174.700 -0.316 0.000 1.040 209 T CA 4.254 66.234 62.100 -0.199 0.000 1.142 209 T CB -0.712 68.019 68.868 -0.229 0.000 0.861 209 T HN -0.440 7.664 8.240 -0.130 0.058 0.456 210 K N -0.217 119.908 120.400 -0.459 0.000 2.260 210 K HA -0.082 nan 4.320 nan 0.000 0.191 210 K C 2.010 178.318 176.600 -0.487 0.000 1.076 210 K CA 1.392 57.256 56.287 -0.704 0.000 1.077 210 K CB -0.289 31.518 32.500 -1.155 0.000 1.423 210 K HN -0.285 7.583 8.250 -0.412 0.135 0.462 211 Y N -0.492 119.682 120.300 -0.209 0.000 2.293 211 Y HA -0.198 nan 4.550 nan 0.000 0.291 211 Y C 2.739 178.616 175.900 -0.038 0.000 1.137 211 Y CA 3.846 61.889 58.100 -0.094 0.000 1.202 211 Y CB -0.518 37.916 38.460 -0.044 0.000 0.990 211 Y HN 0.075 8.186 8.280 -0.282 0.000 0.537 212 L N -1.863 119.418 121.223 0.096 0.000 2.017 212 L HA -0.407 nan 4.340 nan 0.000 0.208 212 L C 1.778 178.689 176.870 0.068 0.000 1.073 212 L CA 2.763 57.650 54.840 0.078 0.000 0.745 212 L CB -0.445 41.644 42.059 0.049 0.000 0.894 212 L HN -0.473 7.788 8.230 0.052 0.000 0.432 213 V N -4.743 115.189 119.914 0.031 0.000 2.379 213 V HA -0.213 nan 4.120 nan 0.000 0.245 213 V C 1.394 177.590 176.094 0.170 0.000 1.044 213 V CA 2.522 64.864 62.300 0.070 0.000 1.036 213 V CB 0.158 31.989 31.823 0.015 0.000 0.664 213 V HN -0.040 8.139 8.190 -0.018 0.000 0.453 214 G N -2.210 106.615 108.800 0.042 0.000 2.196 214 G HA2 -0.454 nan 3.960 nan 0.000 0.268 214 G HA3 -0.454 nan 3.960 nan 0.000 0.268 214 G C -0.933 173.840 174.900 -0.212 0.000 0.975 214 G CA 1.993 47.068 45.100 -0.042 0.000 0.648 214 G HN 0.274 8.540 8.290 -0.039 0.000 0.538 215 H N -2.342 116.744 119.070 0.027 0.000 3.078 215 H HA 0.254 nan 4.556 nan 0.000 0.263 215 H C -0.897 174.375 175.328 -0.093 0.000 1.177 215 H CA -2.367 53.726 56.048 0.076 0.000 1.128 215 H CB 1.116 31.012 29.762 0.222 0.000 1.623 215 H HN -0.240 8.074 8.280 0.171 0.069 0.592 216 S N -2.005 113.644 115.700 -0.085 0.000 3.561 216 S HA -0.339 nan 4.470 nan 0.000 0.318 216 S C -0.682 173.884 174.600 -0.056 0.000 1.181 216 S CA 1.961 60.078 58.200 -0.138 0.000 0.916 216 S CB -1.047 62.018 63.200 -0.226 0.000 0.966 216 S HN 0.468 8.709 8.310 -0.114 0.000 0.550 217 D N -3.175 117.225 120.400 0.000 0.000 2.563 217 D HA 0.021 nan 4.640 nan 0.000 0.237 217 D C -1.812 174.489 176.300 0.001 0.000 1.282 217 D CA -0.929 53.077 54.000 0.011 0.000 0.816 217 D CB 0.428 41.256 40.800 0.046 0.000 1.066 217 D HN 0.164 8.520 8.370 0.025 0.029 0.501 218 A N -0.735 122.076 122.820 -0.014 0.000 2.589 218 A HA 0.282 nan 4.320 nan 0.000 0.296 218 A C -1.737 175.827 177.584 -0.034 0.000 1.062 218 A CA -0.218 51.811 52.037 -0.013 0.000 0.686 218 A CB 2.604 21.605 19.000 0.002 0.000 1.282 218 A HN -0.402 7.729 8.150 -0.032 0.000 0.404 219 M N 1.339 120.924 119.600 -0.024 0.000 2.393 219 M HA 0.460 nan 4.480 nan 0.000 0.316 219 M C -1.295 175.004 176.300 -0.003 0.000 1.087 219 M CA -0.322 54.959 55.300 -0.032 0.000 0.937 219 M CB 3.251 35.834 32.600 -0.030 0.000 1.668 219 M HN 0.157 8.441 8.290 -0.011 0.000 0.438 220 I N -0.130 120.440 120.570 0.000 0.000 2.842 220 I HA 0.381 nan 4.170 nan 0.000 0.296 220 I C -2.834 173.321 176.117 0.063 0.000 1.538 220 I CA -0.515 60.813 61.300 0.046 0.000 0.994 220 I CB 4.693 42.718 38.000 0.042 0.000 1.372 220 I HN 0.322 8.515 8.210 -0.028 0.000 0.478 221 G N 2.468 111.359 108.800 0.152 0.000 2.482 221 G HA2 0.687 nan 3.960 nan 0.000 0.317 221 G HA3 0.687 nan 3.960 nan 0.000 0.317 221 G C -2.626 172.462 174.900 0.314 0.000 1.241 221 G CA -1.183 44.030 45.100 0.188 0.000 0.967 221 G HN 0.099 8.411 8.290 0.201 0.098 0.482 222 T N -3.149 111.559 114.554 0.258 0.000 2.916 222 T HA 0.935 nan 4.350 nan 0.000 0.292 222 T C -1.970 172.914 174.700 0.307 0.000 1.055 222 T CA -2.510 59.756 62.100 0.277 0.000 1.009 222 T CB 3.226 72.187 68.868 0.156 0.000 1.118 222 T HN 0.419 8.767 8.240 0.179 0.000 0.497 223 A N 0.841 123.864 122.820 0.338 0.000 2.499 223 A HA 0.625 nan 4.320 nan 0.000 0.280 223 A C -2.228 175.494 177.584 0.230 0.000 1.135 223 A CA -0.388 51.836 52.037 0.312 0.000 0.744 223 A CB 1.736 21.020 19.000 0.472 0.000 1.213 223 A HN 0.381 8.716 8.150 0.308 0.000 0.434 224 V N 4.202 124.205 119.914 0.148 0.000 2.407 224 V HA 0.544 nan 4.120 nan 0.000 0.278 224 V C -1.168 174.978 176.094 0.087 0.000 1.037 224 V CA -0.459 61.888 62.300 0.078 0.000 0.900 224 V CB 0.868 32.712 31.823 0.034 0.000 0.983 224 V HN 0.363 8.636 8.190 0.138 0.000 0.459 225 C N 7.045 126.388 119.300 0.072 0.000 2.562 225 C HA 0.791 nan 4.460 nan 0.000 0.332 225 C C -0.892 174.125 174.990 0.046 0.000 1.201 225 C CA -2.061 57.028 59.018 0.117 0.000 1.803 225 C CB 3.069 30.975 27.740 0.277 0.000 2.328 225 C HN 0.922 9.155 8.230 0.005 0.000 0.500 226 N N 1.283 120.025 118.700 0.071 0.000 2.364 226 N HA 0.016 nan 4.740 nan 0.000 0.264 226 N C 0.849 176.419 175.510 0.101 0.000 1.263 226 N CA -0.862 52.214 53.050 0.044 0.000 0.959 226 N CB 0.366 38.874 38.487 0.035 0.000 1.204 226 N HN -0.030 8.403 8.380 0.089 0.000 0.550 227 A N 0.221 123.090 122.820 0.083 0.000 1.972 227 A HA -0.303 nan 4.320 nan 0.000 0.219 227 A C 1.500 179.190 177.584 0.176 0.000 1.169 227 A CA 2.767 54.888 52.037 0.141 0.000 0.635 227 A CB -0.593 18.462 19.000 0.090 0.000 0.810 227 A HN 0.473 8.649 8.150 0.042 0.000 0.446 228 R N -3.127 117.450 120.500 0.128 0.000 2.081 228 R HA -0.162 nan 4.340 nan 0.000 0.235 228 R C 0.979 177.386 176.300 0.178 0.000 1.131 228 R CA 2.361 58.535 56.100 0.122 0.000 0.960 228 R CB -0.245 30.101 30.300 0.077 0.000 0.856 228 R HN -0.198 8.151 8.270 0.098 -0.020 0.436 229 C N -2.180 117.251 119.300 0.219 0.000 2.906 229 C HA 0.341 nan 4.460 nan 0.000 0.274 229 C C 1.162 176.409 174.990 0.429 0.000 1.257 229 C CA 0.194 59.415 59.018 0.338 0.000 1.695 229 C CB -1.260 26.630 27.740 0.250 0.000 1.958 229 C HN -0.136 8.510 8.230 0.189 -0.303 0.619 230 W N 2.077 123.465 121.300 0.147 0.000 2.329 230 W HA -0.549 nan 4.660 nan 0.000 0.324 230 W C 0.891 177.461 176.519 0.085 0.000 1.222 230 W CA 4.212 61.625 57.345 0.113 0.000 1.270 230 W CB -0.343 29.156 29.460 0.065 0.000 1.167 230 W HN -0.292 8.146 8.180 0.429 0.000 0.467 231 E N -3.517 116.591 120.200 -0.153 0.000 2.070 231 E HA -0.551 nan 4.350 nan 0.000 0.197 231 E C 2.056 178.527 176.600 -0.215 0.000 1.004 231 E CA 3.208 59.397 56.400 -0.351 0.000 0.805 231 E CB -1.721 27.848 29.700 -0.219 0.000 0.744 231 E HN 0.470 8.876 8.360 0.076 0.000 0.451 232 Q N -0.578 119.174 119.800 -0.080 0.000 2.046 232 Q HA -0.245 nan 4.340 nan 0.000 0.200 232 Q C 2.466 178.325 176.000 -0.235 0.000 0.975 232 Q CA 2.516 58.231 55.803 -0.146 0.000 0.836 232 Q CB -0.074 28.594 28.738 -0.117 0.000 0.896 232 Q HN -0.440 7.843 8.270 0.021 0.000 0.428 233 L N -0.036 121.116 121.223 -0.120 0.000 2.017 233 L HA -0.353 nan 4.340 nan 0.000 0.208 233 L C 1.631 178.510 176.870 0.016 0.000 1.073 233 L CA 2.899 57.721 54.840 -0.029 0.000 0.745 233 L CB -0.410 41.836 42.059 0.310 0.000 0.894 233 L HN -0.431 7.842 8.230 0.071 0.000 0.432 234 R N -1.004 119.471 120.500 -0.042 0.000 2.082 234 R HA -0.475 nan 4.340 nan 0.000 0.234 234 R C 2.326 178.580 176.300 -0.076 0.000 1.136 234 R CA 3.791 59.827 56.100 -0.106 0.000 0.935 234 R CB -0.183 29.865 30.300 -0.421 0.000 0.842 234 R HN 0.212 8.440 8.270 -0.070 0.000 0.430 235 E N -2.317 117.803 120.200 -0.132 0.000 2.106 235 E HA -0.261 nan 4.350 nan 0.000 0.192 235 E C 2.732 179.347 176.600 0.024 0.000 0.984 235 E CA 2.574 58.940 56.400 -0.056 0.000 0.806 235 E CB -0.657 28.975 29.700 -0.113 0.000 0.750 235 E HN 0.019 8.258 8.360 -0.202 0.000 0.458 236 N N -0.612 118.071 118.700 -0.029 0.000 2.354 236 N HA -0.121 nan 4.740 nan 0.000 0.179 236 N C 2.058 177.593 175.510 0.042 0.000 1.021 236 N CA 2.269 55.310 53.050 -0.015 0.000 0.887 236 N CB -0.358 38.074 38.487 -0.090 0.000 0.974 236 N HN -0.242 8.088 8.380 -0.084 0.000 0.437 237 A N 0.414 123.282 122.820 0.080 0.000 1.968 237 A HA -0.160 nan 4.320 nan 0.000 0.217 237 A C 1.403 179.051 177.584 0.105 0.000 1.169 237 A CA 2.633 54.757 52.037 0.146 0.000 0.638 237 A CB -0.647 18.465 19.000 0.187 0.000 0.812 237 A HN 0.016 8.198 8.150 0.053 0.000 0.446 238 Y N 0.139 120.427 120.300 -0.020 0.000 2.200 238 Y HA -0.300 nan 4.550 nan 0.000 0.290 238 Y C 2.220 178.125 175.900 0.008 0.000 1.137 238 Y CA 3.381 61.472 58.100 -0.016 0.000 1.163 238 Y CB 0.296 38.739 38.460 -0.028 0.000 0.988 238 Y HN -0.331 7.961 8.280 0.192 0.103 0.518 239 L N -0.770 120.467 121.223 0.024 0.000 2.265 239 L HA -0.264 nan 4.340 nan 0.000 0.215 239 L C 1.334 178.162 176.870 -0.069 0.000 1.117 239 L CA 2.545 57.362 54.840 -0.039 0.000 0.782 239 L CB -0.653 41.417 42.059 0.019 0.000 0.914 239 L HN -0.212 8.090 8.230 0.121 0.000 0.441 240 M N -4.122 115.456 119.600 -0.037 0.000 2.495 240 M HA 0.081 nan 4.480 nan 0.000 0.237 240 M C 0.908 177.181 176.300 -0.044 0.000 1.131 240 M CA -0.973 54.319 55.300 -0.012 0.000 1.032 240 M CB -0.412 32.215 32.600 0.046 0.000 1.513 240 M HN -0.821 7.321 8.290 -0.006 0.145 0.488 241 G N -0.604 108.111 108.800 -0.142 0.000 2.198 241 G HA2 -0.338 nan 3.960 nan 0.000 0.260 241 G HA3 -0.338 nan 3.960 nan 0.000 0.260 241 G C -0.011 174.843 174.900 -0.077 0.000 1.025 241 G CA 0.533 45.532 45.100 -0.169 0.000 0.769 241 G HN -0.150 7.798 8.290 -0.213 0.215 0.507 242 Q N 0.782 120.563 119.800 -0.033 0.000 2.296 242 Q HA 0.060 nan 4.340 nan 0.000 0.262 242 Q C -0.887 175.073 176.000 -0.067 0.000 0.981 242 Q CA -0.143 55.666 55.803 0.009 0.000 0.905 242 Q CB 0.474 29.277 28.738 0.107 0.000 1.186 242 Q HN -0.284 7.941 8.270 -0.035 0.023 0.399 243 M N -3.795 115.781 119.600 -0.040 0.000 3.012 243 M HA 0.185 nan 4.480 nan 0.000 0.272 243 M C -2.360 173.948 176.300 0.013 0.000 1.187 243 M CA -0.577 54.694 55.300 -0.049 0.000 0.813 243 M CB 2.794 35.364 32.600 -0.051 0.000 1.626 243 M HN -0.195 8.102 8.290 0.011 0.000 0.507 244 V N 0.649 120.599 119.914 0.061 0.000 2.962 244 V HA 0.322 nan 4.120 nan 0.000 0.313 244 V C -1.667 174.546 176.094 0.198 0.000 1.099 244 V CA -1.848 60.517 62.300 0.108 0.000 0.971 244 V CB 2.238 34.124 31.823 0.104 0.000 1.028 244 V HN 0.151 8.376 8.190 0.059 0.000 0.430 245 D N 2.110 122.580 120.400 0.117 0.000 2.382 245 D HA -0.011 nan 4.640 nan 0.000 0.240 245 D C 0.979 177.292 176.300 0.023 0.000 1.146 245 D CA -0.178 53.883 54.000 0.102 0.000 0.897 245 D CB 1.615 42.432 40.800 0.030 0.000 1.197 245 D HN 0.059 8.472 8.370 0.072 0.000 0.432 246 A N 2.829 125.620 122.820 -0.048 0.000 1.940 246 A HA -0.339 nan 4.320 nan 0.000 0.219 246 A C 1.549 179.021 177.584 -0.187 0.000 1.176 246 A CA 3.049 54.894 52.037 -0.320 0.000 0.631 246 A CB 0.027 18.928 19.000 -0.165 0.000 0.814 246 A HN 0.564 8.750 8.150 0.059 0.000 0.446 247 D N -2.791 117.555 120.400 -0.090 0.000 2.144 247 D HA -0.211 nan 4.640 nan 0.000 0.200 247 D C 2.240 178.549 176.300 0.014 0.000 0.978 247 D CA 4.104 58.078 54.000 -0.043 0.000 0.833 247 D CB 0.010 40.778 40.800 -0.052 0.000 0.961 247 D HN -0.089 8.289 8.370 -0.072 -0.051 0.470 248 T N 2.449 116.997 114.554 -0.011 0.000 2.857 248 T HA -0.161 nan 4.350 nan 0.000 0.266 248 T C 1.426 176.119 174.700 -0.011 0.000 1.048 248 T CA 4.209 66.311 62.100 0.003 0.000 1.139 248 T CB -0.496 68.376 68.868 0.007 0.000 0.874 248 T HN -0.361 8.129 8.240 -0.024 -0.265 0.455 249 A N 1.823 124.600 122.820 -0.071 0.000 1.902 249 A HA -0.246 nan 4.320 nan 0.000 0.217 249 A C 1.122 178.666 177.584 -0.067 0.000 1.181 249 A CA 3.140 55.111 52.037 -0.111 0.000 0.623 249 A CB -0.965 17.846 19.000 -0.314 0.000 0.818 249 A HN -0.319 7.764 8.150 -0.112 0.000 0.443 250 Y N -0.007 120.202 120.300 -0.151 0.000 2.145 250 Y HA -0.413 nan 4.550 nan 0.000 0.286 250 Y C 1.883 177.744 175.900 -0.065 0.000 1.145 250 Y CA 3.853 61.889 58.100 -0.106 0.000 1.148 250 Y CB 0.335 38.733 38.460 -0.103 0.000 0.981 250 Y HN -0.322 7.983 8.280 0.042 0.000 0.507 251 I N -2.369 118.246 120.570 0.075 0.000 2.361 251 I HA -0.497 nan 4.170 nan 0.000 0.251 251 I C 2.286 178.374 176.117 -0.049 0.000 1.133 251 I CA 2.884 64.191 61.300 0.011 0.000 1.413 251 I CB -1.306 36.732 38.000 0.064 0.000 1.073 251 I HN -0.127 8.186 8.210 0.172 0.000 0.424 252 T N 2.974 117.502 114.554 -0.044 0.000 2.851 252 T HA -0.174 nan 4.350 nan 0.000 0.262 252 T C 2.280 176.944 174.700 -0.060 0.000 1.043 252 T CA 4.991 67.073 62.100 -0.029 0.000 1.140 252 T CB -0.487 68.373 68.868 -0.013 0.000 0.872 252 T HN 0.006 8.214 8.240 -0.033 0.012 0.446 253 S N 2.781 118.411 115.700 -0.116 0.000 2.370 253 S HA -0.312 nan 4.470 nan 0.000 0.226 253 S C 1.601 176.105 174.600 -0.161 0.000 1.033 253 S CA 3.918 62.035 58.200 -0.137 0.000 1.011 253 S CB -0.290 62.795 63.200 -0.192 0.000 0.852 253 S HN -0.021 8.212 8.310 -0.128 0.000 0.457 254 R N 0.685 121.033 120.500 -0.253 0.000 2.081 254 R HA -0.250 nan 4.340 nan 0.000 0.235 254 R C 2.906 179.168 176.300 -0.063 0.000 1.131 254 R CA 2.790 58.760 56.100 -0.217 0.000 0.960 254 R CB 0.001 30.126 30.300 -0.292 0.000 0.856 254 R HN 0.002 8.075 8.270 -0.336 -0.005 0.436 255 G N -0.752 108.041 108.800 -0.011 0.000 2.422 255 G HA2 -0.277 nan 3.960 nan 0.000 0.218 255 G HA3 -0.277 nan 3.960 nan 0.000 0.218 255 G C 1.162 176.104 174.900 0.069 0.000 1.146 255 G CA 1.720 46.869 45.100 0.083 0.000 0.769 255 G HN 0.002 8.079 8.290 -0.037 0.191 0.547 256 L N 0.340 121.579 121.223 0.028 0.000 2.081 256 L HA -0.414 nan 4.340 nan 0.000 0.212 256 L C 2.759 179.648 176.870 0.031 0.000 1.080 256 L CA 2.710 57.567 54.840 0.029 0.000 0.754 256 L CB -0.604 41.459 42.059 0.006 0.000 0.893 256 L HN -0.370 7.845 8.230 0.000 0.015 0.433 257 R N -3.166 117.344 120.500 0.016 0.000 2.127 257 R HA -0.228 nan 4.340 nan 0.000 0.238 257 R C 1.412 177.733 176.300 0.035 0.000 1.134 257 R CA 2.126 58.236 56.100 0.017 0.000 0.975 257 R CB -0.766 29.535 30.300 0.000 0.000 0.865 257 R HN -0.414 7.831 8.270 0.000 0.025 0.447 258 T N -5.719 108.870 114.554 0.058 0.000 3.085 258 T HA 0.378 nan 4.350 nan 0.000 0.264 258 T C 0.709 175.455 174.700 0.076 0.000 1.019 258 T CA -0.791 61.349 62.100 0.068 0.000 0.910 258 T CB 1.055 69.979 68.868 0.093 0.000 1.059 258 T HN -0.642 7.612 8.240 0.070 0.028 0.542 259 L N 2.669 123.937 121.223 0.075 0.000 2.079 259 L HA -0.306 nan 4.340 nan 0.000 0.210 259 L C 0.852 177.760 176.870 0.062 0.000 1.081 259 L CA 3.234 58.123 54.840 0.081 0.000 0.752 259 L CB -0.459 41.643 42.059 0.072 0.000 0.896 259 L HN -0.352 7.729 8.230 0.066 0.189 0.433 260 G N -2.792 106.037 108.800 0.048 0.000 2.414 260 G HA2 -0.386 nan 3.960 nan 0.000 0.215 260 G HA3 -0.386 nan 3.960 nan 0.000 0.215 260 G C 0.934 175.855 174.900 0.036 0.000 1.188 260 G CA 2.489 47.613 45.100 0.040 0.000 0.783 260 G HN 0.399 8.716 8.290 0.045 0.000 0.537 261 V N -1.819 118.113 119.914 0.030 0.000 2.407 261 V HA -0.270 nan 4.120 nan 0.000 0.248 261 V C 1.947 178.043 176.094 0.004 0.000 1.055 261 V CA 2.037 64.346 62.300 0.015 0.000 1.049 261 V CB -0.838 30.991 31.823 0.011 0.000 0.662 261 V HN -0.423 7.787 8.190 0.034 0.000 0.455 262 R N 0.209 120.728 120.500 0.032 0.000 2.066 262 R HA -0.295 nan 4.340 nan 0.000 0.232 262 R C 2.452 178.792 176.300 0.065 0.000 1.131 262 R CA 3.254 59.371 56.100 0.028 0.000 0.955 262 R CB -0.179 30.219 30.300 0.164 0.000 0.851 262 R HN -0.334 7.968 8.270 0.054 0.000 0.432 263 L N -1.074 120.216 121.223 0.112 0.000 2.079 263 L HA -0.402 nan 4.340 nan 0.000 0.210 263 L C 2.181 179.102 176.870 0.085 0.000 1.081 263 L CA 3.151 58.033 54.840 0.071 0.000 0.752 263 L CB -0.624 41.420 42.059 -0.025 0.000 0.896 263 L HN 0.121 8.403 8.230 0.087 0.000 0.433 264 R N -2.174 118.359 120.500 0.056 0.000 2.096 264 R HA -0.410 nan 4.340 nan 0.000 0.235 264 R C 2.428 178.736 176.300 0.014 0.000 1.127 264 R CA 3.722 59.850 56.100 0.046 0.000 0.968 264 R CB -0.443 29.864 30.300 0.012 0.000 0.861 264 R HN -0.403 7.890 8.270 0.039 0.000 0.440 265 Q N -0.937 118.835 119.800 -0.046 0.000 2.083 265 Q HA -0.206 nan 4.340 nan 0.000 0.198 265 Q C 2.656 178.600 176.000 -0.093 0.000 0.969 265 Q CA 2.657 58.396 55.803 -0.107 0.000 0.838 265 Q CB -0.596 28.027 28.738 -0.192 0.000 0.900 265 Q HN -0.414 7.733 8.270 -0.058 0.088 0.436 266 H N -0.162 118.934 119.070 0.043 0.000 2.353 266 H HA -0.248 nan 4.556 nan 0.000 0.300 266 H C 2.544 177.924 175.328 0.087 0.000 1.090 266 H CA 3.820 59.894 56.048 0.042 0.000 1.327 266 H CB 0.016 29.777 29.762 -0.001 0.000 1.383 266 H HN 0.002 8.130 8.280 -0.126 0.076 0.508 267 H N 0.323 119.443 119.070 0.085 0.000 2.270 267 H HA -0.250 nan 4.556 nan 0.000 0.299 267 H C 2.203 177.554 175.328 0.038 0.000 1.077 267 H CA 2.824 58.913 56.048 0.069 0.000 1.294 267 H CB 0.059 29.866 29.762 0.075 0.000 1.371 267 H HN 0.123 8.559 8.280 0.261 0.000 0.491 268 E N -1.388 118.877 120.200 0.108 0.000 2.070 268 E HA -0.440 nan 4.350 nan 0.000 0.197 268 E C 2.581 179.198 176.600 0.029 0.000 1.004 268 E CA 3.271 59.661 56.400 -0.017 0.000 0.805 268 E CB -0.042 29.621 29.700 -0.062 0.000 0.744 268 E HN -0.215 8.194 8.360 0.083 0.000 0.451 269 S N -1.225 114.502 115.700 0.045 0.000 2.355 269 S HA -0.257 nan 4.470 nan 0.000 0.222 269 S C 2.261 176.911 174.600 0.082 0.000 1.031 269 S CA 3.928 62.156 58.200 0.046 0.000 0.993 269 S CB -0.188 63.031 63.200 0.032 0.000 0.859 269 S HN 0.028 8.366 8.310 0.046 0.000 0.453 270 S N 2.717 118.497 115.700 0.134 0.000 2.382 270 S HA -0.272 nan 4.470 nan 0.000 0.228 270 S C 1.860 176.388 174.600 -0.121 0.000 1.027 270 S CA 3.411 61.700 58.200 0.149 0.000 0.991 270 S CB -0.107 63.278 63.200 0.309 0.000 0.823 270 S HN -0.082 8.324 8.310 0.161 0.000 0.469 271 L N 2.715 123.859 121.223 -0.132 0.000 2.046 271 L HA -0.310 nan 4.340 nan 0.000 0.208 271 L C 0.969 177.727 176.870 -0.186 0.000 1.077 271 L CA 3.091 57.742 54.840 -0.315 0.000 0.747 271 L CB -0.564 41.423 42.059 -0.119 0.000 0.896 271 L HN -0.190 8.045 8.230 0.029 0.011 0.432 272 K N -1.114 119.249 120.400 -0.062 0.000 2.097 272 K HA -0.221 nan 4.320 nan 0.000 0.205 272 K C 2.455 179.087 176.600 0.054 0.000 1.050 272 K CA 2.723 59.006 56.287 -0.006 0.000 0.938 272 K CB -0.922 31.581 32.500 0.004 0.000 0.718 272 K HN -0.520 7.711 8.250 -0.033 0.000 0.442 273 V N 0.058 120.014 119.914 0.070 0.000 2.358 273 V HA -0.380 nan 4.120 nan 0.000 0.246 273 V C 1.997 178.215 176.094 0.206 0.000 1.047 273 V CA 3.862 66.289 62.300 0.212 0.000 1.035 273 V CB -1.154 30.864 31.823 0.325 0.000 0.658 273 V HN -0.334 7.802 8.190 0.040 0.078 0.452 274 A N -0.655 122.107 122.820 -0.098 0.000 1.877 274 A HA -0.391 nan 4.320 nan 0.000 0.216 274 A C 1.924 179.459 177.584 -0.081 0.000 1.186 274 A CA 3.714 55.619 52.037 -0.221 0.000 0.620 274 A CB -0.872 17.749 19.000 -0.631 0.000 0.822 274 A HN 0.458 8.399 8.150 -0.225 0.074 0.443 275 E N -1.360 118.792 120.200 -0.080 0.000 2.058 275 E HA -0.402 nan 4.350 nan 0.000 0.194 275 E C 2.091 178.723 176.600 0.054 0.000 0.997 275 E CA 2.747 59.128 56.400 -0.032 0.000 0.801 275 E CB -0.126 29.559 29.700 -0.025 0.000 0.746 275 E HN -0.256 8.030 8.360 -0.124 0.000 0.450 276 W N -0.085 121.195 121.300 -0.034 0.000 2.355 276 W HA -0.323 nan 4.660 nan 0.000 0.309 276 W C 1.033 177.567 176.519 0.026 0.000 1.206 276 W CA 3.494 60.846 57.345 0.011 0.000 1.284 276 W CB 0.029 29.517 29.460 0.046 0.000 1.145 276 W HN -0.570 7.775 8.180 0.276 0.000 0.502 277 L N -4.178 117.040 121.223 -0.009 0.000 2.083 277 L HA -0.422 nan 4.340 nan 0.000 0.209 277 L C 2.815 179.536 176.870 -0.249 0.000 1.083 277 L CA 2.403 57.079 54.840 -0.272 0.000 0.752 277 L CB -0.242 41.711 42.059 -0.177 0.000 0.899 277 L HN -0.101 8.278 8.230 0.250 0.000 0.433 278 A N -0.037 122.700 122.820 -0.138 0.000 1.917 278 A HA -0.404 nan 4.320 nan 0.000 0.219 278 A C 1.059 178.551 177.584 -0.153 0.000 1.182 278 A CA 3.013 54.982 52.037 -0.114 0.000 0.633 278 A CB -0.706 18.239 19.000 -0.091 0.000 0.819 278 A HN 0.171 8.258 8.150 -0.085 0.012 0.448 279 E N -3.446 116.638 120.200 -0.194 0.000 2.502 279 E HA -0.031 nan 4.350 nan 0.000 0.194 279 E C -0.089 176.316 176.600 -0.325 0.000 1.062 279 E CA -0.661 55.609 56.400 -0.215 0.000 0.867 279 E CB 0.083 29.682 29.700 -0.169 0.000 0.888 279 E HN -0.542 7.704 8.360 -0.189 0.000 0.510 280 H N 1.311 120.072 119.070 -0.515 0.000 2.610 280 H HA 0.131 nan 4.556 nan 0.000 0.336 280 H C -1.032 174.012 175.328 -0.474 0.000 1.087 280 H CA -1.209 54.447 56.048 -0.654 0.000 1.405 280 H CB 1.157 30.288 29.762 -1.052 0.000 1.460 280 H HN -0.445 7.425 8.280 -0.332 0.211 0.538 281 P HA -0.269 nan 4.420 nan 0.000 0.218 281 P C 0.262 177.444 177.300 -0.197 0.000 1.146 281 P CA 2.399 65.270 63.100 -0.381 0.000 0.813 281 P CB 0.384 31.814 31.700 -0.449 0.000 0.778 282 Q N -4.929 114.816 119.800 -0.092 0.000 2.319 282 Q HA 0.133 nan 4.340 nan 0.000 0.202 282 Q C -0.922 175.075 176.000 -0.006 0.000 0.896 282 Q CA -0.078 55.691 55.803 -0.058 0.000 0.942 282 Q CB 0.767 29.452 28.738 -0.087 0.000 1.083 282 Q HN -0.227 8.060 8.270 0.123 0.057 0.510 283 V N 0.002 119.895 119.914 -0.036 0.000 2.394 283 V HA 0.165 nan 4.120 nan 0.000 0.282 283 V C -1.300 174.814 176.094 0.035 0.000 1.031 283 V CA -0.946 61.390 62.300 0.061 0.000 0.881 283 V CB 0.145 31.959 31.823 -0.016 0.000 0.982 283 V HN -0.470 7.508 8.190 -0.092 0.156 0.451 284 A N 8.606 131.471 122.820 0.075 0.000 1.898 284 A HA 0.061 nan 4.320 nan 0.000 0.214 284 A C -0.328 177.278 177.584 0.037 0.000 1.183 284 A CA 1.927 53.989 52.037 0.042 0.000 0.622 284 A CB 1.316 20.347 19.000 0.052 0.000 0.824 284 A HN 0.874 8.996 8.150 0.123 0.102 0.444 285 R N -2.920 117.621 120.500 0.067 0.000 2.692 285 R HA 0.172 nan 4.340 nan 0.000 0.269 285 R C -2.611 173.755 176.300 0.110 0.000 1.030 285 R CA -0.657 55.474 56.100 0.051 0.000 0.882 285 R CB 2.900 33.216 30.300 0.026 0.000 1.250 285 R HN -0.619 7.718 8.270 0.112 0.000 0.465 286 V N 1.659 121.628 119.914 0.092 0.000 2.444 286 V HA 0.475 nan 4.120 nan 0.000 0.294 286 V C -0.319 175.847 176.094 0.119 0.000 1.022 286 V CA -1.432 60.973 62.300 0.174 0.000 0.850 286 V CB 1.961 33.864 31.823 0.134 0.000 0.992 286 V HN 0.399 8.614 8.190 0.043 0.000 0.426 287 N N 9.068 127.860 118.700 0.154 0.000 2.949 287 N HA 0.249 nan 4.740 nan 0.000 0.243 287 N C -1.927 173.648 175.510 0.108 0.000 1.113 287 N CA -0.765 52.319 53.050 0.057 0.000 0.980 287 N CB -0.087 38.379 38.487 -0.035 0.000 1.256 287 N HN 0.716 9.131 8.380 0.237 0.107 0.508 288 H N 3.974 123.012 119.070 -0.053 0.000 2.727 288 H HA 0.362 nan 4.556 nan 0.000 0.330 288 H C -1.697 173.450 175.328 -0.302 0.000 0.986 288 H CA -3.266 52.687 56.048 -0.158 0.000 1.251 288 H CB 3.158 32.720 29.762 -0.333 0.000 1.493 288 H HN -0.560 7.762 8.280 0.071 0.000 0.515 289 P HA -0.325 nan 4.420 nan 0.000 0.217 289 P C -1.163 175.723 177.300 -0.691 0.000 1.148 289 P CA 2.234 65.007 63.100 -0.546 0.000 0.834 289 P CB 0.123 31.226 31.700 -0.994 0.000 0.783 290 A N -6.126 116.253 122.820 -0.734 0.000 2.218 290 A HA 0.080 nan 4.320 nan 0.000 0.209 290 A C -0.215 177.211 177.584 -0.263 0.000 1.168 290 A CA -0.100 51.347 52.037 -0.982 0.000 0.804 290 A CB 0.315 18.727 19.000 -0.981 0.000 0.834 290 A HN -0.296 7.751 8.150 -0.113 0.035 0.482 291 L N 0.423 121.505 121.223 -0.235 0.000 2.275 291 L HA 0.361 nan 4.340 nan 0.000 0.288 291 L C -2.484 174.090 176.870 -0.492 0.000 1.046 291 L CA -3.551 51.109 54.840 -0.300 0.000 0.805 291 L CB 1.175 43.084 42.059 -0.250 0.000 1.193 291 L HN -0.118 7.824 8.230 -0.171 0.185 0.426 292 P HA 0.026 nan 4.420 nan 0.000 0.269 292 P C -0.116 176.973 177.300 -0.352 0.000 1.215 292 P CA 0.483 63.115 63.100 -0.780 0.000 0.780 292 P CB 0.417 31.845 31.700 -0.454 0.000 0.898 293 G N 2.735 111.394 108.800 -0.235 0.000 2.179 293 G HA2 -0.309 nan 3.960 nan 0.000 0.260 293 G HA3 -0.309 nan 3.960 nan 0.000 0.260 293 G C -0.537 174.313 174.900 -0.083 0.000 0.977 293 G CA -0.030 45.000 45.100 -0.118 0.000 0.641 293 G HN 0.468 8.619 8.290 -0.231 0.000 0.533 294 S N 0.820 116.466 115.700 -0.089 0.000 2.585 294 S HA 0.105 nan 4.470 nan 0.000 0.277 294 S C -0.185 174.399 174.600 -0.026 0.000 1.241 294 S CA -0.933 57.237 58.200 -0.051 0.000 1.041 294 S CB 1.101 64.266 63.200 -0.059 0.000 0.987 294 S HN -0.631 7.519 8.310 -0.141 0.076 0.512 295 K N 5.536 125.919 120.400 -0.028 0.000 2.419 295 K HA -0.179 nan 4.320 nan 0.000 0.282 295 K C 0.635 177.228 176.600 -0.012 0.000 1.056 295 K CA 1.887 58.169 56.287 -0.010 0.000 1.035 295 K CB -0.139 32.369 32.500 0.013 0.000 0.921 295 K HN 0.655 8.885 8.250 -0.034 0.000 0.472 296 G N 5.875 114.647 108.800 -0.047 0.000 2.176 296 G HA2 -0.443 nan 3.960 nan 0.000 0.253 296 G HA3 -0.443 nan 3.960 nan 0.000 0.253 296 G C 0.610 175.432 174.900 -0.131 0.000 0.979 296 G CA 0.809 45.867 45.100 -0.070 0.000 0.641 296 G HN 0.681 8.917 8.290 -0.090 0.000 0.530 297 H N 2.881 121.859 119.070 -0.153 0.000 2.357 297 H HA -0.460 nan 4.556 nan 0.000 0.296 297 H C 0.763 176.124 175.328 0.055 0.000 1.108 297 H CA 4.572 60.602 56.048 -0.031 0.000 1.273 297 H CB 0.218 29.948 29.762 -0.054 0.000 1.367 297 H HN -0.241 7.988 8.280 0.014 0.060 0.498 298 E N -2.588 117.496 120.200 -0.192 0.000 2.208 298 E HA -0.259 nan 4.350 nan 0.000 0.193 298 E C 2.534 179.095 176.600 -0.065 0.000 0.988 298 E CA 2.809 59.108 56.400 -0.167 0.000 0.828 298 E CB -0.836 28.769 29.700 -0.159 0.000 0.763 298 E HN 0.445 8.663 8.360 -0.225 0.008 0.478 299 F N 0.125 120.123 119.950 0.081 0.000 2.163 299 F HA -0.182 nan 4.527 nan 0.000 0.297 299 F C 1.770 177.642 175.800 0.121 0.000 1.094 299 F CA 1.362 59.424 58.000 0.103 0.000 1.290 299 F CB -1.119 37.946 39.000 0.109 0.000 1.017 299 F HN -0.229 7.646 8.300 -0.485 0.134 0.483 300 W N -0.047 121.284 121.300 0.053 0.000 2.333 300 W HA -0.520 nan 4.660 nan 0.000 0.316 300 W C 1.646 178.177 176.519 0.020 0.000 1.215 300 W CA 4.378 61.661 57.345 -0.103 0.000 1.278 300 W CB 0.178 29.362 29.460 -0.461 0.000 1.154 300 W HN 0.202 8.534 8.180 0.254 0.000 0.486 301 K N -0.987 119.271 120.400 -0.237 0.000 2.113 301 K HA -0.408 nan 4.320 nan 0.000 0.208 301 K C 1.835 178.281 176.600 -0.257 0.000 1.047 301 K CA 3.186 59.213 56.287 -0.433 0.000 0.928 301 K CB -0.246 32.144 32.500 -0.184 0.000 0.716 301 K HN -0.045 8.102 8.250 0.008 0.109 0.446 302 R N -2.660 117.814 120.500 -0.044 0.000 2.080 302 R HA -0.130 nan 4.340 nan 0.000 0.222 302 R C 1.727 178.106 176.300 0.132 0.000 1.107 302 R CA 2.427 58.567 56.100 0.067 0.000 0.980 302 R CB 0.714 31.114 30.300 0.166 0.000 0.879 302 R HN -0.518 7.652 8.270 0.018 0.111 0.439 303 D N -2.798 117.731 120.400 0.215 0.000 2.338 303 D HA 0.087 nan 4.640 nan 0.000 0.208 303 D C -0.032 176.428 176.300 0.267 0.000 0.997 303 D CA 1.591 55.790 54.000 0.331 0.000 0.880 303 D CB 1.535 42.530 40.800 0.326 0.000 0.980 303 D HN 0.103 8.499 8.370 0.209 0.099 0.509 304 F N -1.098 118.796 119.950 -0.093 0.000 2.380 304 F HA 0.121 nan 4.527 nan 0.000 0.319 304 F C 1.061 176.760 175.800 -0.169 0.000 1.113 304 F CA -0.343 57.607 58.000 -0.083 0.000 1.056 304 F CB 1.555 40.397 39.000 -0.265 0.000 1.289 304 F HN -0.311 8.116 8.300 0.211 0.000 0.515 305 T N -3.761 110.899 114.554 0.177 0.000 3.252 305 T HA 0.381 nan 4.350 nan 0.000 0.286 305 T C -0.447 174.369 174.700 0.192 0.000 1.013 305 T CA -0.981 61.182 62.100 0.106 0.000 0.914 305 T CB 0.358 69.282 68.868 0.093 0.000 1.131 305 T HN 0.513 8.933 8.240 0.299 0.000 0.529 306 G N 1.117 110.098 108.800 0.303 0.000 2.315 306 G HA2 -0.023 nan 3.960 nan 0.000 0.294 306 G HA3 -0.023 nan 3.960 nan 0.000 0.294 306 G C -3.074 172.148 174.900 0.535 0.000 1.300 306 G CA 0.427 45.783 45.100 0.426 0.000 0.843 306 G HN -0.706 7.712 8.290 0.313 0.060 0.527 307 S N -2.249 113.504 115.700 0.089 0.000 2.632 307 S HA 0.497 nan 4.470 nan 0.000 0.289 307 S C -1.736 172.618 174.600 -0.410 0.000 1.115 307 S CA -2.462 55.652 58.200 -0.144 0.000 0.889 307 S CB 1.520 64.444 63.200 -0.461 0.000 1.116 307 S HN 0.146 8.464 8.310 0.013 0.000 0.486 308 S N -0.077 115.099 115.700 -0.872 0.000 2.721 308 S HA 0.239 nan 4.470 nan 0.000 0.296 308 S C -0.022 174.369 174.600 -0.349 0.000 1.093 308 S CA -1.477 56.269 58.200 -0.756 0.000 0.959 308 S CB 2.489 64.967 63.200 -1.203 0.000 1.301 308 S HN 0.088 7.515 8.310 -1.471 0.000 0.550 309 G N -2.847 105.879 108.800 -0.122 0.000 3.189 309 G HA2 0.245 nan 3.960 nan 0.000 0.225 309 G HA3 0.245 nan 3.960 nan 0.000 0.225 309 G C -1.492 173.505 174.900 0.162 0.000 1.159 309 G CA -0.468 44.689 45.100 0.095 0.000 0.763 309 G HN -0.071 8.136 8.290 -0.139 0.000 0.549 310 L N 1.709 123.010 121.223 0.130 0.000 2.307 310 L HA 0.807 nan 4.340 nan 0.000 0.282 310 L C -2.392 174.617 176.870 0.232 0.000 1.051 310 L CA 0.033 54.933 54.840 0.100 0.000 0.804 310 L CB 1.476 43.360 42.059 -0.291 0.000 1.197 310 L HN -0.903 7.305 8.230 -0.037 0.000 0.431 311 F N 2.563 122.450 119.950 -0.105 0.000 2.926 311 F HA 0.737 nan 4.527 nan 0.000 0.321 311 F C -3.030 172.730 175.800 -0.067 0.000 1.168 311 F CA -1.286 56.625 58.000 -0.148 0.000 0.890 311 F CB 2.393 41.248 39.000 -0.241 0.000 1.357 311 F HN 0.764 8.953 8.300 -0.184 0.000 0.468 312 S N -2.499 113.143 115.700 -0.097 0.000 2.651 312 S HA 0.932 nan 4.470 nan 0.000 0.279 312 S C -1.968 172.692 174.600 0.100 0.000 1.148 312 S CA -0.982 57.100 58.200 -0.198 0.000 0.837 312 S CB 3.461 66.515 63.200 -0.243 0.000 1.138 312 S HN 0.176 8.601 8.310 0.191 0.000 0.478 313 F N -4.837 115.026 119.950 -0.144 0.000 2.662 313 F HA 0.841 nan 4.527 nan 0.000 0.312 313 F C -2.520 173.200 175.800 -0.133 0.000 1.113 313 F CA -1.589 56.374 58.000 -0.061 0.000 0.951 313 F CB 2.498 41.533 39.000 0.060 0.000 1.344 313 F HN 0.582 8.614 8.300 -0.446 0.000 0.462 314 V N -0.497 119.429 119.914 0.020 0.000 2.448 314 V HA 0.691 nan 4.120 nan 0.000 0.295 314 V C -0.819 175.324 176.094 0.082 0.000 1.025 314 V CA -1.595 60.636 62.300 -0.114 0.000 0.859 314 V CB 0.961 32.708 31.823 -0.126 0.000 0.988 314 V HN 0.883 9.092 8.190 0.212 0.108 0.431 315 L N 5.884 127.115 121.223 0.013 0.000 2.436 315 L HA -0.030 nan 4.340 nan 0.000 0.265 315 L C -0.430 176.475 176.870 0.058 0.000 1.168 315 L CA 0.363 55.261 54.840 0.097 0.000 0.815 315 L CB 0.452 42.522 42.059 0.019 0.000 1.109 315 L HN 0.472 8.634 8.230 -0.114 0.000 0.462 316 K N -1.030 119.402 120.400 0.053 0.000 2.211 316 K HA -0.266 nan 4.320 nan 0.000 0.203 316 K C 0.445 177.056 176.600 0.017 0.000 1.050 316 K CA 1.908 58.212 56.287 0.028 0.000 0.945 316 K CB 0.153 32.658 32.500 0.009 0.000 0.732 316 K HN 0.096 8.385 8.250 0.065 0.000 0.451 317 K N -1.062 119.343 120.400 0.009 0.000 2.156 317 K HA 0.200 nan 4.320 nan 0.000 0.250 317 K C -1.906 174.685 176.600 -0.015 0.000 0.955 317 K CA -1.515 54.769 56.287 -0.005 0.000 0.855 317 K CB 1.671 34.165 32.500 -0.011 0.000 1.101 317 K HN -0.281 7.940 8.250 0.015 0.038 0.434 318 K N 3.220 123.609 120.400 -0.018 0.000 2.292 318 K HA 0.340 nan 4.320 nan 0.000 0.270 318 K C -0.762 175.817 176.600 -0.035 0.000 1.062 318 K CA -1.240 55.031 56.287 -0.027 0.000 0.916 318 K CB 0.067 32.549 32.500 -0.029 0.000 1.166 318 K HN 0.156 8.396 8.250 -0.016 0.000 0.458 319 L N 6.836 128.031 121.223 -0.046 0.000 2.456 319 L HA 0.040 nan 4.340 nan 0.000 0.272 319 L C -0.401 176.457 176.870 -0.020 0.000 1.189 319 L CA -0.012 54.805 54.840 -0.039 0.000 0.846 319 L CB 0.068 42.093 42.059 -0.056 0.000 1.111 319 L HN 0.179 8.374 8.230 -0.058 0.000 0.475 320 N N 2.177 120.872 118.700 -0.008 0.000 2.418 320 N HA -0.036 nan 4.740 nan 0.000 0.283 320 N C 0.515 176.034 175.510 0.015 0.000 1.267 320 N CA -0.720 52.330 53.050 0.001 0.000 0.975 320 N CB 0.710 39.198 38.487 0.002 0.000 1.167 320 N HN -0.081 8.591 8.380 -0.007 -0.297 0.581 321 N N -1.001 117.711 118.700 0.020 0.000 2.104 321 N HA -0.371 nan 4.740 nan 0.000 0.190 321 N C 2.137 177.669 175.510 0.037 0.000 1.024 321 N CA 3.626 56.695 53.050 0.032 0.000 0.853 321 N CB -0.633 37.872 38.487 0.029 0.000 1.008 321 N HN 0.412 8.802 8.380 0.015 0.000 0.424 322 E N 0.095 120.314 120.200 0.031 0.000 2.072 322 E HA -0.220 nan 4.350 nan 0.000 0.191 322 E C 2.222 178.849 176.600 0.045 0.000 0.985 322 E CA 2.604 59.024 56.400 0.034 0.000 0.801 322 E CB -0.854 28.862 29.700 0.026 0.000 0.750 322 E HN -0.289 8.205 8.360 0.024 -0.119 0.452 323 E N 0.154 120.379 120.200 0.041 0.000 2.150 323 E HA -0.285 nan 4.350 nan 0.000 0.193 323 E C 2.717 179.370 176.600 0.089 0.000 0.985 323 E CA 2.353 58.783 56.400 0.050 0.000 0.814 323 E CB 0.058 29.770 29.700 0.020 0.000 0.752 323 E HN -0.131 8.606 8.360 0.030 -0.359 0.466 324 L N -0.656 120.615 121.223 0.081 0.000 2.056 324 L HA -0.274 nan 4.340 nan 0.000 0.207 324 L C 1.246 178.210 176.870 0.156 0.000 1.078 324 L CA 2.959 57.875 54.840 0.126 0.000 0.749 324 L CB -0.427 41.683 42.059 0.085 0.000 0.901 324 L HN -0.222 8.027 8.230 0.056 0.015 0.433 325 A N -1.350 121.531 122.820 0.102 0.000 1.873 325 A HA -0.390 nan 4.320 nan 0.000 0.215 325 A C 1.882 179.516 177.584 0.084 0.000 1.186 325 A CA 3.295 55.381 52.037 0.082 0.000 0.616 325 A CB -0.940 18.094 19.000 0.056 0.000 0.823 325 A HN -0.298 7.900 8.150 0.081 0.000 0.442 326 N N -1.428 117.324 118.700 0.086 0.000 2.223 326 N HA -0.322 nan 4.740 nan 0.000 0.185 326 N C 1.736 177.299 175.510 0.089 0.000 1.016 326 N CA 3.279 56.371 53.050 0.071 0.000 0.863 326 N CB 0.389 38.914 38.487 0.064 0.000 0.983 326 N HN -0.326 8.104 8.380 0.083 0.000 0.429 327 Y N 1.042 121.344 120.300 0.004 0.000 2.114 327 Y HA -0.265 nan 4.550 nan 0.000 0.284 327 Y C 1.781 177.731 175.900 0.085 0.000 1.119 327 Y CA 3.468 61.568 58.100 0.001 0.000 1.108 327 Y CB 0.332 38.820 38.460 0.047 0.000 0.995 327 Y HN -0.430 7.996 8.280 0.261 0.011 0.491 328 L N -2.479 118.798 121.223 0.090 0.000 2.083 328 L HA -0.427 nan 4.340 nan 0.000 0.209 328 L C 2.721 179.651 176.870 0.100 0.000 1.083 328 L CA 2.847 57.734 54.840 0.078 0.000 0.752 328 L CB -0.479 41.630 42.059 0.083 0.000 0.899 328 L HN 0.138 8.516 8.230 0.247 0.000 0.433 329 D N -1.089 119.344 120.400 0.055 0.000 2.264 329 D HA -0.141 nan 4.640 nan 0.000 0.208 329 D C 0.952 177.264 176.300 0.019 0.000 0.966 329 D CA 2.519 56.542 54.000 0.039 0.000 0.864 329 D CB -0.461 40.357 40.800 0.029 0.000 0.933 329 D HN 0.286 8.584 8.370 0.057 0.106 0.499 330 N N -1.948 116.726 118.700 -0.044 0.000 2.251 330 N HA 0.021 nan 4.740 nan 0.000 0.217 330 N C -0.825 174.589 175.510 -0.159 0.000 1.124 330 N CA -0.067 52.923 53.050 -0.100 0.000 0.843 330 N CB 0.695 39.105 38.487 -0.129 0.000 1.024 330 N HN -0.704 7.594 8.380 -0.075 0.037 0.501 331 F N 1.209 121.104 119.950 -0.091 0.000 2.418 331 F HA -0.061 nan 4.527 nan 0.000 0.341 331 F C 0.724 176.524 175.800 -0.001 0.000 1.120 331 F CA 1.070 59.036 58.000 -0.057 0.000 1.232 331 F CB 0.846 39.805 39.000 -0.069 0.000 1.175 331 F HN -0.736 7.601 8.300 0.160 0.059 0.569 332 S N 2.901 118.736 115.700 0.224 0.000 2.524 332 S HA 0.114 nan 4.470 nan 0.000 0.222 332 S C 0.377 175.048 174.600 0.118 0.000 1.040 332 S CA 1.534 59.812 58.200 0.129 0.000 0.915 332 S CB 1.800 65.041 63.200 0.068 0.000 0.831 332 S HN 0.349 9.237 8.310 0.257 -0.423 0.492 333 L N -0.363 120.961 121.223 0.168 0.000 2.575 333 L HA 0.083 nan 4.340 nan 0.000 0.228 333 L C -0.569 176.230 176.870 -0.120 0.000 1.075 333 L CA 0.868 55.717 54.840 0.014 0.000 0.867 333 L CB 1.442 43.472 42.059 -0.050 0.000 1.097 333 L HN -0.446 8.274 8.230 0.298 -0.311 0.485 334 F N -0.514 119.427 119.950 -0.015 0.000 2.404 334 F HA -0.003 nan 4.527 nan 0.000 0.354 334 F C -0.789 174.933 175.800 -0.130 0.000 1.122 334 F CA -0.312 57.597 58.000 -0.151 0.000 1.080 334 F CB 1.288 40.020 39.000 -0.448 0.000 1.131 334 F HN -0.842 7.845 8.300 0.421 -0.135 0.471 335 S N 3.819 119.538 115.700 0.032 0.000 2.616 335 S HA 0.249 nan 4.470 nan 0.000 0.277 335 S C -1.142 173.435 174.600 -0.038 0.000 1.234 335 S CA -0.696 57.505 58.200 0.002 0.000 1.028 335 S CB 1.768 64.960 63.200 -0.014 0.000 0.988 335 S HN 0.556 8.868 8.310 0.003 0.000 0.522 336 M N 4.763 124.330 119.600 -0.055 0.000 2.105 336 M HA 0.160 nan 4.480 nan 0.000 0.350 336 M C -1.015 175.212 176.300 -0.121 0.000 1.308 336 M CA 0.662 55.899 55.300 -0.106 0.000 1.108 336 M CB 0.448 32.995 32.600 -0.088 0.000 1.622 336 M HN 0.382 8.654 8.290 -0.029 0.000 0.468 337 A N 4.941 127.649 122.820 -0.186 0.000 2.583 337 A HA 0.224 nan 4.320 nan 0.000 0.292 337 A C -2.760 174.661 177.584 -0.270 0.000 1.045 337 A CA -0.314 51.616 52.037 -0.179 0.000 0.672 337 A CB 2.312 21.268 19.000 -0.074 0.000 1.283 337 A HN 0.153 8.175 8.150 -0.213 0.000 0.419 338 Y N 0.034 120.338 120.300 0.008 0.000 2.289 338 Y HA 0.167 nan 4.550 nan 0.000 0.332 338 Y C 0.545 176.449 175.900 0.006 0.000 1.324 338 Y CA 0.419 58.539 58.100 0.032 0.000 1.478 338 Y CB 0.786 39.265 38.460 0.032 0.000 1.378 338 Y HN 0.142 8.456 8.280 0.057 0.000 0.558 339 S N -1.329 114.508 115.700 0.228 0.000 3.756 339 S HA -0.214 nan 4.470 nan 0.000 0.640 339 S C -2.295 172.326 174.600 0.036 0.000 2.059 339 S CA 0.917 59.092 58.200 -0.042 0.000 2.224 339 S CB 0.348 63.430 63.200 -0.197 0.000 0.327 339 S HN 0.355 8.899 8.310 0.391 0.000 1.789 340 W N -3.891 117.200 121.300 -0.349 0.000 2.698 340 W HA 0.068 nan 4.660 nan 0.000 0.445 340 W C -1.180 174.801 176.519 -0.898 0.000 1.013 340 W CA -0.169 56.786 57.345 -0.650 0.000 1.202 340 W CB -0.511 28.673 29.460 -0.460 0.000 1.453 340 W HN -0.238 7.443 8.180 -0.831 0.000 0.610 341 G N -1.573 106.536 108.800 -1.151 0.000 2.176 341 G HA2 -0.400 nan 3.960 nan 0.000 0.253 341 G HA3 -0.400 nan 3.960 nan 0.000 0.253 341 G C -1.332 173.095 174.900 -0.788 0.000 0.979 341 G CA 0.452 44.690 45.100 -1.437 0.000 0.641 341 G HN 0.006 7.206 8.290 -1.817 0.000 0.530 342 G N -1.399 107.048 108.800 -0.588 0.000 2.606 342 G HA2 0.122 nan 3.960 nan 0.000 0.262 342 G HA3 0.122 nan 3.960 nan 0.000 0.262 342 G C -0.418 174.500 174.900 0.029 0.000 1.394 342 G CA -1.676 43.246 45.100 -0.298 0.000 1.044 342 G HN -0.695 7.041 8.290 -0.818 0.063 0.553 343 Y N -5.405 114.927 120.300 0.052 0.000 2.490 343 Y HA 0.058 nan 4.550 nan 0.000 0.285 343 Y C -0.603 175.370 175.900 0.121 0.000 1.117 343 Y CA -0.563 57.602 58.100 0.108 0.000 1.262 343 Y CB 0.151 38.612 38.460 0.002 0.000 1.043 343 Y HN 0.178 8.066 8.280 -0.653 0.000 0.553 344 E N 0.422 120.562 120.200 -0.100 0.000 2.242 344 E HA 0.233 nan 4.350 nan 0.000 0.275 344 E C -0.997 175.644 176.600 0.068 0.000 1.002 344 E CA -2.114 54.289 56.400 0.005 0.000 0.841 344 E CB 1.136 30.787 29.700 -0.082 0.000 1.109 344 E HN -0.399 7.655 8.360 -0.510 0.000 0.394 345 S N 2.471 118.140 115.700 -0.052 0.000 2.528 345 S HA 0.362 nan 4.470 nan 0.000 0.277 345 S C -1.053 173.535 174.600 -0.020 0.000 1.297 345 S CA 1.161 59.281 58.200 -0.134 0.000 1.052 345 S CB 0.189 62.959 63.200 -0.718 0.000 0.917 345 S HN 0.139 8.673 8.310 -0.123 -0.299 0.492 346 L N 3.681 125.003 121.223 0.166 0.000 2.323 346 L HA 0.989 nan 4.340 nan 0.000 0.265 346 L C -1.780 175.165 176.870 0.125 0.000 1.012 346 L CA -1.296 53.617 54.840 0.120 0.000 0.820 346 L CB 3.768 45.869 42.059 0.070 0.000 1.334 346 L HN 0.253 8.631 8.230 0.247 0.000 0.427 347 I N -0.207 120.337 120.570 -0.044 0.000 2.619 347 I HA 0.747 nan 4.170 nan 0.000 0.292 347 I C -2.421 173.569 176.117 -0.212 0.000 1.100 347 I CA -1.345 59.831 61.300 -0.207 0.000 1.043 347 I CB 3.293 40.999 38.000 -0.491 0.000 1.239 347 I HN 0.298 8.468 8.210 -0.068 0.000 0.420 348 L N 5.903 127.000 121.223 -0.210 0.000 2.445 348 L HA 0.440 nan 4.340 nan 0.000 0.262 348 L C -2.307 174.471 176.870 -0.153 0.000 0.974 348 L CA -1.242 53.487 54.840 -0.186 0.000 0.822 348 L CB 4.942 46.888 42.059 -0.188 0.000 1.339 348 L HN 0.066 8.161 8.230 -0.226 0.000 0.409 349 A N 1.892 124.659 122.820 -0.090 0.000 2.340 349 A HA 0.729 nan 4.320 nan 0.000 0.331 349 A C -1.475 176.117 177.584 0.013 0.000 1.140 349 A CA -0.913 51.089 52.037 -0.059 0.000 0.801 349 A CB 1.987 20.987 19.000 0.001 0.000 1.234 349 A HN 0.281 8.387 8.150 -0.074 0.000 0.469 350 N N 0.001 118.711 118.700 0.016 0.000 2.310 350 N HA 0.314 nan 4.740 nan 0.000 0.292 350 N C -1.438 174.108 175.510 0.060 0.000 1.049 350 N CA -0.472 52.660 53.050 0.138 0.000 0.849 350 N CB 4.297 42.856 38.487 0.120 0.000 1.532 350 N HN 0.449 8.794 8.380 -0.058 0.000 0.479 351 Q N 2.032 121.781 119.800 -0.086 0.000 2.306 351 Q HA 0.427 nan 4.340 nan 0.000 0.241 351 Q C -0.776 175.130 176.000 -0.157 0.000 0.948 351 Q CA -2.225 53.419 55.803 -0.265 0.000 0.886 351 Q CB -0.709 27.662 28.738 -0.611 0.000 1.227 351 Q HN -0.264 8.022 8.270 0.027 0.000 0.457 352 P HA -0.291 nan 4.420 nan 0.000 0.216 352 P C 0.341 177.517 177.300 -0.207 0.000 1.153 352 P CA 3.124 66.112 63.100 -0.188 0.000 0.858 352 P CB -0.185 31.328 31.700 -0.312 0.000 0.789 353 E N -2.347 117.726 120.200 -0.212 0.000 2.204 353 E HA -0.323 nan 4.350 nan 0.000 0.195 353 E C 1.960 178.544 176.600 -0.026 0.000 0.990 353 E CA 2.669 58.986 56.400 -0.139 0.000 0.821 353 E CB -1.907 27.718 29.700 -0.124 0.000 0.750 353 E HN 0.546 8.747 8.360 -0.244 0.012 0.477 354 H N 0.919 119.977 119.070 -0.021 0.000 2.363 354 H HA -0.189 nan 4.556 nan 0.000 0.301 354 H C 2.745 178.065 175.328 -0.012 0.000 1.074 354 H CA 1.932 57.974 56.048 -0.011 0.000 1.354 354 H CB 0.277 30.046 29.762 0.012 0.000 1.397 354 H HN -0.512 7.465 8.280 -0.250 0.153 0.516 355 I N -1.621 119.030 120.570 0.136 0.000 2.252 355 I HA -0.384 nan 4.170 nan 0.000 0.245 355 I C 2.366 178.487 176.117 0.007 0.000 1.102 355 I CA 1.622 62.983 61.300 0.101 0.000 1.385 355 I CB -1.544 36.600 38.000 0.241 0.000 1.064 355 I HN -0.573 7.711 8.210 0.124 0.000 0.414 356 A N 0.139 122.928 122.820 -0.053 0.000 1.908 356 A HA -0.293 nan 4.320 nan 0.000 0.218 356 A C 2.152 179.693 177.584 -0.071 0.000 1.181 356 A CA 3.160 55.143 52.037 -0.090 0.000 0.627 356 A CB -0.950 17.976 19.000 -0.125 0.000 0.818 356 A HN 0.492 8.600 8.150 -0.069 0.000 0.445 357 A N -1.608 121.185 122.820 -0.045 0.000 2.019 357 A HA -0.174 nan 4.320 nan 0.000 0.219 357 A C 0.815 178.343 177.584 -0.092 0.000 1.164 357 A CA 2.451 54.457 52.037 -0.051 0.000 0.644 357 A CB -0.158 18.834 19.000 -0.014 0.000 0.805 357 A HN -0.167 7.969 8.150 -0.019 0.002 0.449 358 I N -8.375 112.140 120.570 -0.093 0.000 3.927 358 I HA 0.223 nan 4.170 nan 0.000 0.332 358 I C -0.543 175.459 176.117 -0.192 0.000 1.485 358 I CA -0.711 60.498 61.300 -0.153 0.000 1.131 358 I CB 0.923 38.851 38.000 -0.121 0.000 1.092 358 I HN -0.585 7.430 8.210 -0.055 0.161 0.410 359 R N 1.877 122.278 120.500 -0.164 0.000 2.790 359 R HA 0.527 nan 4.340 nan 0.000 0.274 359 R C -2.404 173.778 176.300 -0.197 0.000 1.334 359 R CA -3.906 52.098 56.100 -0.159 0.000 1.543 359 R CB -0.904 29.350 30.300 -0.077 0.000 1.154 359 R HN -0.415 7.606 8.270 -0.133 0.170 0.601 360 P HA -0.086 nan 4.420 nan 0.000 0.264 360 P C -0.998 176.232 177.300 -0.117 0.000 1.193 360 P CA 0.679 63.536 63.100 -0.405 0.000 0.763 360 P CB 0.289 31.254 31.700 -1.225 0.000 0.810 361 Q N -2.284 117.524 119.800 0.013 0.000 2.461 361 Q HA -0.407 nan 4.340 nan 0.000 0.273 361 Q C -0.761 175.293 176.000 0.090 0.000 1.163 361 Q CA 1.010 56.881 55.803 0.114 0.000 0.929 361 Q CB -1.710 27.180 28.738 0.254 0.000 1.334 361 Q HN 0.538 8.797 8.270 -0.019 0.000 0.499 362 G N -4.142 104.676 108.800 0.029 0.000 2.694 362 G HA2 0.331 nan 3.960 nan 0.000 0.290 362 G HA3 0.331 nan 3.960 nan 0.000 0.290 362 G C -2.295 172.605 174.900 0.001 0.000 1.386 362 G CA -0.354 44.764 45.100 0.030 0.000 0.872 362 G HN -0.782 7.481 8.290 -0.010 0.021 0.475 363 E N -0.960 119.244 120.200 0.007 0.000 2.222 363 E HA 0.379 nan 4.350 nan 0.000 0.267 363 E C -0.774 175.813 176.600 -0.023 0.000 0.884 363 E CA -1.251 55.138 56.400 -0.019 0.000 0.764 363 E CB 1.499 31.193 29.700 -0.009 0.000 1.169 363 E HN 0.200 8.576 8.360 0.027 0.000 0.413 364 I N -2.038 118.487 120.570 -0.076 0.000 2.886 364 I HA 0.171 nan 4.170 nan 0.000 0.299 364 I C -0.388 175.681 176.117 -0.079 0.000 1.044 364 I CA -0.430 60.821 61.300 -0.082 0.000 1.310 364 I CB 0.884 38.716 38.000 -0.280 0.000 1.441 364 I HN 0.078 8.223 8.210 -0.109 0.000 0.578 365 D N -1.054 119.371 120.400 0.043 0.000 2.670 365 D HA 0.056 nan 4.640 nan 0.000 0.255 365 D C -1.148 175.249 176.300 0.162 0.000 1.286 365 D CA -0.520 53.526 54.000 0.076 0.000 0.830 365 D CB -0.293 40.574 40.800 0.112 0.000 1.065 365 D HN 0.147 8.635 8.370 0.198 0.000 0.486 366 F N -4.707 115.228 119.950 -0.024 0.000 2.662 366 F HA 0.451 nan 4.527 nan 0.000 0.312 366 F C -1.203 174.575 175.800 -0.037 0.000 1.113 366 F CA -1.086 56.897 58.000 -0.028 0.000 0.951 366 F CB 2.226 41.207 39.000 -0.031 0.000 1.344 366 F HN -0.846 7.173 8.300 -0.468 0.000 0.462 367 S N -0.333 115.402 115.700 0.058 0.000 2.728 367 S HA 0.058 nan 4.470 nan 0.000 0.257 367 S C -0.147 174.484 174.600 0.052 0.000 1.060 367 S CA 0.170 58.346 58.200 -0.041 0.000 1.126 367 S CB 1.691 64.864 63.200 -0.044 0.000 1.099 367 S HN 0.335 8.761 8.310 0.193 0.000 0.617 368 G N 2.105 111.006 108.800 0.168 0.000 2.531 368 G HA2 0.124 nan 3.960 nan 0.000 0.313 368 G HA3 0.124 nan 3.960 nan 0.000 0.313 368 G C -0.512 174.461 174.900 0.122 0.000 1.238 368 G CA -0.808 44.352 45.100 0.099 0.000 0.994 368 G HN -0.626 7.823 8.290 0.265 0.000 0.493 369 T N 2.304 116.863 114.554 0.008 0.000 2.888 369 T HA -0.062 nan 4.350 nan 0.000 0.301 369 T C -0.931 173.684 174.700 -0.142 0.000 1.001 369 T CA 2.208 64.281 62.100 -0.045 0.000 1.147 369 T CB 0.323 69.134 68.868 -0.096 0.000 0.931 369 T HN -0.151 8.078 8.240 -0.017 0.000 0.541 370 L N 6.669 127.792 121.223 -0.167 0.000 2.289 370 L HA 0.919 nan 4.340 nan 0.000 0.285 370 L C -2.182 174.443 176.870 -0.408 0.000 1.049 370 L CA -0.990 53.627 54.840 -0.372 0.000 0.804 370 L CB 2.123 43.919 42.059 -0.438 0.000 1.195 370 L HN 0.645 8.841 8.230 -0.057 0.000 0.428 371 I N 5.138 125.300 120.570 -0.682 0.000 2.406 371 I HA 0.616 nan 4.170 nan 0.000 0.290 371 I C -2.148 173.633 176.117 -0.560 0.000 0.999 371 I CA -2.061 58.842 61.300 -0.662 0.000 1.124 371 I CB 0.997 38.399 38.000 -0.996 0.000 1.289 371 I HN 1.059 8.736 8.210 -0.888 0.000 0.441 372 R N 6.948 127.227 120.500 -0.367 0.000 2.346 372 R HA 0.765 nan 4.340 nan 0.000 0.311 372 R C -2.026 174.084 176.300 -0.318 0.000 0.983 372 R CA -1.389 54.515 56.100 -0.327 0.000 0.880 372 R CB 2.095 32.257 30.300 -0.231 0.000 1.100 372 R HN 0.877 8.963 8.270 -0.306 0.000 0.453 373 L N 4.885 125.858 121.223 -0.417 0.000 2.365 373 L HA 0.601 nan 4.340 nan 0.000 0.273 373 L C -2.154 174.619 176.870 -0.160 0.000 1.000 373 L CA -1.407 53.254 54.840 -0.298 0.000 0.819 373 L CB 3.565 45.377 42.059 -0.411 0.000 1.284 373 L HN 0.967 8.739 8.230 -0.583 0.109 0.418 374 H N 4.593 123.657 119.070 -0.010 0.000 2.551 374 H HA 0.422 nan 4.556 nan 0.000 0.321 374 H C -1.216 174.215 175.328 0.171 0.000 1.028 374 H CA -2.051 54.034 56.048 0.062 0.000 1.215 374 H CB 2.186 31.987 29.762 0.066 0.000 1.414 374 H HN 0.630 9.001 8.280 0.151 0.000 0.480 375 I N 8.972 129.339 120.570 -0.339 0.000 2.322 375 I HA 0.099 nan 4.170 nan 0.000 0.292 375 I C -0.567 175.420 176.117 -0.216 0.000 1.060 375 I CA -1.808 59.421 61.300 -0.119 0.000 1.309 375 I CB -1.817 36.285 38.000 0.170 0.000 1.415 375 I HN 0.361 8.339 8.210 -0.214 0.104 0.492 376 G N 7.164 115.905 108.800 -0.098 0.000 2.546 376 G HA2 0.408 nan 3.960 nan 0.000 0.239 376 G HA3 0.408 nan 3.960 nan 0.000 0.239 376 G C -0.050 174.894 174.900 0.072 0.000 1.476 376 G CA -1.033 44.159 45.100 0.154 0.000 1.064 376 G HN 0.425 8.630 8.290 -0.142 0.000 0.561 377 L N -1.368 119.898 121.223 0.071 0.000 2.653 377 L HA 0.082 nan 4.340 nan 0.000 0.231 377 L C 0.326 177.180 176.870 -0.027 0.000 1.153 377 L CA -0.202 54.621 54.840 -0.028 0.000 0.933 377 L CB -0.225 41.827 42.059 -0.013 0.000 1.175 377 L HN 0.184 8.407 8.230 0.164 0.106 0.473 378 E N -1.264 118.917 120.200 -0.032 0.000 2.416 378 E HA -0.082 nan 4.350 nan 0.000 0.254 378 E C -1.008 175.559 176.600 -0.056 0.000 1.241 378 E CA 0.156 56.526 56.400 -0.051 0.000 0.969 378 E CB 0.602 30.247 29.700 -0.092 0.000 0.999 378 E HN -0.473 7.793 8.360 -0.032 0.075 0.481 379 D N -0.389 119.981 120.400 -0.051 0.000 2.383 379 D HA -0.079 nan 4.640 nan 0.000 0.252 379 D C 1.252 177.522 176.300 -0.050 0.000 1.166 379 D CA 0.612 54.584 54.000 -0.046 0.000 0.879 379 D CB 1.083 41.860 40.800 -0.039 0.000 1.164 379 D HN 0.158 8.498 8.370 -0.049 0.000 0.462 380 V N 6.768 126.656 119.914 -0.043 0.000 2.469 380 V HA -0.354 nan 4.120 nan 0.000 0.251 380 V C 0.767 176.825 176.094 -0.061 0.000 1.064 380 V CA 3.055 65.333 62.300 -0.037 0.000 1.066 380 V CB 0.087 31.897 31.823 -0.022 0.000 0.667 380 V HN 0.706 8.872 8.190 -0.040 0.000 0.461 381 D N -1.958 118.402 120.400 -0.067 0.000 2.224 381 D HA -0.181 nan 4.640 nan 0.000 0.205 381 D C 2.238 178.489 176.300 -0.082 0.000 0.965 381 D CA 3.577 57.522 54.000 -0.091 0.000 0.852 381 D CB -0.751 40.007 40.800 -0.069 0.000 0.947 381 D HN -0.327 8.130 8.370 -0.054 -0.120 0.494 382 D N 0.903 121.270 120.400 -0.054 0.000 2.149 382 D HA -0.101 nan 4.640 nan 0.000 0.201 382 D C 2.385 178.678 176.300 -0.012 0.000 0.972 382 D CA 2.857 56.837 54.000 -0.034 0.000 0.835 382 D CB -0.060 40.719 40.800 -0.035 0.000 0.966 382 D HN -0.490 7.848 8.370 -0.052 0.001 0.476 383 L N -0.187 121.025 121.223 -0.018 0.000 2.027 383 L HA -0.342 nan 4.340 nan 0.000 0.206 383 L C 2.074 179.031 176.870 0.146 0.000 1.074 383 L CA 3.262 58.150 54.840 0.079 0.000 0.745 383 L CB -0.098 41.972 42.059 0.019 0.000 0.898 383 L HN -0.364 7.759 8.230 -0.044 0.081 0.433 384 I N -1.669 118.851 120.570 -0.084 0.000 2.264 384 I HA -0.588 nan 4.170 nan 0.000 0.248 384 I C 1.568 177.463 176.117 -0.370 0.000 1.111 384 I CA 4.054 65.102 61.300 -0.420 0.000 1.382 384 I CB -0.431 37.172 38.000 -0.662 0.000 1.060 384 I HN 0.338 8.492 8.210 -0.093 0.000 0.418 385 A N -0.541 122.181 122.820 -0.162 0.000 1.898 385 A HA -0.380 nan 4.320 nan 0.000 0.216 385 A C 1.792 179.389 177.584 0.022 0.000 1.181 385 A CA 3.393 55.392 52.037 -0.062 0.000 0.620 385 A CB -1.083 17.898 19.000 -0.032 0.000 0.819 385 A HN -0.311 7.750 8.150 -0.132 0.010 0.442 386 D N -0.805 119.653 120.400 0.098 0.000 2.117 386 D HA -0.230 nan 4.640 nan 0.000 0.197 386 D C 2.263 178.668 176.300 0.174 0.000 0.987 386 D CA 2.842 56.954 54.000 0.187 0.000 0.829 386 D CB -0.008 41.032 40.800 0.400 0.000 0.961 386 D HN -0.556 7.875 8.370 0.101 0.000 0.460 387 L N -1.290 120.059 121.223 0.211 0.000 2.017 387 L HA -0.433 nan 4.340 nan 0.000 0.208 387 L C 1.859 178.761 176.870 0.054 0.000 1.073 387 L CA 3.176 58.087 54.840 0.118 0.000 0.745 387 L CB -0.137 41.965 42.059 0.072 0.000 0.894 387 L HN -0.325 8.030 8.230 0.208 0.000 0.432 388 D N -1.105 119.454 120.400 0.264 0.000 2.182 388 D HA -0.343 nan 4.640 nan 0.000 0.201 388 D C 1.952 178.421 176.300 0.281 0.000 0.986 388 D CA 3.525 57.835 54.000 0.516 0.000 0.847 388 D CB -0.029 41.038 40.800 0.445 0.000 0.942 388 D HN -0.088 8.348 8.370 0.109 0.000 0.467 389 A N -1.994 120.877 122.820 0.086 0.000 1.968 389 A HA -0.097 nan 4.320 nan 0.000 0.217 389 A C 2.075 179.607 177.584 -0.087 0.000 1.169 389 A CA 2.845 54.881 52.037 -0.001 0.000 0.638 389 A CB -0.712 18.244 19.000 -0.073 0.000 0.812 389 A HN -0.251 7.834 8.150 0.054 0.097 0.446 390 G N -1.287 107.362 108.800 -0.252 0.000 2.402 390 G HA2 -0.229 nan 3.960 nan 0.000 0.216 390 G HA3 -0.229 nan 3.960 nan 0.000 0.216 390 G C 1.620 176.616 174.900 0.160 0.000 1.162 390 G CA 1.699 46.610 45.100 -0.315 0.000 0.777 390 G HN -0.774 7.236 8.290 -0.248 0.131 0.539 391 F N 1.549 121.626 119.950 0.212 0.000 2.161 391 F HA -0.329 nan 4.527 nan 0.000 0.300 391 F C 1.631 177.504 175.800 0.121 0.000 1.089 391 F CA 2.171 60.257 58.000 0.144 0.000 1.282 391 F CB -0.569 38.470 39.000 0.065 0.000 1.010 391 F HN -0.050 8.266 8.300 0.026 0.000 0.485 392 A N -2.895 120.108 122.820 0.305 0.000 2.067 392 A HA -0.162 nan 4.320 nan 0.000 0.219 392 A C 1.237 178.896 177.584 0.125 0.000 1.158 392 A CA 2.327 54.477 52.037 0.187 0.000 0.661 392 A CB -0.754 18.332 19.000 0.143 0.000 0.801 392 A HN -0.366 7.874 8.150 0.300 0.091 0.452 393 R N -2.808 117.761 120.500 0.115 0.000 2.236 393 R HA -0.130 nan 4.340 nan 0.000 0.208 393 R C 0.977 177.339 176.300 0.103 0.000 1.036 393 R CA 1.856 58.006 56.100 0.084 0.000 1.001 393 R CB 0.337 30.668 30.300 0.052 0.000 0.896 393 R HN -0.384 7.820 8.270 0.122 0.138 0.464 394 I N -0.841 119.807 120.570 0.131 0.000 2.703 394 I HA -0.180 nan 4.170 nan 0.000 0.259 394 I C 0.703 176.862 176.117 0.070 0.000 1.151 394 I CA 1.324 62.674 61.300 0.083 0.000 1.470 394 I CB 0.821 38.849 38.000 0.046 0.000 1.112 394 I HN -0.735 7.423 8.210 0.177 0.159 0.437 395 V N 0.000 119.969 119.914 0.091 0.000 2.409 395 V HA 0.000 nan 4.120 nan 0.000 0.244 395 V CA 0.000 62.339 62.300 0.064 0.000 1.235 395 V CB 0.000 31.865 31.823 0.071 0.000 1.184 395 V HN 0.000 8.264 8.190 0.124 0.000 0.556