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 2vgw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAQGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.229 176.300 -0.119 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.641 32.600 0.069 0.000 1.302 2 K N 0.538 120.845 120.400 -0.155 0.000 2.362 2 K HA 0.229 4.570 4.320 0.034 0.000 0.203 2 K C 0.631 176.944 176.600 -0.478 0.000 1.198 2 K CA 0.633 56.694 56.287 -0.377 0.000 0.908 2 K CB 0.509 32.681 32.500 -0.546 0.000 1.236 2 K HN 0.674 nan 8.250 nan 0.000 0.487 3 Y N 0.478 120.708 120.300 -0.117 0.000 2.389 3 Y HA 0.015 4.574 4.550 0.015 0.000 0.292 3 Y C 1.888 177.715 175.900 -0.122 0.000 1.117 3 Y CA 0.086 58.123 58.100 -0.104 0.000 1.195 3 Y CB 0.017 38.436 38.460 -0.068 0.000 1.076 3 Y HN 0.020 nan 8.280 nan 0.000 0.548 4 L N 1.536 122.769 121.223 0.016 0.000 2.012 4 L HA -0.077 4.283 4.340 0.034 0.000 0.210 4 L C -0.894 175.871 176.870 -0.176 0.000 1.073 4 L CA 2.002 56.826 54.840 -0.026 0.000 0.748 4 L CB -1.601 40.489 42.059 0.052 0.000 0.891 4 L HN -0.005 nan 8.230 nan 0.000 0.431 5 P HA -0.202 nan 4.420 nan 0.000 0.216 5 P C 1.415 178.544 177.300 -0.284 0.000 1.150 5 P CA 1.289 63.943 63.100 -0.742 0.000 0.837 5 P CB 0.053 31.061 31.700 -1.154 0.000 0.786 6 Q N -0.143 119.533 119.800 -0.207 0.000 2.096 6 Q HA -0.171 4.189 4.340 0.034 0.000 0.197 6 Q C 2.314 178.289 176.000 -0.043 0.000 0.964 6 Q CA 1.616 57.357 55.803 -0.105 0.000 0.838 6 Q CB -0.915 27.765 28.738 -0.097 0.000 0.906 6 Q HN 0.041 nan 8.270 nan 0.000 0.444 7 Q N 0.113 119.901 119.800 -0.020 0.000 2.123 7 Q HA -0.043 4.318 4.340 0.034 0.000 0.199 7 Q C -0.360 175.646 176.000 0.011 0.000 0.966 7 Q CA 1.582 57.390 55.803 0.007 0.000 0.845 7 Q CB 0.286 29.040 28.738 0.026 0.000 0.907 7 Q HN 0.218 nan 8.270 nan 0.000 0.439 8 D N -1.263 119.148 120.400 0.019 0.000 2.517 8 D HA 0.214 4.875 4.640 0.034 0.000 0.263 8 D C -2.256 174.097 176.300 0.087 0.000 1.233 8 D CA -1.737 52.291 54.000 0.046 0.000 0.849 8 D CB 1.264 42.096 40.800 0.052 0.000 1.261 8 D HN -0.025 nan 8.370 nan 0.000 0.516 9 P HA -0.152 nan 4.420 nan 0.000 0.216 9 P C 1.425 178.807 177.300 0.137 0.000 1.150 9 P CA 1.231 64.405 63.100 0.124 0.000 0.843 9 P CB 0.558 32.302 31.700 0.073 0.000 0.787 10 Q N -0.803 119.047 119.800 0.084 0.000 2.020 10 Q HA -0.104 4.257 4.340 0.034 0.000 0.202 10 Q C 2.151 178.188 176.000 0.061 0.000 0.982 10 Q CA 1.385 57.223 55.803 0.059 0.000 0.838 10 Q CB -0.831 27.929 28.738 0.037 0.000 0.899 10 Q HN 0.093 nan 8.270 nan 0.000 0.423 11 V N 0.657 120.616 119.914 0.075 0.000 2.295 11 V HA -0.250 3.890 4.120 0.034 0.000 0.246 11 V C 1.968 178.124 176.094 0.103 0.000 1.049 11 V CA 1.790 64.133 62.300 0.073 0.000 1.024 11 V CB -0.627 31.239 31.823 0.071 0.000 0.648 11 V HN 0.315 nan 8.190 nan 0.000 0.447 12 F N 1.570 121.522 119.950 0.003 0.000 2.095 12 F HA -0.190 4.347 4.527 0.017 0.000 0.298 12 F C 2.290 178.090 175.800 0.001 0.000 1.104 12 F CA 1.411 59.413 58.000 0.002 0.000 1.232 12 F CB -0.689 38.312 39.000 0.000 0.000 0.987 12 F HN 0.078 nan 8.300 nan 0.000 0.475 13 A N 0.366 123.149 122.820 -0.062 0.000 1.908 13 A HA -0.113 4.227 4.320 0.034 0.000 0.218 13 A C 2.438 179.917 177.584 -0.175 0.000 1.181 13 A CA 2.110 54.053 52.037 -0.157 0.000 0.627 13 A CB -1.612 17.375 19.000 -0.022 0.000 0.818 13 A HN 0.520 nan 8.150 nan 0.000 0.445 14 A N -0.286 122.475 122.820 -0.098 0.000 1.898 14 A HA -0.036 4.304 4.320 0.034 0.000 0.216 14 A C 2.126 179.650 177.584 -0.101 0.000 1.181 14 A CA 1.428 53.420 52.037 -0.075 0.000 0.620 14 A CB -0.574 18.407 19.000 -0.032 0.000 0.819 14 A HN 0.497 nan 8.150 nan 0.000 0.442 15 I N -0.370 120.126 120.570 -0.125 0.000 2.179 15 I HA -0.224 3.967 4.170 0.034 0.000 0.242 15 I C 2.467 178.472 176.117 -0.187 0.000 1.088 15 I CA 1.270 62.498 61.300 -0.120 0.000 1.357 15 I CB -0.321 37.636 38.000 -0.071 0.000 1.051 15 I HN 0.289 nan 8.210 nan 0.000 0.409 16 E N 0.619 120.601 120.200 -0.364 0.000 2.110 16 E HA -0.247 4.123 4.350 0.034 0.000 0.193 16 E C 2.161 178.647 176.600 -0.190 0.000 0.988 16 E CA 1.247 57.431 56.400 -0.360 0.000 0.804 16 E CB -0.261 29.073 29.700 -0.610 0.000 0.745 16 E HN 0.599 nan 8.360 nan 0.000 0.458 17 Q N 0.254 119.962 119.800 -0.153 0.000 2.084 17 Q HA -0.205 4.155 4.340 0.034 0.000 0.202 17 Q C 2.152 178.122 176.000 -0.050 0.000 0.978 17 Q CA 1.580 57.334 55.803 -0.082 0.000 0.844 17 Q CB -0.115 28.586 28.738 -0.063 0.000 0.898 17 Q HN 0.096 nan 8.270 nan 0.000 0.426 18 E N 1.183 121.354 120.200 -0.050 0.000 2.077 18 E HA -0.206 4.165 4.350 0.034 0.000 0.193 18 E C 1.819 178.419 176.600 -0.001 0.000 0.989 18 E CA 1.370 57.761 56.400 -0.016 0.000 0.800 18 E CB -0.080 29.612 29.700 -0.012 0.000 0.746 18 E HN 0.176 nan 8.360 nan 0.000 0.452 19 R N 0.192 120.676 120.500 -0.026 0.000 2.083 19 R HA -0.141 4.219 4.340 0.034 0.000 0.237 19 R C 2.154 178.451 176.300 -0.004 0.000 1.137 19 R CA 1.983 58.072 56.100 -0.017 0.000 0.951 19 R CB -0.071 30.201 30.300 -0.048 0.000 0.851 19 R HN 0.079 nan 8.270 nan 0.000 0.434 20 K N -0.335 120.055 120.400 -0.017 0.000 2.097 20 K HA -0.120 4.220 4.320 0.034 0.000 0.205 20 K C 2.264 178.896 176.600 0.054 0.000 1.050 20 K CA 1.085 57.378 56.287 0.010 0.000 0.938 20 K CB -0.148 32.342 32.500 -0.017 0.000 0.718 20 K HN 0.129 nan 8.250 nan 0.000 0.442 21 R N 1.548 122.069 120.500 0.034 0.000 2.073 21 R HA -0.168 4.192 4.340 0.034 0.000 0.234 21 R C 2.058 178.394 176.300 0.060 0.000 1.134 21 R CA 1.643 57.768 56.100 0.043 0.000 0.952 21 R CB -0.048 30.270 30.300 0.031 0.000 0.850 21 R HN 0.271 nan 8.270 nan 0.000 0.433 22 Q N -1.108 118.737 119.800 0.076 0.000 2.152 22 Q HA -0.255 4.105 4.340 0.034 0.000 0.206 22 Q C 1.985 177.986 176.000 0.002 0.000 0.985 22 Q CA 2.115 57.983 55.803 0.110 0.000 0.863 22 Q CB -0.242 28.591 28.738 0.158 0.000 0.904 22 Q HN 0.547 nan 8.270 nan 0.000 0.422 23 H N -0.290 118.726 119.070 -0.090 0.000 2.363 23 H HA 0.042 4.618 4.556 0.033 0.000 0.301 23 H C 1.793 177.095 175.328 -0.042 0.000 1.074 23 H CA 1.529 57.509 56.048 -0.112 0.000 1.354 23 H CB 0.021 29.729 29.762 -0.091 0.000 1.397 23 H HN 0.227 nan 8.280 nan 0.000 0.516 24 A N 0.954 123.767 122.820 -0.012 0.000 1.968 24 A HA 0.036 4.377 4.320 0.034 0.000 0.217 24 A C 1.006 178.566 177.584 -0.041 0.000 1.169 24 A CA 0.555 52.578 52.037 -0.023 0.000 0.638 24 A CB 0.008 19.042 19.000 0.056 0.000 0.812 24 A HN 0.178 nan 8.150 nan 0.000 0.446 25 K N -0.371 120.020 120.400 -0.015 0.000 2.090 25 K HA 0.531 4.872 4.320 0.034 0.000 0.249 25 K C -0.744 175.862 176.600 0.010 0.000 0.995 25 K CA -0.442 55.852 56.287 0.013 0.000 0.914 25 K CB 0.955 33.477 32.500 0.036 0.000 1.057 25 K HN 0.216 nan 8.250 nan 0.000 0.462 26 I N 1.963 122.552 120.570 0.032 0.000 2.287 26 I HA 0.042 4.232 4.170 0.034 0.000 0.290 26 I C 0.305 176.438 176.117 0.027 0.000 1.069 26 I CA -0.625 60.693 61.300 0.030 0.000 1.237 26 I CB 0.686 38.737 38.000 0.086 0.000 1.418 26 I HN 0.412 nan 8.210 nan 0.000 0.481 27 E N 7.059 127.279 120.200 0.034 0.000 2.104 27 E HA 0.177 4.547 4.350 0.034 0.000 0.278 27 E C -0.019 176.576 176.600 -0.008 0.000 1.127 27 E CA 0.274 56.691 56.400 0.029 0.000 0.897 27 E CB 0.501 30.237 29.700 0.059 0.000 1.043 27 E HN 0.582 nan 8.360 nan 0.000 0.410 28 L N 5.011 126.232 121.223 -0.003 0.000 2.808 28 L HA 0.340 4.700 4.340 0.034 0.000 0.246 28 L C 0.263 177.131 176.870 -0.003 0.000 1.153 28 L CA -0.403 54.434 54.840 -0.005 0.000 0.956 28 L CB 0.114 42.171 42.059 -0.004 0.000 1.270 28 L HN 0.534 nan 8.230 nan 0.000 0.528 29 I N 1.075 121.643 120.570 -0.004 0.000 2.662 29 I HA -0.072 4.118 4.170 0.034 0.000 0.285 29 I C 1.636 177.776 176.117 0.038 0.000 1.161 29 I CA 0.040 61.348 61.300 0.013 0.000 1.415 29 I CB 1.368 39.374 38.000 0.009 0.000 1.385 29 I HN 0.156 nan 8.210 nan 0.000 0.552 30 A N 4.574 127.446 122.820 0.087 0.000 2.070 30 A HA -0.145 4.195 4.320 0.034 0.000 0.220 30 A C 2.160 179.889 177.584 0.242 0.000 1.159 30 A CA 1.788 53.929 52.037 0.174 0.000 0.656 30 A CB -0.417 18.673 19.000 0.150 0.000 0.800 30 A HN 0.809 nan 8.150 nan 0.000 0.453 31 S N -0.713 115.075 115.700 0.147 0.000 2.548 31 S HA 0.116 4.606 4.470 0.034 0.000 0.215 31 S C 0.384 174.967 174.600 -0.027 0.000 0.976 31 S CA -0.290 57.886 58.200 -0.040 0.000 0.908 31 S CB 0.059 63.234 63.200 -0.041 0.000 0.781 31 S HN 0.460 nan 8.310 nan 0.000 0.519 32 E N 2.087 122.267 120.200 -0.033 0.000 2.318 32 E HA 0.520 4.891 4.350 0.034 0.000 0.265 32 E C -0.354 176.123 176.600 -0.205 0.000 1.069 32 E CA -0.315 56.011 56.400 -0.124 0.000 0.893 32 E CB 0.760 30.352 29.700 -0.181 0.000 1.076 32 E HN 0.246 nan 8.360 nan 0.000 0.414 33 N N -0.000 118.494 118.700 -0.342 0.000 3.277 33 N HA 0.374 5.134 4.740 0.034 0.000 0.278 33 N C -1.815 173.302 175.510 -0.655 0.000 1.544 33 N CA -0.512 52.293 53.050 -0.408 0.000 0.869 33 N CB 0.879 39.315 38.487 -0.084 0.000 1.584 33 N HN 0.159 nan 8.380 nan 0.000 0.564 34 F N 0.968 120.926 119.950 0.013 0.000 2.507 34 F HA 0.385 4.928 4.527 0.026 0.000 0.328 34 F C 0.579 176.373 175.800 -0.010 0.000 1.136 34 F CA -0.889 57.109 58.000 -0.003 0.000 0.930 34 F CB 1.298 40.289 39.000 -0.015 0.000 1.166 34 F HN 0.137 nan 8.300 nan 0.000 0.436 35 V N 0.431 120.437 119.914 0.154 0.000 2.953 35 V HA 0.653 4.793 4.120 0.034 0.000 0.304 35 V C 0.434 176.571 176.094 0.072 0.000 1.073 35 V CA -0.863 61.486 62.300 0.081 0.000 1.064 35 V CB 1.139 32.990 31.823 0.046 0.000 1.047 35 V HN 0.863 nan 8.190 nan 0.000 0.478 36 S N 3.255 118.978 115.700 0.038 0.000 2.580 36 S HA 0.216 4.707 4.470 0.034 0.000 0.266 36 S C 0.952 175.566 174.600 0.022 0.000 1.354 36 S CA 0.174 58.389 58.200 0.025 0.000 1.008 36 S CB 0.343 63.551 63.200 0.012 0.000 0.898 36 S HN 0.796 nan 8.310 nan 0.000 0.555 37 R N 1.077 121.587 120.500 0.018 0.000 2.115 37 R HA -0.047 4.313 4.340 0.034 0.000 0.230 37 R C 2.611 178.917 176.300 0.011 0.000 1.111 37 R CA 1.265 57.375 56.100 0.016 0.000 0.976 37 R CB -0.926 29.382 30.300 0.013 0.000 0.870 37 R HN 0.832 nan 8.270 nan 0.000 0.445 38 A N 0.596 123.419 122.820 0.006 0.000 1.902 38 A HA -0.125 4.216 4.320 0.034 0.000 0.217 38 A C 2.308 179.888 177.584 -0.007 0.000 1.181 38 A CA 1.373 53.409 52.037 -0.001 0.000 0.623 38 A CB -0.535 18.463 19.000 -0.004 0.000 0.818 38 A HN 0.118 nan 8.150 nan 0.000 0.443 39 V N -0.090 119.818 119.914 -0.011 0.000 2.295 39 V HA -0.327 3.813 4.120 0.034 0.000 0.246 39 V C 2.663 178.751 176.094 -0.010 0.000 1.049 39 V CA 2.342 64.628 62.300 -0.023 0.000 1.024 39 V CB -0.655 31.154 31.823 -0.024 0.000 0.648 39 V HN 0.585 nan 8.190 nan 0.000 0.447 40 M N -0.845 118.759 119.600 0.006 0.000 2.175 40 M HA -0.192 4.309 4.480 0.034 0.000 0.264 40 M C 2.191 178.503 176.300 0.021 0.000 1.063 40 M CA 1.784 57.094 55.300 0.017 0.000 1.119 40 M CB -0.503 32.112 32.600 0.027 0.000 1.377 40 M HN 0.370 nan 8.290 nan 0.000 0.415 41 E N 0.489 120.698 120.200 0.016 0.000 2.077 41 E HA -0.177 4.194 4.350 0.034 0.000 0.193 41 E C 2.103 178.713 176.600 0.017 0.000 0.989 41 E CA 1.277 57.687 56.400 0.016 0.000 0.800 41 E CB -0.164 29.543 29.700 0.011 0.000 0.746 41 E HN 0.511 nan 8.360 nan 0.000 0.452 42 A N 1.328 124.154 122.820 0.009 0.000 1.908 42 A HA -0.258 4.083 4.320 0.034 0.000 0.218 42 A C 2.054 179.664 177.584 0.043 0.000 1.181 42 A CA 1.417 53.461 52.037 0.011 0.000 0.627 42 A CB -0.425 18.566 19.000 -0.015 0.000 0.818 42 A HN 0.195 nan 8.150 nan 0.000 0.445 43 Q N -1.034 118.792 119.800 0.044 0.000 2.224 43 Q HA -0.074 4.286 4.340 0.034 0.000 0.203 43 Q C 1.745 177.827 176.000 0.136 0.000 0.970 43 Q CA 1.006 56.871 55.803 0.102 0.000 0.865 43 Q CB -0.283 28.490 28.738 0.058 0.000 0.922 43 Q HN 0.657 nan 8.270 nan 0.000 0.445 44 G N 1.266 110.105 108.800 0.064 0.000 3.262 44 G HA2 0.024 4.004 3.960 0.034 0.000 0.228 44 G HA3 0.024 4.004 3.960 0.034 0.000 0.228 44 G C 0.343 175.245 174.900 0.003 0.000 1.197 44 G CA 0.022 45.141 45.100 0.031 0.000 0.819 44 G HN 0.260 nan 8.290 nan 0.000 0.531 45 S N -0.746 114.963 115.700 0.015 0.000 2.669 45 S HA 0.264 4.755 4.470 0.034 0.000 0.270 45 S C 1.608 176.180 174.600 -0.047 0.000 1.225 45 S CA 0.022 58.219 58.200 -0.005 0.000 0.991 45 S CB 1.582 64.794 63.200 0.019 0.000 0.987 45 S HN 0.570 nan 8.310 nan 0.000 0.552 46 V N -0.471 119.415 119.914 -0.045 0.000 3.241 46 V HA -0.009 4.131 4.120 0.034 0.000 0.269 46 V C 1.693 177.755 176.094 -0.053 0.000 1.151 46 V CA 0.978 63.240 62.300 -0.063 0.000 1.158 46 V CB -1.407 30.387 31.823 -0.048 0.000 0.764 46 V HN 0.702 nan 8.190 nan 0.000 0.508 47 L N 0.951 122.165 121.223 -0.015 0.000 2.353 47 L HA -0.097 4.263 4.340 0.034 0.000 0.220 47 L C 2.748 179.620 176.870 0.004 0.000 1.133 47 L CA 2.293 57.151 54.840 0.031 0.000 0.798 47 L CB -1.390 40.725 42.059 0.094 0.000 0.922 47 L HN 0.524 nan 8.230 nan 0.000 0.445 48 T N -0.947 113.471 114.554 -0.227 0.000 2.897 48 T HA -0.190 4.180 4.350 0.034 0.000 0.271 48 T C 1.561 176.159 174.700 -0.171 0.000 1.084 48 T CA 1.753 63.583 62.100 -0.451 0.000 1.123 48 T CB -0.402 67.978 68.868 -0.814 0.000 0.865 48 T HN 0.541 nan 8.240 nan 0.000 0.496 49 N N -0.093 118.541 118.700 -0.110 0.000 2.515 49 N HA 0.037 4.798 4.740 0.034 0.000 0.185 49 N C 0.331 175.825 175.510 -0.027 0.000 1.109 49 N CA 0.174 53.181 53.050 -0.071 0.000 0.903 49 N CB 0.182 38.632 38.487 -0.062 0.000 0.969 49 N HN 0.134 nan 8.380 nan 0.000 0.450 50 K N 0.824 121.228 120.400 0.007 0.000 2.240 50 K HA 0.125 4.465 4.320 0.034 0.000 0.271 50 K C -1.454 175.196 176.600 0.084 0.000 1.018 50 K CA -0.628 55.682 56.287 0.039 0.000 0.874 50 K CB 0.260 32.786 32.500 0.044 0.000 1.098 50 K HN -0.095 nan 8.250 nan 0.000 0.458 51 Y N 3.105 123.329 120.300 -0.125 0.000 2.436 51 Y HA 0.402 4.970 4.550 0.031 0.000 0.336 51 Y C -0.042 175.772 175.900 -0.143 0.000 1.049 51 Y CA -0.590 57.392 58.100 -0.197 0.000 1.294 51 Y CB 0.938 39.169 38.460 -0.380 0.000 1.179 51 Y HN 0.670 nan 8.280 nan 0.000 0.520 52 A N 6.087 128.713 122.820 -0.323 0.000 2.806 52 A HA 0.181 4.522 4.320 0.034 0.000 0.266 52 A C -0.005 177.329 177.584 -0.416 0.000 0.926 52 A CA -0.555 51.320 52.037 -0.270 0.000 1.068 52 A CB -0.304 18.622 19.000 -0.122 0.000 1.189 52 A HN 0.768 nan 8.150 nan 0.000 0.481 53 Q N 0.435 119.805 119.800 -0.717 0.000 2.286 53 Q HA 0.378 4.739 4.340 0.034 0.000 0.290 53 Q C 0.918 176.631 176.000 -0.477 0.000 1.049 53 Q CA 1.812 57.114 55.803 -0.835 0.000 0.923 53 Q CB 0.389 28.567 28.738 -0.933 0.000 1.183 53 Q HN 1.365 nan 8.270 nan 0.000 0.383 54 G N 2.105 110.510 108.800 -0.658 0.000 2.416 54 G HA2 -0.234 3.747 3.960 0.034 0.000 0.203 54 G HA3 -0.234 3.747 3.960 0.034 0.000 0.203 54 G C -1.748 172.875 174.900 -0.460 0.000 1.227 54 G CA -0.472 44.597 45.100 -0.053 0.000 1.041 54 G HN 0.594 nan 8.290 nan 0.000 0.546 55 Y N 0.002 120.373 120.300 0.117 0.000 2.605 55 Y HA 0.603 5.174 4.550 0.035 0.000 0.343 55 Y C -2.046 173.879 175.900 0.042 0.000 1.036 55 Y CA -1.848 56.300 58.100 0.080 0.000 1.065 55 Y CB 2.076 40.609 38.460 0.120 0.000 1.288 55 Y HN 0.417 nan 8.280 nan 0.000 0.481 56 P HA 0.029 nan 4.420 nan 0.000 0.260 56 P C 0.591 177.939 177.300 0.080 0.000 1.172 56 P CA 2.051 65.211 63.100 0.100 0.000 0.760 56 P CB 0.165 31.926 31.700 0.101 0.000 0.773 57 G N 3.260 112.079 108.800 0.032 0.000 2.189 57 G HA2 -0.283 3.697 3.960 0.034 0.000 0.267 57 G HA3 -0.283 3.697 3.960 0.034 0.000 0.267 57 G C 0.547 175.449 174.900 0.004 0.000 0.975 57 G CA -0.176 44.929 45.100 0.009 0.000 0.644 57 G HN 0.565 nan 8.290 nan 0.000 0.537 58 R N -0.168 120.348 120.500 0.028 0.000 2.711 58 R HA 0.216 4.576 4.340 0.034 0.000 0.350 58 R C 0.378 176.662 176.300 -0.026 0.000 1.146 58 R CA -0.501 55.600 56.100 0.002 0.000 1.190 58 R CB 0.368 30.714 30.300 0.077 0.000 1.312 58 R HN 0.236 nan 8.270 nan 0.000 0.635 59 R N -0.075 120.391 120.500 -0.058 0.000 2.528 59 R HA 0.223 4.584 4.340 0.034 0.000 0.271 59 R C 0.696 176.907 176.300 -0.148 0.000 1.056 59 R CA -0.292 55.786 56.100 -0.037 0.000 1.117 59 R CB 0.520 30.808 30.300 -0.020 0.000 1.085 59 R HN 0.194 nan 8.270 nan 0.000 0.530 60 Y N -0.250 119.979 120.300 -0.119 0.000 2.482 60 Y HA 0.106 4.676 4.550 0.033 0.000 0.270 60 Y C -0.083 175.452 175.900 -0.609 0.000 1.152 60 Y CA 0.348 58.272 58.100 -0.294 0.000 1.292 60 Y CB 0.383 38.675 38.460 -0.279 0.000 1.070 60 Y HN 0.411 nan 8.280 nan 0.000 0.528 61 Y N -0.891 119.407 120.300 -0.003 0.000 2.512 61 Y HA 0.571 5.143 4.550 0.037 0.000 0.348 61 Y C 0.738 176.620 175.900 -0.031 0.000 0.990 61 Y CA -1.751 56.343 58.100 -0.009 0.000 1.033 61 Y CB 1.080 39.526 38.460 -0.024 0.000 1.259 61 Y HN -0.125 nan 8.280 nan 0.000 0.461 62 G N -0.058 108.818 108.800 0.127 0.000 2.653 62 G HA2 0.392 4.372 3.960 0.034 0.000 0.265 62 G HA3 0.392 4.372 3.960 0.034 0.000 0.265 62 G C 0.855 175.787 174.900 0.053 0.000 1.237 62 G CA -0.086 45.048 45.100 0.055 0.000 0.946 62 G HN 1.459 nan 8.290 nan 0.000 0.522 63 G N -2.475 106.329 108.800 0.006 0.000 2.155 63 G HA2 -0.303 3.678 3.960 0.034 0.000 0.257 63 G HA3 -0.303 3.678 3.960 0.034 0.000 0.257 63 G C 0.940 175.819 174.900 -0.035 0.000 0.983 63 G CA 0.660 45.756 45.100 -0.007 0.000 0.676 63 G HN 0.946 nan 8.290 nan 0.000 0.528 64 C N 0.428 119.696 119.300 -0.054 0.000 2.578 64 C HA 0.337 4.817 4.460 0.034 0.000 0.285 64 C C 2.255 177.164 174.990 -0.134 0.000 1.297 64 C CA 0.448 59.430 59.018 -0.059 0.000 1.690 64 C CB -0.703 27.017 27.740 -0.033 0.000 1.773 64 C HN 0.642 nan 8.230 nan 0.000 0.594 65 E N 0.659 120.682 120.200 -0.295 0.000 2.130 65 E HA -0.197 4.173 4.350 0.034 0.000 0.196 65 E C 1.208 177.571 176.600 -0.396 0.000 0.998 65 E CA 1.784 57.921 56.400 -0.439 0.000 0.806 65 E CB -0.210 29.058 29.700 -0.721 0.000 0.738 65 E HN 0.804 nan 8.360 nan 0.000 0.459 66 Y N -0.800 119.507 120.300 0.012 0.000 2.301 66 Y HA -0.054 4.516 4.550 0.034 0.000 0.295 66 Y C 2.357 178.264 175.900 0.011 0.000 1.119 66 Y CA 0.422 58.529 58.100 0.011 0.000 1.162 66 Y CB -0.350 38.115 38.460 0.008 0.000 1.046 66 Y HN 0.001 nan 8.280 nan 0.000 0.538 67 V N -1.545 118.445 119.914 0.126 0.000 2.594 67 V HA -0.225 3.916 4.120 0.034 0.000 0.253 67 V C 1.328 177.448 176.094 0.043 0.000 1.069 67 V CA 2.119 64.462 62.300 0.072 0.000 1.082 67 V CB -0.509 31.343 31.823 0.048 0.000 0.680 67 V HN 0.211 nan 8.190 nan 0.000 0.469 68 D N 0.949 121.362 120.400 0.021 0.000 2.117 68 D HA -0.073 4.587 4.640 0.034 0.000 0.197 68 D C 2.058 178.383 176.300 0.041 0.000 0.987 68 D CA 1.951 55.964 54.000 0.021 0.000 0.829 68 D CB -0.279 40.517 40.800 -0.006 0.000 0.961 68 D HN 0.549 nan 8.370 nan 0.000 0.460 69 I N 0.218 120.821 120.570 0.055 0.000 2.179 69 I HA -0.241 3.949 4.170 0.034 0.000 0.242 69 I C 2.399 178.553 176.117 0.062 0.000 1.088 69 I CA 0.614 61.955 61.300 0.068 0.000 1.357 69 I CB -0.320 37.740 38.000 0.101 0.000 1.051 69 I HN -0.100 nan 8.210 nan 0.000 0.409 70 V N 0.838 120.789 119.914 0.063 0.000 2.282 70 V HA -0.349 3.791 4.120 0.034 0.000 0.249 70 V C 2.525 178.642 176.094 0.039 0.000 1.057 70 V CA 2.423 64.749 62.300 0.044 0.000 1.032 70 V CB -0.696 31.151 31.823 0.040 0.000 0.645 70 V HN 0.506 nan 8.190 nan 0.000 0.447 71 E N -0.424 119.803 120.200 0.044 0.000 2.106 71 E HA -0.216 4.154 4.350 0.034 0.000 0.192 71 E C 2.254 178.898 176.600 0.072 0.000 0.984 71 E CA 1.123 57.555 56.400 0.054 0.000 0.806 71 E CB -0.020 29.713 29.700 0.056 0.000 0.750 71 E HN 0.571 nan 8.360 nan 0.000 0.458 72 E N 0.442 120.683 120.200 0.068 0.000 2.106 72 E HA -0.153 4.218 4.350 0.034 0.000 0.192 72 E C 2.297 178.939 176.600 0.070 0.000 0.984 72 E CA 0.569 57.010 56.400 0.068 0.000 0.806 72 E CB -0.082 29.654 29.700 0.059 0.000 0.750 72 E HN 0.395 nan 8.360 nan 0.000 0.458 73 L N 0.578 121.840 121.223 0.065 0.000 2.012 73 L HA -0.206 4.154 4.340 0.034 0.000 0.210 73 L C 2.604 179.540 176.870 0.109 0.000 1.073 73 L CA 1.293 56.175 54.840 0.069 0.000 0.748 73 L CB -0.553 41.536 42.059 0.051 0.000 0.891 73 L HN 0.073 nan 8.230 nan 0.000 0.431 74 A N 0.059 122.948 122.820 0.115 0.000 1.883 74 A HA -0.216 4.125 4.320 0.034 0.000 0.217 74 A C 2.386 180.147 177.584 0.295 0.000 1.186 74 A CA 1.622 53.791 52.037 0.220 0.000 0.624 74 A CB -0.489 18.576 19.000 0.108 0.000 0.822 74 A HN 0.333 nan 8.150 nan 0.000 0.444 75 R N -0.721 119.872 120.500 0.156 0.000 2.066 75 R HA -0.088 4.273 4.340 0.034 0.000 0.232 75 R C 2.057 178.388 176.300 0.051 0.000 1.131 75 R CA 1.301 57.451 56.100 0.083 0.000 0.955 75 R CB -0.331 29.988 30.300 0.031 0.000 0.851 75 R HN 0.467 nan 8.270 nan 0.000 0.432 76 E N 0.715 120.951 120.200 0.061 0.000 2.106 76 E HA -0.134 4.236 4.350 0.034 0.000 0.192 76 E C 2.030 178.648 176.600 0.030 0.000 0.984 76 E CA 1.076 57.499 56.400 0.039 0.000 0.806 76 E CB -0.075 29.650 29.700 0.041 0.000 0.750 76 E HN 0.298 nan 8.360 nan 0.000 0.458 77 R N 0.413 120.955 120.500 0.070 0.000 2.092 77 R HA 0.002 4.363 4.340 0.034 0.000 0.231 77 R C 2.314 178.570 176.300 -0.072 0.000 1.119 77 R CA 1.093 57.225 56.100 0.054 0.000 0.970 77 R CB -0.237 30.165 30.300 0.170 0.000 0.864 77 R HN 0.088 nan 8.270 nan 0.000 0.440 78 A N 1.475 124.218 122.820 -0.129 0.000 1.898 78 A HA -0.176 4.164 4.320 0.034 0.000 0.216 78 A C 1.873 179.403 177.584 -0.089 0.000 1.181 78 A CA 1.325 53.156 52.037 -0.343 0.000 0.620 78 A CB -0.208 18.568 19.000 -0.372 0.000 0.819 78 A HN 0.175 nan 8.150 nan 0.000 0.442 79 K N -0.704 119.670 120.400 -0.044 0.000 2.057 79 K HA -0.192 4.149 4.320 0.034 0.000 0.207 79 K C 2.399 178.986 176.600 -0.023 0.000 1.049 79 K CA 1.585 57.868 56.287 -0.007 0.000 0.931 79 K CB -0.168 32.331 32.500 -0.001 0.000 0.714 79 K HN 0.650 nan 8.250 nan 0.000 0.440 80 Q N 0.927 120.696 119.800 -0.051 0.000 2.084 80 Q HA -0.142 4.218 4.340 0.034 0.000 0.202 80 Q C 2.119 178.037 176.000 -0.136 0.000 0.978 80 Q CA 1.173 56.935 55.803 -0.068 0.000 0.844 80 Q CB 0.018 28.724 28.738 -0.054 0.000 0.898 80 Q HN 0.316 nan 8.270 nan 0.000 0.426 81 L N -0.744 120.326 121.223 -0.254 0.000 2.046 81 L HA -0.155 4.205 4.340 0.034 0.000 0.208 81 L C 1.369 177.887 176.870 -0.588 0.000 1.077 81 L CA 1.125 55.654 54.840 -0.519 0.000 0.747 81 L CB -0.032 41.489 42.059 -0.896 0.000 0.896 81 L HN 0.260 nan 8.230 nan 0.000 0.432 82 F N -1.142 118.742 119.950 -0.110 0.000 2.682 82 F HA 0.318 4.864 4.527 0.032 0.000 0.308 82 F C 1.545 177.309 175.800 -0.059 0.000 1.093 82 F CA 0.259 58.208 58.000 -0.084 0.000 1.244 82 F CB 0.093 39.021 39.000 -0.120 0.000 1.052 82 F HN 0.048 nan 8.300 nan 0.000 0.573 83 G N 1.444 110.283 108.800 0.065 0.000 2.273 83 G HA2 -0.090 3.890 3.960 0.034 0.000 0.280 83 G HA3 -0.090 3.890 3.960 0.034 0.000 0.280 83 G C 0.219 175.143 174.900 0.040 0.000 1.047 83 G CA 0.132 45.254 45.100 0.035 0.000 0.869 83 G HN 0.655 nan 8.290 nan 0.000 0.502 84 A N -0.972 121.881 122.820 0.055 0.000 2.295 84 A HA 0.801 5.141 4.320 0.034 0.000 0.318 84 A C 1.010 178.617 177.584 0.039 0.000 1.134 84 A CA 0.331 52.392 52.037 0.040 0.000 0.827 84 A CB 0.735 19.756 19.000 0.035 0.000 1.136 84 A HN 0.371 nan 8.150 nan 0.000 0.493 85 E N -0.313 119.918 120.200 0.053 0.000 2.158 85 E HA -0.033 4.337 4.350 0.034 0.000 0.191 85 E C 0.161 176.841 176.600 0.133 0.000 0.982 85 E CA 0.748 57.190 56.400 0.069 0.000 0.823 85 E CB 0.121 29.855 29.700 0.055 0.000 0.766 85 E HN 0.681 nan 8.360 nan 0.000 0.468 86 H N -1.085 117.999 119.070 0.023 0.000 2.894 86 H HA 0.588 5.165 4.556 0.035 0.000 0.367 86 H C -1.803 173.543 175.328 0.031 0.000 1.144 86 H CA -0.622 55.443 56.048 0.028 0.000 1.180 86 H CB 2.001 31.785 29.762 0.037 0.000 1.758 86 H HN 0.031 nan 8.280 nan 0.000 0.541 87 A N 3.722 126.199 122.820 -0.572 0.000 2.414 87 A HA 0.340 4.680 4.320 0.034 0.000 0.306 87 A C -1.038 176.248 177.584 -0.497 0.000 1.054 87 A CA -0.869 50.943 52.037 -0.375 0.000 0.724 87 A CB 1.297 20.204 19.000 -0.156 0.000 1.267 87 A HN 0.810 nan 8.150 nan 0.000 0.418 88 N N 1.259 119.848 118.700 -0.185 0.000 2.479 88 N HA 0.422 5.183 4.740 0.034 0.000 0.261 88 N C 0.204 175.747 175.510 0.054 0.000 0.979 88 N CA -0.512 52.533 53.050 -0.009 0.000 0.930 88 N CB 1.511 40.058 38.487 0.101 0.000 1.172 88 N HN 0.552 nan 8.380 nan 0.000 0.499 89 V N 0.894 120.866 119.914 0.095 0.000 3.542 89 V HA 0.163 4.304 4.120 0.034 0.000 0.296 89 V C 1.159 177.293 176.094 0.068 0.000 1.364 89 V CA 0.341 62.709 62.300 0.112 0.000 1.118 89 V CB 0.009 31.929 31.823 0.161 0.000 0.972 89 V HN 0.676 nan 8.190 nan 0.000 0.430 90 Q N 0.709 120.546 119.800 0.062 0.000 2.389 90 Q HA 0.153 4.514 4.340 0.034 0.000 0.204 90 Q C -1.548 174.384 176.000 -0.114 0.000 0.944 90 Q CA -0.305 55.485 55.803 -0.021 0.000 0.908 90 Q CB -0.931 27.788 28.738 -0.033 0.000 1.002 90 Q HN 0.554 nan 8.270 nan 0.000 0.493 91 P HA -0.110 nan 4.420 nan 0.000 0.262 91 P C -0.093 177.162 177.300 -0.075 0.000 1.182 91 P CA 0.583 63.612 63.100 -0.119 0.000 0.761 91 P CB 0.436 32.113 31.700 -0.040 0.000 0.795 92 H N 0.481 119.546 119.070 -0.008 0.000 2.491 92 H HA 0.021 4.598 4.556 0.034 0.000 0.290 92 H C 0.935 176.262 175.328 -0.003 0.000 1.050 92 H CA 1.115 57.152 56.048 -0.019 0.000 1.309 92 H CB 0.088 29.834 29.762 -0.026 0.000 1.392 92 H HN 0.492 nan 8.280 nan 0.000 0.554 93 S N -2.784 112.986 115.700 0.116 0.000 2.595 93 S HA 0.385 4.875 4.470 0.034 0.000 0.270 93 S C 1.280 175.925 174.600 0.074 0.000 1.145 93 S CA -0.372 57.893 58.200 0.108 0.000 0.825 93 S CB 1.137 64.400 63.200 0.105 0.000 1.107 93 S HN 0.104 nan 8.310 nan 0.000 0.461 94 G N 0.976 109.823 108.800 0.079 0.000 2.469 94 G HA2 -0.008 3.972 3.960 0.034 0.000 0.219 94 G HA3 -0.008 3.972 3.960 0.034 0.000 0.219 94 G C 1.517 176.442 174.900 0.043 0.000 1.150 94 G CA 1.335 46.445 45.100 0.016 0.000 0.763 94 G HN 1.415 nan 8.290 nan 0.000 0.561 95 A N 0.054 122.938 122.820 0.106 0.000 1.883 95 A HA -0.106 4.235 4.320 0.034 0.000 0.217 95 A C 2.393 180.033 177.584 0.094 0.000 1.186 95 A CA 2.238 54.381 52.037 0.176 0.000 0.624 95 A CB -0.431 18.693 19.000 0.206 0.000 0.822 95 A HN 0.349 nan 8.150 nan 0.000 0.444 96 Q N -0.479 119.335 119.800 0.023 0.000 2.167 96 Q HA 0.092 4.453 4.340 0.034 0.000 0.202 96 Q C 2.284 178.247 176.000 -0.060 0.000 0.970 96 Q CA 1.556 57.330 55.803 -0.049 0.000 0.855 96 Q CB -0.683 28.031 28.738 -0.040 0.000 0.911 96 Q HN 0.647 nan 8.270 nan 0.000 0.438 97 A N 0.896 123.692 122.820 -0.041 0.000 1.883 97 A HA -0.255 4.086 4.320 0.034 0.000 0.217 97 A C 1.814 179.327 177.584 -0.119 0.000 1.186 97 A CA 1.851 53.850 52.037 -0.063 0.000 0.624 97 A CB -0.678 18.293 19.000 -0.049 0.000 0.822 97 A HN 0.357 nan 8.150 nan 0.000 0.444 98 N N -0.536 118.089 118.700 -0.125 0.000 2.084 98 N HA -0.177 4.583 4.740 0.034 0.000 0.190 98 N C 1.742 176.982 175.510 -0.449 0.000 1.030 98 N CA 1.733 54.587 53.050 -0.326 0.000 0.849 98 N CB -0.574 37.804 38.487 -0.182 0.000 1.012 98 N HN 0.630 nan 8.380 nan 0.000 0.423 99 M N 0.633 120.206 119.600 -0.046 0.000 2.108 99 M HA -0.218 4.283 4.480 0.034 0.000 0.257 99 M C 1.820 178.151 176.300 0.051 0.000 1.071 99 M CA 1.942 57.293 55.300 0.084 0.000 1.093 99 M CB -0.054 32.387 32.600 -0.266 0.000 1.345 99 M HN 0.211 nan 8.290 nan 0.000 0.403 100 A N -0.680 122.109 122.820 -0.052 0.000 1.898 100 A HA -0.093 4.247 4.320 0.034 0.000 0.216 100 A C 2.009 179.572 177.584 -0.034 0.000 1.181 100 A CA 1.719 53.752 52.037 -0.006 0.000 0.620 100 A CB -1.010 17.970 19.000 -0.033 0.000 0.819 100 A HN 0.434 nan 8.150 nan 0.000 0.442 101 V N -0.918 118.875 119.914 -0.202 0.000 2.295 101 V HA -0.275 3.865 4.120 0.034 0.000 0.246 101 V C 2.442 178.380 176.094 -0.260 0.000 1.049 101 V CA 1.902 63.959 62.300 -0.405 0.000 1.024 101 V CB -1.146 30.384 31.823 -0.489 0.000 0.648 101 V HN 0.624 nan 8.190 nan 0.000 0.447 102 Y N -0.753 119.473 120.300 -0.122 0.000 2.128 102 Y HA -0.225 4.346 4.550 0.036 0.000 0.284 102 Y C 2.320 178.201 175.900 -0.033 0.000 1.154 102 Y CA 1.088 59.098 58.100 -0.149 0.000 1.149 102 Y CB -1.291 37.196 38.460 0.045 0.000 0.976 102 Y HN 0.286 nan 8.280 nan 0.000 0.505 103 F N 0.648 120.691 119.950 0.156 0.000 2.216 103 F HA -0.203 4.345 4.527 0.036 0.000 0.300 103 F C 2.189 177.984 175.800 -0.007 0.000 1.085 103 F CA 1.827 59.898 58.000 0.117 0.000 1.326 103 F CB -0.454 38.599 39.000 0.088 0.000 1.027 103 F HN -0.041 nan 8.300 nan 0.000 0.497 104 T N -0.427 114.101 114.554 -0.042 0.000 2.701 104 T HA -0.137 4.233 4.350 0.034 0.000 0.263 104 T C 1.941 176.482 174.700 -0.265 0.000 1.040 104 T CA 2.139 64.128 62.100 -0.184 0.000 1.147 104 T CB -0.580 68.108 68.868 -0.300 0.000 0.865 104 T HN 0.240 nan 8.240 nan 0.000 0.426 105 V N -1.605 118.096 119.914 -0.355 0.000 3.643 105 V HA 0.487 4.627 4.120 0.034 0.000 0.280 105 V C 0.321 176.276 176.094 -0.230 0.000 1.351 105 V CA -0.115 61.955 62.300 -0.384 0.000 1.073 105 V CB -0.554 30.813 31.823 -0.759 0.000 0.863 105 V HN 0.236 nan 8.190 nan 0.000 0.436 106 L N 0.705 121.809 121.223 -0.197 0.000 2.342 106 L HA 0.682 5.042 4.340 0.034 0.000 0.271 106 L C -0.213 176.666 176.870 0.015 0.000 1.008 106 L CA -0.524 54.232 54.840 -0.140 0.000 0.818 106 L CB 2.211 44.030 42.059 -0.400 0.000 1.296 106 L HN 0.113 nan 8.230 nan 0.000 0.427 107 E N 0.087 120.332 120.200 0.076 0.000 2.227 107 E HA 0.199 4.569 4.350 0.034 0.000 0.268 107 E C -0.635 176.129 176.600 0.273 0.000 0.990 107 E CA -0.797 55.688 56.400 0.141 0.000 0.856 107 E CB 1.306 31.050 29.700 0.073 0.000 1.159 107 E HN 0.462 nan 8.360 nan 0.000 0.401 108 H N 0.809 119.962 119.070 0.138 0.000 3.167 108 H HA -0.117 4.459 4.556 0.034 0.000 0.306 108 H C 0.886 176.250 175.328 0.061 0.000 0.965 108 H CA 1.941 58.014 56.048 0.041 0.000 1.408 108 H CB 0.230 29.986 29.762 -0.010 0.000 1.406 108 H HN 0.839 nan 8.280 nan 0.000 0.576 109 G N 4.414 112.946 108.800 -0.447 0.000 2.199 109 G HA2 -0.256 3.725 3.960 0.034 0.000 0.254 109 G HA3 -0.256 3.725 3.960 0.034 0.000 0.254 109 G C 0.064 174.914 174.900 -0.083 0.000 0.982 109 G CA 0.254 45.163 45.100 -0.319 0.000 0.632 109 G HN 0.698 nan 8.290 nan 0.000 0.529 110 D N 1.348 121.761 120.400 0.020 0.000 2.423 110 D HA 0.421 5.082 4.640 0.034 0.000 0.238 110 D C 0.884 177.123 176.300 -0.102 0.000 1.142 110 D CA 0.795 54.779 54.000 -0.025 0.000 0.884 110 D CB 0.680 41.458 40.800 -0.038 0.000 1.199 110 D HN 0.122 nan 8.370 nan 0.000 0.438 111 T N 1.234 115.713 114.554 -0.125 0.000 2.869 111 T HA 0.414 4.784 4.350 0.034 0.000 0.295 111 T C -0.005 174.508 174.700 -0.311 0.000 0.987 111 T CA -0.505 61.484 62.100 -0.185 0.000 1.109 111 T CB 0.768 69.579 68.868 -0.094 0.000 0.932 111 T HN -0.002 nan 8.240 nan 0.000 0.518 112 V N 4.026 123.620 119.914 -0.533 0.000 2.789 112 V HA 0.531 4.671 4.120 0.034 0.000 0.311 112 V C -0.746 175.048 176.094 -0.499 0.000 1.073 112 V CA -1.043 60.828 62.300 -0.714 0.000 0.921 112 V CB 2.006 32.888 31.823 -1.567 0.000 1.009 112 V HN 0.657 nan 8.190 nan 0.000 0.426 113 L N 3.660 124.766 121.223 -0.195 0.000 2.287 113 L HA 0.960 5.320 4.340 0.034 0.000 0.287 113 L C 0.232 177.216 176.870 0.190 0.000 1.022 113 L CA 0.499 55.366 54.840 0.045 0.000 0.814 113 L CB 0.952 43.108 42.059 0.162 0.000 1.217 113 L HN 0.830 nan 8.230 nan 0.000 0.420 114 G N 3.986 112.886 108.800 0.165 0.000 2.733 114 G HA2 0.425 4.405 3.960 0.034 0.000 0.288 114 G HA3 0.425 4.405 3.960 0.034 0.000 0.288 114 G C -1.248 173.286 174.900 -0.609 0.000 1.373 114 G CA -0.964 44.172 45.100 0.060 0.000 0.895 114 G HN 0.653 nan 8.290 nan 0.000 0.479 115 M N 1.762 120.932 119.600 -0.716 0.000 2.219 115 M HA 0.147 4.648 4.480 0.034 0.000 0.353 115 M C 0.596 176.607 176.300 -0.482 0.000 1.304 115 M CA -0.610 54.121 55.300 -0.948 0.000 1.115 115 M CB 0.340 32.738 32.600 -0.336 0.000 1.664 115 M HN 0.583 nan 8.290 nan 0.000 0.459 116 N N 4.045 122.436 118.700 -0.516 0.000 2.223 116 N HA -0.114 4.647 4.740 0.034 0.000 0.271 116 N C 0.473 175.805 175.510 -0.296 0.000 1.315 116 N CA 0.231 53.019 53.050 -0.437 0.000 0.835 116 N CB 0.475 38.511 38.487 -0.751 0.000 1.066 116 N HN 0.709 nan 8.380 nan 0.000 0.486 117 L N 3.245 124.321 121.223 -0.246 0.000 2.127 117 L HA -0.150 4.210 4.340 0.034 0.000 0.211 117 L C 2.278 179.059 176.870 -0.149 0.000 1.089 117 L CA 1.428 56.153 54.840 -0.190 0.000 0.757 117 L CB -0.566 41.368 42.059 -0.207 0.000 0.899 117 L HN 0.545 nan 8.230 nan 0.000 0.434 118 S N -2.118 113.489 115.700 -0.155 0.000 2.515 118 S HA -0.068 4.423 4.470 0.034 0.000 0.231 118 S C 1.350 176.006 174.600 0.094 0.000 0.987 118 S CA 0.602 58.767 58.200 -0.058 0.000 0.936 118 S CB -0.484 62.681 63.200 -0.058 0.000 0.766 118 S HN 0.609 nan 8.310 nan 0.000 0.528 119 H N -0.630 118.340 119.070 -0.167 0.000 2.594 119 H HA 0.341 4.917 4.556 0.034 0.000 0.279 119 H C 1.522 176.816 175.328 -0.056 0.000 1.042 119 H CA 0.076 56.049 56.048 -0.125 0.000 1.177 119 H CB 0.633 30.309 29.762 -0.143 0.000 1.524 119 H HN 0.493 nan 8.280 nan 0.000 0.537 120 G N 0.661 109.485 108.800 0.040 0.000 2.260 120 G HA2 -0.205 3.775 3.960 0.034 0.000 0.179 120 G HA3 -0.205 3.775 3.960 0.034 0.000 0.179 120 G C 0.731 175.633 174.900 0.003 0.000 1.002 120 G CA -0.365 44.753 45.100 0.029 0.000 0.677 120 G HN 0.550 nan 8.290 nan 0.000 0.486 121 G N -0.247 108.533 108.800 -0.032 0.000 2.614 121 G HA2 0.432 4.413 3.960 0.034 0.000 0.239 121 G HA3 0.432 4.413 3.960 0.034 0.000 0.239 121 G C -0.103 174.738 174.900 -0.099 0.000 1.240 121 G CA 0.265 45.356 45.100 -0.014 0.000 0.842 121 G HN 0.501 nan 8.290 nan 0.000 0.584 122 H N 1.161 119.985 119.070 -0.410 0.000 2.482 122 H HA 0.138 4.714 4.556 0.034 0.000 0.344 122 H C 1.387 176.450 175.328 -0.442 0.000 1.151 122 H CA -0.913 54.796 56.048 -0.566 0.000 1.300 122 H CB 1.674 30.862 29.762 -0.956 0.000 1.494 122 H HN 0.311 nan 8.280 nan 0.000 0.542 123 L N 3.133 123.756 121.223 -0.999 0.000 2.051 123 L HA -0.230 4.131 4.340 0.034 0.000 0.214 123 L C 2.360 178.944 176.870 -0.477 0.000 1.076 123 L CA 2.652 57.087 54.840 -0.675 0.000 0.758 123 L CB -0.763 40.906 42.059 -0.650 0.000 0.890 123 L HN 0.852 nan 8.230 nan 0.000 0.433 124 T N -4.859 109.490 114.554 -0.341 0.000 3.194 124 T HA -0.030 4.341 4.350 0.034 0.000 0.251 124 T C 0.906 175.658 174.700 0.088 0.000 1.132 124 T CA 0.490 62.566 62.100 -0.041 0.000 1.028 124 T CB -0.956 68.100 68.868 0.313 0.000 0.976 124 T HN 0.618 nan 8.240 nan 0.000 0.535 125 H N 0.384 119.322 119.070 -0.221 0.000 2.550 125 H HA 0.486 5.062 4.556 0.034 0.000 0.304 125 H C 1.461 176.171 175.328 -1.030 0.000 1.086 125 H CA -0.434 55.419 56.048 -0.324 0.000 1.089 125 H CB 0.160 29.894 29.762 -0.046 0.000 1.528 125 H HN 0.532 nan 8.280 nan 0.000 0.539 126 G N 0.825 108.843 108.800 -1.302 0.000 2.198 126 G HA2 -0.277 3.703 3.960 0.034 0.000 0.156 126 G HA3 -0.277 3.703 3.960 0.034 0.000 0.156 126 G C 0.249 174.809 174.900 -0.566 0.000 1.012 126 G CA -0.052 44.222 45.100 -1.377 0.000 0.692 126 G HN 0.367 nan 8.290 nan 0.000 0.492 127 S N 1.555 116.991 115.700 -0.439 0.000 2.546 127 S HA 0.372 4.862 4.470 0.034 0.000 0.290 127 S C -0.012 174.463 174.600 -0.208 0.000 1.290 127 S CA 0.139 58.173 58.200 -0.276 0.000 1.069 127 S CB 1.109 64.159 63.200 -0.249 0.000 0.846 127 S HN 0.186 nan 8.310 nan 0.000 0.495 128 P HA -0.003 nan 4.420 nan 0.000 0.237 128 P C 0.970 178.236 177.300 -0.056 0.000 1.178 128 P CA 0.639 63.689 63.100 -0.083 0.000 0.766 128 P CB -0.297 31.370 31.700 -0.055 0.000 0.876 129 V N -4.387 115.491 119.914 -0.060 0.000 3.621 129 V HA 0.261 4.402 4.120 0.034 0.000 0.285 129 V C 0.755 176.836 176.094 -0.022 0.000 1.346 129 V CA -0.396 61.888 62.300 -0.026 0.000 1.104 129 V CB -0.957 30.862 31.823 -0.007 0.000 0.913 129 V HN 0.022 nan 8.190 nan 0.000 0.432 130 N N 0.572 119.231 118.700 -0.068 0.000 2.443 130 N HA 0.243 5.003 4.740 0.034 0.000 0.293 130 N C 0.997 176.479 175.510 -0.046 0.000 1.159 130 N CA -0.140 52.877 53.050 -0.055 0.000 0.904 130 N CB 2.156 40.533 38.487 -0.183 0.000 1.214 130 N HN 0.203 nan 8.380 nan 0.000 0.513 131 F N 2.009 121.977 119.950 0.031 0.000 2.154 131 F HA -0.174 4.374 4.527 0.034 0.000 0.301 131 F C 2.354 178.207 175.800 0.088 0.000 1.087 131 F CA 1.442 59.476 58.000 0.056 0.000 1.274 131 F CB -1.030 38.025 39.000 0.092 0.000 1.009 131 F HN 0.456 nan 8.300 nan 0.000 0.485 132 S N 0.634 115.734 115.700 -1.001 0.000 2.353 132 S HA -0.117 4.374 4.470 0.034 0.000 0.222 132 S C 2.320 176.832 174.600 -0.146 0.000 1.035 132 S CA 1.180 59.037 58.200 -0.572 0.000 1.025 132 S CB -1.754 61.002 63.200 -0.740 0.000 0.902 132 S HN 0.573 nan 8.310 nan 0.000 0.440 133 G N 0.585 109.226 108.800 -0.266 0.000 2.448 133 G HA2 0.036 4.016 3.960 0.034 0.000 0.218 133 G HA3 0.036 4.016 3.960 0.034 0.000 0.218 133 G C 1.389 176.272 174.900 -0.028 0.000 1.135 133 G CA 0.742 45.777 45.100 -0.108 0.000 0.784 133 G HN 0.489 nan 8.290 nan 0.000 0.543 134 V N 0.256 120.144 119.914 -0.045 0.000 2.488 134 V HA -0.104 4.036 4.120 0.034 0.000 0.246 134 V C 2.586 178.656 176.094 -0.040 0.000 1.046 134 V CA 2.063 64.356 62.300 -0.012 0.000 1.053 134 V CB 0.075 31.914 31.823 0.026 0.000 0.679 134 V HN 0.460 nan 8.190 nan 0.000 0.458 135 Q N -0.922 118.800 119.800 -0.130 0.000 2.302 135 Q HA 0.047 4.407 4.340 0.034 0.000 0.202 135 Q C -0.037 175.560 176.000 -0.672 0.000 0.936 135 Q CA 0.954 56.538 55.803 -0.364 0.000 0.886 135 Q CB 0.214 28.625 28.738 -0.545 0.000 0.986 135 Q HN 0.639 nan 8.270 nan 0.000 0.487 136 Y N -0.690 119.607 120.300 -0.005 0.000 2.570 136 Y HA 0.405 4.975 4.550 0.033 0.000 0.345 136 Y C -0.610 175.254 175.900 -0.060 0.000 1.014 136 Y CA -1.962 56.079 58.100 -0.099 0.000 1.063 136 Y CB 0.864 39.220 38.460 -0.174 0.000 1.272 136 Y HN -0.142 nan 8.280 nan 0.000 0.477 137 N N 1.326 120.028 118.700 0.003 0.000 2.602 137 N HA 0.230 4.990 4.740 0.034 0.000 0.238 137 N C -1.769 173.684 175.510 -0.095 0.000 1.084 137 N CA -0.074 52.956 53.050 -0.034 0.000 0.952 137 N CB -0.274 38.171 38.487 -0.070 0.000 1.244 137 N HN 0.411 nan 8.380 nan 0.000 0.512 138 F N 2.538 122.422 119.950 -0.109 0.000 2.410 138 F HA 0.291 4.839 4.527 0.034 0.000 0.348 138 F C 0.682 176.379 175.800 -0.172 0.000 1.106 138 F CA -0.472 57.447 58.000 -0.137 0.000 1.163 138 F CB 0.931 39.850 39.000 -0.134 0.000 1.129 138 F HN 0.140 nan 8.300 nan 0.000 0.516 139 V N 0.735 120.610 119.914 -0.065 0.000 2.919 139 V HA 0.979 5.120 4.120 0.034 0.000 0.316 139 V C -0.579 175.476 176.094 -0.064 0.000 1.077 139 V CA -1.156 61.041 62.300 -0.171 0.000 0.977 139 V CB 1.380 32.893 31.823 -0.517 0.000 1.039 139 V HN 0.881 nan 8.190 nan 0.000 0.441 140 A N 2.168 124.932 122.820 -0.093 0.000 2.365 140 A HA 0.917 5.257 4.320 0.034 0.000 0.318 140 A C -0.930 176.612 177.584 -0.070 0.000 1.091 140 A CA -0.717 51.231 52.037 -0.149 0.000 0.763 140 A CB 1.328 20.196 19.000 -0.220 0.000 1.248 140 A HN 1.501 nan 8.150 nan 0.000 0.442 141 Y N 0.094 120.388 120.300 -0.010 0.000 2.453 141 Y HA 0.840 5.411 4.550 0.034 0.000 0.326 141 Y C 0.465 176.339 175.900 -0.043 0.000 1.186 141 Y CA -0.909 57.185 58.100 -0.010 0.000 1.200 141 Y CB 0.908 39.374 38.460 0.009 0.000 1.247 141 Y HN 0.783 nan 8.280 nan 0.000 0.482 142 G N 0.193 109.122 108.800 0.215 0.000 2.685 142 G HA2 0.586 4.566 3.960 0.034 0.000 0.298 142 G HA3 0.586 4.566 3.960 0.034 0.000 0.298 142 G C -1.081 174.023 174.900 0.340 0.000 1.277 142 G CA -0.717 44.537 45.100 0.257 0.000 0.986 142 G HN 1.092 nan 8.290 nan 0.000 0.487 143 V N -1.766 118.417 119.914 0.448 0.000 2.837 143 V HA 0.498 4.638 4.120 0.034 0.000 0.310 143 V C 0.227 176.506 176.094 0.309 0.000 1.059 143 V CA -1.124 61.340 62.300 0.273 0.000 1.004 143 V CB 1.743 33.712 31.823 0.244 0.000 1.045 143 V HN 0.694 nan 8.190 nan 0.000 0.465 144 D N 3.818 124.341 120.400 0.204 0.000 2.458 144 D HA 0.114 4.775 4.640 0.034 0.000 0.243 144 D C -1.573 174.790 176.300 0.105 0.000 1.146 144 D CA -1.066 53.009 54.000 0.125 0.000 0.877 144 D CB 1.980 42.811 40.800 0.052 0.000 1.176 144 D HN 0.515 nan 8.370 nan 0.000 0.461 145 P HA -0.066 nan 4.420 nan 0.000 0.226 145 P C 0.722 177.903 177.300 -0.200 0.000 1.153 145 P CA 0.830 63.757 63.100 -0.289 0.000 0.777 145 P CB 0.585 31.846 31.700 -0.731 0.000 0.794 146 E N -0.560 119.500 120.200 -0.232 0.000 2.094 146 E HA -0.022 4.348 4.350 0.034 0.000 0.193 146 E C 1.968 178.272 176.600 -0.493 0.000 0.950 146 E CA 1.668 57.893 56.400 -0.291 0.000 0.842 146 E CB -0.530 29.074 29.700 -0.161 0.000 0.816 146 E HN 0.284 nan 8.360 nan 0.000 0.465 147 T N -1.732 112.633 114.554 -0.315 0.000 3.067 147 T HA -0.075 4.295 4.350 0.034 0.000 0.261 147 T C 0.565 175.144 174.700 -0.203 0.000 1.110 147 T CA 0.636 62.597 62.100 -0.233 0.000 1.113 147 T CB -0.185 68.648 68.868 -0.059 0.000 0.917 147 T HN 0.173 nan 8.240 nan 0.000 0.499 148 H N -0.696 118.424 119.070 0.085 0.000 3.010 148 H HA -0.114 4.462 4.556 0.034 0.000 0.272 148 H C -0.071 175.391 175.328 0.224 0.000 1.151 148 H CA 0.594 56.717 56.048 0.125 0.000 1.159 148 H CB -2.687 27.127 29.762 0.086 0.000 1.295 148 H HN 0.406 nan 8.280 nan 0.000 0.344 149 V N 1.713 121.788 119.914 0.268 0.000 2.607 149 V HA 0.163 4.303 4.120 0.034 0.000 0.289 149 V C 1.707 177.959 176.094 0.263 0.000 1.053 149 V CA -0.613 61.898 62.300 0.352 0.000 0.996 149 V CB 1.662 33.631 31.823 0.243 0.000 0.995 149 V HN 0.163 nan 8.190 nan 0.000 0.476 150 I N 3.566 124.256 120.570 0.201 0.000 2.906 150 I HA -0.082 4.108 4.170 0.034 0.000 0.301 150 I C 0.702 176.682 176.117 -0.229 0.000 1.221 150 I CA 0.639 61.843 61.300 -0.160 0.000 1.435 150 I CB 0.025 37.707 38.000 -0.530 0.000 1.345 150 I HN 0.641 nan 8.210 nan 0.000 0.558 151 D N 7.006 127.324 120.400 -0.138 0.000 2.393 151 D HA 0.043 4.703 4.640 0.034 0.000 0.232 151 D C 0.565 176.728 176.300 -0.228 0.000 1.192 151 D CA -0.048 53.909 54.000 -0.072 0.000 0.882 151 D CB 0.462 41.284 40.800 0.037 0.000 1.038 151 D HN 0.338 nan 8.370 nan 0.000 0.499 152 Y N 1.588 121.811 120.300 -0.129 0.000 2.352 152 Y HA -0.104 4.466 4.550 0.034 0.000 0.292 152 Y C 1.994 177.782 175.900 -0.187 0.000 1.136 152 Y CA 0.631 58.578 58.100 -0.255 0.000 1.227 152 Y CB 0.240 38.537 38.460 -0.272 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.190 120.218 120.400 0.014 0.000 2.183 153 D HA -0.166 4.495 4.640 0.034 0.000 0.203 153 D C 1.530 177.822 176.300 -0.013 0.000 0.969 153 D CA 1.398 55.397 54.000 -0.003 0.000 0.842 153 D CB -0.208 40.600 40.800 0.012 0.000 0.957 153 D HN 0.402 nan 8.370 nan 0.000 0.484 154 D N 0.420 120.812 120.400 -0.012 0.000 2.117 154 D HA -0.116 4.544 4.640 0.034 0.000 0.198 154 D C 2.144 178.447 176.300 0.006 0.000 0.982 154 D CA 0.521 54.534 54.000 0.023 0.000 0.828 154 D CB 0.165 41.008 40.800 0.071 0.000 0.967 154 D HN -0.102 nan 8.370 nan 0.000 0.464 155 V N 0.554 120.390 119.914 -0.130 0.000 2.282 155 V HA -0.267 3.874 4.120 0.034 0.000 0.249 155 V C 2.628 178.661 176.094 -0.101 0.000 1.057 155 V CA 2.177 64.332 62.300 -0.243 0.000 1.032 155 V CB -0.639 30.770 31.823 -0.691 0.000 0.645 155 V HN 0.227 nan 8.190 nan 0.000 0.447 156 R N -0.111 120.332 120.500 -0.095 0.000 2.081 156 R HA -0.218 4.142 4.340 0.034 0.000 0.235 156 R C 2.440 178.736 176.300 -0.006 0.000 1.131 156 R CA 2.071 58.145 56.100 -0.044 0.000 0.960 156 R CB -0.281 29.994 30.300 -0.042 0.000 0.856 156 R HN 0.703 nan 8.270 nan 0.000 0.436 157 E N 0.207 120.409 120.200 0.004 0.000 2.047 157 E HA -0.197 4.173 4.350 0.034 0.000 0.191 157 E C 1.569 178.188 176.600 0.031 0.000 0.987 157 E CA 1.084 57.491 56.400 0.011 0.000 0.799 157 E CB 0.172 29.882 29.700 0.016 0.000 0.752 157 E HN 0.145 nan 8.360 nan 0.000 0.449 158 K N 0.392 120.845 120.400 0.089 0.000 2.032 158 K HA -0.160 4.181 4.320 0.034 0.000 0.209 158 K C 2.105 178.820 176.600 0.191 0.000 1.048 158 K CA 1.242 57.650 56.287 0.203 0.000 0.927 158 K CB -0.587 32.063 32.500 0.250 0.000 0.712 158 K HN 0.221 nan 8.250 nan 0.000 0.441 159 A N 1.529 124.419 122.820 0.115 0.000 1.902 159 A HA -0.165 4.176 4.320 0.034 0.000 0.217 159 A C 2.247 179.862 177.584 0.051 0.000 1.181 159 A CA 1.428 53.519 52.037 0.090 0.000 0.623 159 A CB -0.367 18.670 19.000 0.061 0.000 0.818 159 A HN 0.271 nan 8.150 nan 0.000 0.443 160 R N -1.341 119.171 120.500 0.020 0.000 2.115 160 R HA -0.003 4.358 4.340 0.034 0.000 0.226 160 R C 2.075 178.352 176.300 -0.038 0.000 1.100 160 R CA 1.199 57.294 56.100 -0.007 0.000 0.980 160 R CB -0.373 29.919 30.300 -0.013 0.000 0.875 160 R HN 0.497 nan 8.270 nan 0.000 0.445 161 L N -0.064 121.108 121.223 -0.084 0.000 2.068 161 L HA -0.094 4.267 4.340 0.034 0.000 0.204 161 L C 1.758 178.479 176.870 -0.248 0.000 1.076 161 L CA 1.873 56.584 54.840 -0.214 0.000 0.753 161 L CB -0.263 41.578 42.059 -0.364 0.000 0.910 161 L HN 0.186 nan 8.230 nan 0.000 0.439 162 H N -0.035 119.038 119.070 0.004 0.000 2.562 162 H HA 0.239 4.816 4.556 0.034 0.000 0.267 162 H C 0.025 175.345 175.328 -0.012 0.000 0.959 162 H CA 0.111 56.157 56.048 -0.004 0.000 1.204 162 H CB 0.269 30.029 29.762 -0.003 0.000 1.430 162 H HN 0.145 nan 8.280 nan 0.000 0.545 163 R N 0.549 121.100 120.500 0.085 0.000 3.146 163 R HA -0.102 4.259 4.340 0.034 0.000 0.250 163 R C -2.623 173.696 176.300 0.032 0.000 0.912 163 R CA -0.028 56.097 56.100 0.042 0.000 0.633 163 R CB -2.423 27.888 30.300 0.019 0.000 1.180 163 R HN 0.440 nan 8.270 nan 0.000 0.464 164 P HA 0.088 nan 4.420 nan 0.000 0.275 164 P C 0.622 177.913 177.300 -0.014 0.000 1.228 164 P CA -0.286 62.804 63.100 -0.018 0.000 0.786 164 P CB 0.904 32.590 31.700 -0.023 0.000 0.927 165 K N 1.010 121.387 120.400 -0.038 0.000 2.217 165 K HA 0.004 4.345 4.320 0.034 0.000 0.202 165 K C 0.400 177.044 176.600 0.073 0.000 1.051 165 K CA 0.659 56.954 56.287 0.013 0.000 0.952 165 K CB -0.035 32.462 32.500 -0.006 0.000 0.736 165 K HN 0.329 nan 8.250 nan 0.000 0.453 166 L N 0.759 121.977 121.223 -0.009 0.000 2.431 166 L HA 0.467 4.827 4.340 0.034 0.000 0.266 166 L C -1.595 175.281 176.870 0.010 0.000 0.978 166 L CA -0.633 54.227 54.840 0.034 0.000 0.822 166 L CB 1.917 43.939 42.059 -0.062 0.000 1.310 166 L HN -0.076 nan 8.230 nan 0.000 0.409 167 I N 4.815 125.450 120.570 0.108 0.000 2.404 167 I HA 0.512 4.703 4.170 0.034 0.000 0.293 167 I C -0.789 175.416 176.117 0.146 0.000 0.992 167 I CA -0.967 60.425 61.300 0.153 0.000 1.149 167 I CB 1.982 40.120 38.000 0.230 0.000 1.315 167 I HN 0.262 nan 8.210 nan 0.000 0.446 168 V N 5.472 125.471 119.914 0.141 0.000 2.435 168 V HA 0.729 4.869 4.120 0.034 0.000 0.290 168 V C 0.190 176.272 176.094 -0.020 0.000 1.030 168 V CA -0.417 61.902 62.300 0.031 0.000 0.881 168 V CB 1.497 33.297 31.823 -0.037 0.000 0.983 168 V HN 0.844 nan 8.190 nan 0.000 0.445 169 A N 3.955 126.647 122.820 -0.213 0.000 2.380 169 A HA 1.067 5.407 4.320 0.034 0.000 0.315 169 A C -0.085 177.432 177.584 -0.112 0.000 1.101 169 A CA -0.002 51.798 52.037 -0.396 0.000 0.771 169 A CB 1.673 19.993 19.000 -1.134 0.000 1.287 169 A HN 2.464 nan 8.150 nan 0.000 0.436 170 A N -0.841 121.993 122.820 0.023 0.000 2.436 170 A HA 0.589 4.929 4.320 0.034 0.000 0.685 170 A C -0.400 177.328 177.584 0.239 0.000 0.144 170 A CA -0.022 52.116 52.037 0.167 0.000 0.042 170 A CB -1.370 17.722 19.000 0.154 0.000 3.965 170 A HN 2.955 nan 8.150 nan 0.000 0.547 171 A N -0.502 122.450 122.820 0.221 0.000 2.610 171 A HA 0.873 5.214 4.320 0.034 0.000 0.291 171 A C 0.488 178.102 177.584 0.050 0.000 1.086 171 A CA 0.561 52.691 52.037 0.155 0.000 0.677 171 A CB 0.825 19.917 19.000 0.154 0.000 1.278 171 A HN 1.964 nan 8.150 nan 0.000 0.414 172 S N -0.341 115.334 115.700 -0.042 0.000 2.502 172 S HA 0.398 4.888 4.470 0.034 0.000 0.215 172 S C 0.837 175.192 174.600 -0.408 0.000 1.009 172 S CA 0.832 58.870 58.200 -0.271 0.000 0.908 172 S CB 0.584 63.791 63.200 0.011 0.000 0.801 172 S HN 1.700 nan 8.310 nan 0.000 0.505 173 A N 0.735 123.464 122.820 -0.152 0.000 3.045 173 A HA 0.485 4.825 4.320 0.034 0.000 0.244 173 A C -0.911 176.695 177.584 0.037 0.000 0.917 173 A CA -0.307 51.667 52.037 -0.105 0.000 1.075 173 A CB 0.074 19.028 19.000 -0.077 0.000 1.202 173 A HN 0.314 nan 8.150 nan 0.000 0.486 174 Y N 1.927 122.181 120.300 -0.076 0.000 2.345 174 Y HA 0.528 5.098 4.550 0.033 0.000 0.331 174 Y C -2.205 173.700 175.900 0.008 0.000 0.959 174 Y CA -2.362 55.739 58.100 0.002 0.000 1.204 174 Y CB 2.110 40.610 38.460 0.068 0.000 1.135 174 Y HN 0.256 nan 8.280 nan 0.000 0.477 175 P HA 0.104 nan 4.420 nan 0.000 0.253 175 P C -0.226 176.874 177.300 -0.334 0.000 1.260 175 P CA 0.512 63.445 63.100 -0.278 0.000 0.800 175 P CB 0.504 32.087 31.700 -0.195 0.000 1.162 176 R N -0.095 119.999 120.500 -0.677 0.000 2.873 176 R HA 0.484 4.844 4.340 0.034 0.000 0.264 176 R C 0.437 176.675 176.300 -0.104 0.000 1.026 176 R CA -1.508 54.354 56.100 -0.397 0.000 1.002 176 R CB 0.650 30.706 30.300 -0.406 0.000 1.174 176 R HN 0.011 nan 8.270 nan 0.000 0.488 177 I N 2.064 122.654 120.570 0.032 0.000 2.710 177 I HA -0.019 4.171 4.170 0.034 0.000 0.286 177 I C 0.532 176.772 176.117 0.205 0.000 1.181 177 I CA 0.523 61.866 61.300 0.072 0.000 1.430 177 I CB 0.298 38.182 38.000 -0.194 0.000 1.367 177 I HN 0.244 nan 8.210 nan 0.000 0.577 178 I N 5.750 126.458 120.570 0.229 0.000 2.365 178 I HA 0.088 4.278 4.170 0.034 0.000 0.291 178 I C 0.281 176.164 176.117 -0.391 0.000 1.004 178 I CA -0.273 61.057 61.300 0.049 0.000 1.311 178 I CB 0.821 38.787 38.000 -0.057 0.000 1.401 178 I HN 0.481 nan 8.210 nan 0.000 0.491 179 D N 6.573 126.933 120.400 -0.066 0.000 2.483 179 D HA 0.118 4.778 4.640 0.034 0.000 0.220 179 D C 0.806 177.059 176.300 -0.078 0.000 1.173 179 D CA 0.028 53.882 54.000 -0.244 0.000 0.964 179 D CB 0.284 40.798 40.800 -0.477 0.000 1.046 179 D HN 0.355 nan 8.370 nan 0.000 0.517 180 F N 1.634 121.623 119.950 0.065 0.000 2.293 180 F HA -0.111 4.436 4.527 0.034 0.000 0.300 180 F C 2.494 178.118 175.800 -0.292 0.000 1.086 180 F CA 0.526 58.543 58.000 0.028 0.000 1.375 180 F CB -0.039 38.996 39.000 0.058 0.000 1.045 180 F HN 0.418 nan 8.300 nan 0.000 0.516 181 A N 0.541 123.006 122.820 -0.592 0.000 1.902 181 A HA -0.184 4.157 4.320 0.034 0.000 0.217 181 A C 2.211 179.660 177.584 -0.225 0.000 1.181 181 A CA 1.485 53.100 52.037 -0.702 0.000 0.623 181 A CB -0.501 18.120 19.000 -0.632 0.000 0.818 181 A HN 0.285 nan 8.150 nan 0.000 0.443 182 K N -1.461 118.805 120.400 -0.224 0.000 2.057 182 K HA -0.079 4.262 4.320 0.034 0.000 0.206 182 K C 1.678 178.222 176.600 -0.093 0.000 1.050 182 K CA 1.431 57.585 56.287 -0.221 0.000 0.935 182 K CB -0.355 31.840 32.500 -0.509 0.000 0.715 182 K HN 0.457 nan 8.250 nan 0.000 0.439 183 F N 1.273 121.246 119.950 0.038 0.000 2.126 183 F HA -0.216 4.332 4.527 0.035 0.000 0.299 183 F C 2.635 178.482 175.800 0.078 0.000 1.096 183 F CA 1.359 59.412 58.000 0.088 0.000 1.255 183 F CB -0.206 38.890 39.000 0.160 0.000 0.997 183 F HN -0.051 nan 8.300 nan 0.000 0.479 184 R N 0.846 121.499 120.500 0.254 0.000 2.075 184 R HA -0.141 4.220 4.340 0.034 0.000 0.232 184 R C 2.065 178.443 176.300 0.129 0.000 1.126 184 R CA 1.689 57.909 56.100 0.201 0.000 0.963 184 R CB -0.813 29.631 30.300 0.240 0.000 0.858 184 R HN 0.384 nan 8.270 nan 0.000 0.435 185 E N -0.147 120.097 120.200 0.075 0.000 2.085 185 E HA -0.199 4.172 4.350 0.034 0.000 0.194 185 E C 1.893 178.511 176.600 0.030 0.000 0.994 185 E CA 1.752 58.174 56.400 0.036 0.000 0.801 185 E CB -0.139 29.556 29.700 -0.008 0.000 0.743 185 E HN 0.410 nan 8.360 nan 0.000 0.453 186 I N 0.741 121.323 120.570 0.020 0.000 2.202 186 I HA -0.255 3.935 4.170 0.034 0.000 0.242 186 I C 2.612 178.761 176.117 0.053 0.000 1.091 186 I CA 0.966 62.274 61.300 0.013 0.000 1.368 186 I CB -0.356 37.622 38.000 -0.036 0.000 1.058 186 I HN 0.147 nan 8.210 nan 0.000 0.410 187 A N 0.650 123.532 122.820 0.104 0.000 1.892 187 A HA -0.286 4.054 4.320 0.034 0.000 0.218 187 A C 1.960 179.593 177.584 0.081 0.000 1.188 187 A CA 2.384 54.493 52.037 0.121 0.000 0.631 187 A CB -0.713 18.405 19.000 0.197 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.447 188 D N -0.938 119.511 120.400 0.081 0.000 2.144 188 D HA -0.133 4.528 4.640 0.034 0.000 0.199 188 D C 1.892 178.209 176.300 0.027 0.000 0.984 188 D CA 1.368 55.401 54.000 0.055 0.000 0.834 188 D CB -0.366 40.469 40.800 0.058 0.000 0.955 188 D HN 0.741 nan 8.370 nan 0.000 0.465 189 E N 0.364 120.578 120.200 0.024 0.000 2.110 189 E HA -0.148 4.222 4.350 0.034 0.000 0.193 189 E C 1.741 178.345 176.600 0.006 0.000 0.988 189 E CA 1.239 57.646 56.400 0.011 0.000 0.804 189 E CB 0.282 29.986 29.700 0.005 0.000 0.745 189 E HN 0.231 nan 8.360 nan 0.000 0.458 190 V N -3.457 116.464 119.914 0.011 0.000 3.621 190 V HA 0.435 4.575 4.120 0.034 0.000 0.285 190 V C 1.016 177.105 176.094 -0.007 0.000 1.346 190 V CA 0.410 62.714 62.300 0.005 0.000 1.104 190 V CB 0.107 31.940 31.823 0.016 0.000 0.913 190 V HN 0.284 nan 8.190 nan 0.000 0.432 191 G N 0.373 109.163 108.800 -0.016 0.000 2.198 191 G HA2 -0.020 3.961 3.960 0.034 0.000 0.257 191 G HA3 -0.020 3.961 3.960 0.034 0.000 0.257 191 G C 0.227 175.067 174.900 -0.101 0.000 1.042 191 G CA 0.403 45.469 45.100 -0.057 0.000 0.791 191 G HN 1.668 nan 8.290 nan 0.000 0.502 192 A N -0.709 122.077 122.820 -0.056 0.000 2.306 192 A HA 0.818 5.159 4.320 0.034 0.000 0.330 192 A C 0.063 177.597 177.584 -0.083 0.000 1.146 192 A CA -0.763 51.248 52.037 -0.044 0.000 0.827 192 A CB 0.796 19.823 19.000 0.045 0.000 1.178 192 A HN 0.544 nan 8.150 nan 0.000 0.490 193 Y N 0.040 120.305 120.300 -0.059 0.000 2.379 193 Y HA 0.340 4.910 4.550 0.035 0.000 0.337 193 Y C 0.318 176.307 175.900 0.149 0.000 1.238 193 Y CA 0.394 58.413 58.100 -0.136 0.000 1.405 193 Y CB 0.679 39.087 38.460 -0.087 0.000 1.310 193 Y HN 0.540 nan 8.280 nan 0.000 0.569 194 L N 4.838 126.400 121.223 0.566 0.000 2.305 194 L HA 0.493 4.853 4.340 0.034 0.000 0.284 194 L C -0.835 176.215 176.870 0.301 0.000 1.013 194 L CA -0.825 54.232 54.840 0.362 0.000 0.819 194 L CB 1.068 43.301 42.059 0.290 0.000 1.227 194 L HN 0.718 nan 8.230 nan 0.000 0.417 195 M N 5.630 125.359 119.600 0.215 0.000 2.294 195 M HA 0.590 5.090 4.480 0.034 0.000 0.335 195 M C -1.660 174.645 176.300 0.008 0.000 1.079 195 M CA -0.635 54.758 55.300 0.156 0.000 0.982 195 M CB 1.517 34.207 32.600 0.149 0.000 1.651 195 M HN 0.417 nan 8.290 nan 0.000 0.437 196 V N 4.283 124.160 119.914 -0.061 0.000 2.384 196 V HA 0.261 4.401 4.120 0.034 0.000 0.287 196 V C -0.659 175.361 176.094 -0.124 0.000 1.020 196 V CA -0.645 61.564 62.300 -0.151 0.000 0.850 196 V CB 1.576 33.177 31.823 -0.371 0.000 0.987 196 V HN 0.755 nan 8.190 nan 0.000 0.436 197 D N 5.778 126.136 120.400 -0.071 0.000 2.441 197 D HA 0.238 4.898 4.640 0.034 0.000 0.221 197 D C 0.776 177.072 176.300 -0.007 0.000 1.156 197 D CA -0.441 53.547 54.000 -0.020 0.000 0.896 197 D CB 1.131 41.998 40.800 0.113 0.000 1.028 197 D HN 0.608 nan 8.370 nan 0.000 0.509 198 M N 1.873 121.422 119.600 -0.084 0.000 2.530 198 M HA 0.373 4.873 4.480 0.034 0.000 0.231 198 M C 1.342 177.602 176.300 -0.067 0.000 1.180 198 M CA -0.421 54.836 55.300 -0.072 0.000 0.985 198 M CB 0.686 33.193 32.600 -0.155 0.000 1.623 198 M HN 0.144 nan 8.290 nan 0.000 0.475 199 A N 1.119 123.896 122.820 -0.071 0.000 1.896 199 A HA -0.259 4.081 4.320 0.034 0.000 0.220 199 A C 1.786 179.282 177.584 -0.147 0.000 1.206 199 A CA 2.528 54.481 52.037 -0.139 0.000 0.647 199 A CB -1.316 17.575 19.000 -0.183 0.000 0.828 199 A HN 0.735 nan 8.150 nan 0.000 0.455 200 H N -0.369 118.655 119.070 -0.076 0.000 2.387 200 H HA -0.028 4.550 4.556 0.037 0.000 0.299 200 H C 1.753 176.954 175.328 -0.212 0.000 1.090 200 H CA 1.899 57.915 56.048 -0.054 0.000 1.332 200 H CB -0.145 29.709 29.762 0.153 0.000 1.386 200 H HN 0.686 nan 8.280 nan 0.000 0.516 201 I N -3.180 117.379 120.570 -0.018 0.000 3.928 201 I HA 0.399 4.589 4.170 0.034 0.000 0.335 201 I C 1.948 178.059 176.117 -0.010 0.000 1.325 201 I CA 0.291 61.548 61.300 -0.072 0.000 1.107 201 I CB 0.352 38.281 38.000 -0.119 0.000 1.014 201 I HN 0.069 nan 8.210 nan 0.000 0.400 202 A N 2.175 124.996 122.820 0.001 0.000 1.908 202 A HA -0.053 4.288 4.320 0.034 0.000 0.218 202 A C 2.351 180.117 177.584 0.303 0.000 1.181 202 A CA 1.982 54.089 52.037 0.118 0.000 0.627 202 A CB -1.406 17.610 19.000 0.027 0.000 0.818 202 A HN 0.536 nan 8.150 nan 0.000 0.445 203 G N -0.135 108.813 108.800 0.247 0.000 2.418 203 G HA2 -0.151 3.830 3.960 0.034 0.000 0.217 203 G HA3 -0.151 3.830 3.960 0.034 0.000 0.217 203 G C 1.533 176.632 174.900 0.332 0.000 1.158 203 G CA 1.036 46.386 45.100 0.418 0.000 0.771 203 G HN 0.457 nan 8.290 nan 0.000 0.545 204 L N 0.253 121.580 121.223 0.173 0.000 2.046 204 L HA -0.078 4.283 4.340 0.034 0.000 0.208 204 L C 2.963 179.967 176.870 0.224 0.000 1.077 204 L CA 0.451 55.381 54.840 0.150 0.000 0.747 204 L CB -0.796 41.343 42.059 0.134 0.000 0.896 204 L HN 0.066 nan 8.230 nan 0.000 0.432 205 V N 0.600 120.677 119.914 0.272 0.000 2.287 205 V HA -0.325 3.816 4.120 0.034 0.000 0.248 205 V C 2.855 179.103 176.094 0.256 0.000 1.053 205 V CA 1.991 64.487 62.300 0.326 0.000 1.027 205 V CB -0.958 31.093 31.823 0.380 0.000 0.646 205 V HN 0.499 nan 8.190 nan 0.000 0.447 206 A N -0.238 122.712 122.820 0.216 0.000 1.978 206 A HA -0.064 4.276 4.320 0.034 0.000 0.220 206 A C 2.166 179.782 177.584 0.054 0.000 1.170 206 A CA 1.938 53.919 52.037 -0.093 0.000 0.636 206 A CB -0.558 18.289 19.000 -0.256 0.000 0.810 206 A HN 0.638 nan 8.150 nan 0.000 0.448 207 A N -1.701 121.229 122.820 0.183 0.000 2.251 207 A HA 0.436 4.776 4.320 0.034 0.000 0.209 207 A C 1.638 179.282 177.584 0.101 0.000 1.187 207 A CA 1.020 53.150 52.037 0.154 0.000 0.823 207 A CB -0.996 18.081 19.000 0.129 0.000 0.846 207 A HN 1.876 nan 8.150 nan 0.000 0.486 208 G N -0.766 108.101 108.800 0.112 0.000 2.221 208 G HA2 -0.244 3.736 3.960 0.034 0.000 0.265 208 G HA3 -0.244 3.736 3.960 0.034 0.000 0.265 208 G C 0.495 175.457 174.900 0.104 0.000 1.041 208 G CA 0.611 45.775 45.100 0.106 0.000 0.807 208 G HN 0.551 nan 8.290 nan 0.000 0.502 209 L N -0.728 120.572 121.223 0.128 0.000 2.664 209 L HA 0.364 4.725 4.340 0.034 0.000 0.233 209 L C 0.950 177.920 176.870 0.166 0.000 1.113 209 L CA -0.233 54.673 54.840 0.111 0.000 0.896 209 L CB 0.297 42.402 42.059 0.077 0.000 1.163 209 L HN 0.423 nan 8.230 nan 0.000 0.497 210 H N 0.606 119.753 119.070 0.127 0.000 2.717 210 H HA 0.376 4.953 4.556 0.035 0.000 0.366 210 H C -2.666 172.785 175.328 0.204 0.000 1.132 210 H CA -1.892 54.252 56.048 0.160 0.000 1.180 210 H CB 2.745 32.626 29.762 0.198 0.000 1.678 210 H HN -0.246 nan 8.280 nan 0.000 0.537 211 P HA -0.060 nan 4.420 nan 0.000 0.265 211 P C -0.256 177.393 177.300 0.582 0.000 1.187 211 P CA 0.143 63.411 63.100 0.279 0.000 0.766 211 P CB 0.502 32.292 31.700 0.151 0.000 0.820 212 N N 3.841 122.796 118.700 0.426 0.000 2.422 212 N HA 0.109 4.870 4.740 0.034 0.000 0.264 212 N C -1.514 174.165 175.510 0.282 0.000 1.063 212 N CA -2.289 50.961 53.050 0.332 0.000 0.959 212 N CB 0.476 39.100 38.487 0.228 0.000 1.087 212 N HN 0.212 nan 8.380 nan 0.000 0.483 213 P HA -0.075 nan 4.420 nan 0.000 0.225 213 P C 1.341 178.557 177.300 -0.140 0.000 1.156 213 P CA 0.418 63.265 63.100 -0.423 0.000 0.787 213 P CB 0.516 31.552 31.700 -1.107 0.000 0.802 214 V N 2.014 121.873 119.914 -0.092 0.000 2.282 214 V HA -0.175 3.966 4.120 0.034 0.000 0.249 214 V C -0.227 175.799 176.094 -0.113 0.000 1.057 214 V CA 2.687 64.935 62.300 -0.086 0.000 1.032 214 V CB -2.560 29.246 31.823 -0.030 0.000 0.645 214 V HN 0.219 nan 8.190 nan 0.000 0.447 215 P HA -0.091 nan 4.420 nan 0.000 0.226 215 P C 0.916 177.941 177.300 -0.459 0.000 1.153 215 P CA 1.405 64.301 63.100 -0.341 0.000 0.777 215 P CB -0.064 31.349 31.700 -0.478 0.000 0.794 216 Y N -0.923 119.351 120.300 -0.043 0.000 2.524 216 Y HA 0.422 4.992 4.550 0.034 0.000 0.270 216 Y C 1.412 177.237 175.900 -0.125 0.000 1.094 216 Y CA -0.289 57.789 58.100 -0.037 0.000 1.276 216 Y CB -0.444 38.069 38.460 0.087 0.000 1.130 216 Y HN -0.199 nan 8.280 nan 0.000 0.536 217 A N -0.516 122.282 122.820 -0.037 0.000 2.306 217 A HA 0.363 4.704 4.320 0.034 0.000 0.314 217 A C -0.009 177.426 177.584 -0.248 0.000 1.164 217 A CA -0.406 51.565 52.037 -0.110 0.000 0.822 217 A CB 0.269 19.209 19.000 -0.100 0.000 1.130 217 A HN 0.463 nan 8.150 nan 0.000 0.496 218 H N 0.898 119.836 119.070 -0.220 0.000 2.389 218 H HA 0.087 4.663 4.556 0.034 0.000 0.299 218 H C -0.665 174.042 175.328 -1.035 0.000 1.081 218 H CA 2.156 57.820 56.048 -0.640 0.000 1.345 218 H CB -0.054 29.153 29.762 -0.924 0.000 1.393 218 H HN 0.581 nan 8.280 nan 0.000 0.520 219 F N -0.510 119.419 119.950 -0.034 0.000 2.561 219 F HA 0.468 5.015 4.527 0.034 0.000 0.313 219 F C -0.895 174.840 175.800 -0.109 0.000 1.126 219 F CA -1.204 56.738 58.000 -0.096 0.000 0.918 219 F CB 1.826 40.735 39.000 -0.151 0.000 1.199 219 F HN -0.343 nan 8.300 nan 0.000 0.444 220 V N 1.903 121.833 119.914 0.027 0.000 2.409 220 V HA 0.595 4.735 4.120 0.034 0.000 0.291 220 V C -0.150 175.887 176.094 -0.095 0.000 1.020 220 V CA -0.681 61.561 62.300 -0.097 0.000 0.848 220 V CB 1.889 33.591 31.823 -0.201 0.000 0.990 220 V HN 0.898 nan 8.190 nan 0.000 0.430 221 T N 0.897 115.388 114.554 -0.106 0.000 2.945 221 T HA 0.829 5.200 4.350 0.034 0.000 0.286 221 T C -0.291 174.321 174.700 -0.148 0.000 1.025 221 T CA -0.655 61.378 62.100 -0.111 0.000 1.039 221 T CB 2.125 70.938 68.868 -0.092 0.000 1.068 221 T HN 0.730 nan 8.240 nan 0.000 0.497 222 T N 0.413 114.883 114.554 -0.139 0.000 2.786 222 T HA 0.577 4.947 4.350 0.034 0.000 0.316 222 T C -0.573 174.055 174.700 -0.119 0.000 1.503 222 T CA -0.387 61.620 62.100 -0.155 0.000 1.019 222 T CB 1.317 70.050 68.868 -0.225 0.000 1.415 222 T HN 1.180 nan 8.240 nan 0.000 0.496 223 T N 0.097 114.547 114.554 -0.172 0.000 2.874 223 T HA 0.426 4.797 4.350 0.034 0.000 0.281 223 T C 1.492 176.134 174.700 -0.098 0.000 0.994 223 T CA 0.225 62.207 62.100 -0.198 0.000 1.015 223 T CB 0.930 69.430 68.868 -0.613 0.000 1.028 223 T HN 0.771 nan 8.240 nan 0.000 0.523 224 T N -2.417 112.163 114.554 0.043 0.000 3.037 224 T HA 0.068 4.439 4.350 0.034 0.000 0.251 224 T C 1.109 175.886 174.700 0.128 0.000 1.079 224 T CA 0.064 62.252 62.100 0.147 0.000 1.067 224 T CB -0.511 68.463 68.868 0.177 0.000 0.948 224 T HN 0.889 nan 8.240 nan 0.000 0.496 225 H N 1.437 120.514 119.070 0.011 0.000 2.277 225 H HA 0.532 5.111 4.556 0.037 0.000 0.301 225 H C 0.589 175.899 175.328 -0.029 0.000 1.655 225 H CA -0.367 55.675 56.048 -0.011 0.000 1.483 225 H CB 0.290 30.030 29.762 -0.037 0.000 1.741 225 H HN 0.141 nan 8.280 nan 0.000 0.712 226 K N -2.059 118.325 120.400 -0.027 0.000 2.768 226 K HA -0.238 4.103 4.320 0.034 0.000 0.347 226 K C 1.504 178.087 176.600 -0.028 0.000 1.714 226 K CA 1.323 57.532 56.287 -0.130 0.000 0.617 226 K CB -1.899 30.383 32.500 -0.364 0.000 0.986 226 K HN 0.820 nan 8.250 nan 0.000 0.668 227 T N -0.090 114.416 114.554 -0.079 0.000 2.881 227 T HA -0.102 4.269 4.350 0.034 0.000 0.270 227 T C 1.747 176.615 174.700 0.280 0.000 1.068 227 T CA 1.632 63.754 62.100 0.037 0.000 1.131 227 T CB -0.070 68.715 68.868 -0.138 0.000 0.871 227 T HN 0.344 nan 8.240 nan 0.000 0.479 228 L N 1.137 122.491 121.223 0.217 0.000 2.362 228 L HA 0.307 4.668 4.340 0.034 0.000 0.219 228 L C 1.655 178.676 176.870 0.252 0.000 1.134 228 L CA 1.082 56.089 54.840 0.278 0.000 0.807 228 L CB -1.105 41.077 42.059 0.206 0.000 0.927 228 L HN 0.456 nan 8.230 nan 0.000 0.447 229 R N -1.167 119.466 120.500 0.221 0.000 3.531 229 R HA -0.154 4.206 4.340 0.034 0.000 0.280 229 R C 0.462 176.823 176.300 0.102 0.000 1.130 229 R CA 0.412 56.616 56.100 0.173 0.000 0.757 229 R CB -1.742 28.704 30.300 0.243 0.000 1.218 229 R HN 0.561 nan 8.270 nan 0.000 0.454 230 G N 0.100 108.958 108.800 0.097 0.000 2.795 230 G HA2 0.684 4.664 3.960 0.034 0.000 0.267 230 G HA3 0.684 4.664 3.960 0.034 0.000 0.267 230 G C -2.574 172.354 174.900 0.047 0.000 1.362 230 G CA -0.950 44.174 45.100 0.040 0.000 1.048 230 G HN 0.131 nan 8.290 nan 0.000 0.547 231 P HA 0.191 nan 4.420 nan 0.000 0.274 231 P C -0.547 176.764 177.300 0.018 0.000 1.256 231 P CA -0.488 62.600 63.100 -0.020 0.000 0.795 231 P CB 1.059 32.719 31.700 -0.066 0.000 1.038 232 R N 0.148 120.594 120.500 -0.090 0.000 2.370 232 R HA 0.507 4.867 4.340 0.034 0.000 0.309 232 R C 0.536 176.829 176.300 -0.012 0.000 1.059 232 R CA 0.911 56.879 56.100 -0.219 0.000 0.981 232 R CB -0.400 29.668 30.300 -0.388 0.000 0.972 232 R HN 0.864 nan 8.270 nan 0.000 0.437 233 G N 1.056 109.961 108.800 0.175 0.000 2.315 233 G HA2 0.391 4.372 3.960 0.034 0.000 0.294 233 G HA3 0.391 4.372 3.960 0.034 0.000 0.294 233 G C -1.324 173.663 174.900 0.145 0.000 1.300 233 G CA -0.405 44.770 45.100 0.125 0.000 0.843 233 G HN 0.772 nan 8.290 nan 0.000 0.527 234 G N -1.354 107.496 108.800 0.084 0.000 2.685 234 G HA2 0.843 4.823 3.960 0.034 0.000 0.298 234 G HA3 0.843 4.823 3.960 0.034 0.000 0.298 234 G C -0.809 174.118 174.900 0.045 0.000 1.277 234 G CA -0.376 44.752 45.100 0.046 0.000 0.986 234 G HN 1.232 nan 8.290 nan 0.000 0.487 235 M N -0.043 119.565 119.600 0.014 0.000 2.490 235 M HA 0.589 5.089 4.480 0.034 0.000 0.286 235 M C -2.135 174.142 176.300 -0.038 0.000 1.185 235 M CA -0.621 54.688 55.300 0.015 0.000 0.912 235 M CB 2.140 34.773 32.600 0.054 0.000 1.744 235 M HN 0.407 nan 8.290 nan 0.000 0.494 236 I N 4.604 125.160 120.570 -0.023 0.000 2.465 236 I HA 0.515 4.706 4.170 0.034 0.000 0.291 236 I C -1.267 174.838 176.117 -0.020 0.000 1.014 236 I CA -0.715 60.575 61.300 -0.018 0.000 1.093 236 I CB 2.014 40.031 38.000 0.028 0.000 1.267 236 I HN 0.590 nan 8.210 nan 0.000 0.431 237 L N 6.095 127.299 121.223 -0.033 0.000 2.346 237 L HA 0.829 5.190 4.340 0.034 0.000 0.274 237 L C -0.547 176.364 176.870 0.069 0.000 1.007 237 L CA -0.622 54.207 54.840 -0.017 0.000 0.818 237 L CB 1.894 43.884 42.059 -0.114 0.000 1.284 237 L HN 0.814 nan 8.230 nan 0.000 0.424 238 C N -0.085 119.294 119.300 0.133 0.000 3.306 238 C HA 0.491 4.971 4.460 0.034 0.000 0.335 238 C C -0.826 174.271 174.990 0.178 0.000 1.382 238 C CA -0.989 58.128 59.018 0.165 0.000 1.254 238 C CB 1.831 29.747 27.740 0.292 0.000 1.555 238 C HN 0.886 nan 8.230 nan 0.000 0.463 239 Q N 0.993 120.905 119.800 0.187 0.000 2.382 239 Q HA 0.272 4.632 4.340 0.034 0.000 0.229 239 Q C 0.780 176.826 176.000 0.076 0.000 1.006 239 Q CA 0.082 55.952 55.803 0.111 0.000 0.916 239 Q CB 0.888 29.660 28.738 0.057 0.000 1.235 239 Q HN 0.868 nan 8.270 nan 0.000 0.512 240 E N 1.458 121.660 120.200 0.003 0.000 2.147 240 E HA -0.269 4.102 4.350 0.034 0.000 0.199 240 E C 1.901 178.423 176.600 -0.131 0.000 1.005 240 E CA 2.371 58.738 56.400 -0.054 0.000 0.810 240 E CB -0.046 29.625 29.700 -0.049 0.000 0.736 240 E HN 0.707 nan 8.360 nan 0.000 0.460 241 Q N -0.868 118.802 119.800 -0.217 0.000 2.291 241 Q HA -0.154 4.206 4.340 0.034 0.000 0.206 241 Q C 1.360 177.105 176.000 -0.425 0.000 0.976 241 Q CA 1.245 56.825 55.803 -0.373 0.000 0.875 241 Q CB -0.437 27.982 28.738 -0.532 0.000 0.927 241 Q HN 0.409 nan 8.270 nan 0.000 0.450 242 F N 0.532 120.480 119.950 -0.004 0.000 2.721 242 F HA 0.424 4.971 4.527 0.034 0.000 0.301 242 F C 2.267 178.059 175.800 -0.015 0.000 1.096 242 F CA -0.134 57.900 58.000 0.057 0.000 1.308 242 F CB -0.201 38.898 39.000 0.165 0.000 1.086 242 F HN 0.082 nan 8.300 nan 0.000 0.587 243 A N 0.682 123.470 122.820 -0.053 0.000 1.892 243 A HA -0.276 4.064 4.320 0.034 0.000 0.218 243 A C 2.353 179.741 177.584 -0.326 0.000 1.188 243 A CA 2.146 53.897 52.037 -0.478 0.000 0.631 243 A CB -0.651 17.802 19.000 -0.912 0.000 0.822 243 A HN 0.330 nan 8.150 nan 0.000 0.447 244 K N -0.808 119.481 120.400 -0.185 0.000 2.057 244 K HA -0.214 4.126 4.320 0.034 0.000 0.206 244 K C 2.225 178.808 176.600 -0.029 0.000 1.050 244 K CA 1.695 57.915 56.287 -0.111 0.000 0.935 244 K CB -0.146 32.312 32.500 -0.071 0.000 0.715 244 K HN 0.571 nan 8.250 nan 0.000 0.439 245 Q N 0.479 120.297 119.800 0.030 0.000 2.079 245 Q HA -0.079 4.282 4.340 0.034 0.000 0.200 245 Q C 2.029 178.076 176.000 0.077 0.000 0.974 245 Q CA 1.157 57.002 55.803 0.071 0.000 0.840 245 Q CB -0.041 28.772 28.738 0.124 0.000 0.898 245 Q HN 0.260 nan 8.270 nan 0.000 0.430 246 I N 1.175 121.805 120.570 0.100 0.000 2.179 246 I HA -0.236 3.954 4.170 0.034 0.000 0.242 246 I C 1.300 177.479 176.117 0.103 0.000 1.088 246 I CA 1.421 62.783 61.300 0.103 0.000 1.357 246 I CB -0.924 37.186 38.000 0.183 0.000 1.051 246 I HN 0.241 nan 8.210 nan 0.000 0.409 247 D N 0.930 121.356 120.400 0.044 0.000 2.117 247 D HA -0.160 4.500 4.640 0.034 0.000 0.197 247 D C 2.212 178.613 176.300 0.168 0.000 0.987 247 D CA 1.123 55.104 54.000 -0.032 0.000 0.829 247 D CB -0.097 40.414 40.800 -0.482 0.000 0.961 247 D HN 0.324 nan 8.370 nan 0.000 0.460 248 K N 0.396 120.863 120.400 0.111 0.000 2.148 248 K HA 0.024 4.365 4.320 0.034 0.000 0.204 248 K C 2.068 178.755 176.600 0.144 0.000 1.050 248 K CA 0.853 57.216 56.287 0.126 0.000 0.942 248 K CB 0.032 32.578 32.500 0.077 0.000 0.724 248 K HN 0.014 nan 8.250 nan 0.000 0.446 249 A N 1.636 124.558 122.820 0.170 0.000 1.902 249 A HA -0.150 4.191 4.320 0.034 0.000 0.217 249 A C 2.044 179.694 177.584 0.110 0.000 1.181 249 A CA 1.130 53.309 52.037 0.237 0.000 0.623 249 A CB -0.363 18.771 19.000 0.225 0.000 0.818 249 A HN 0.084 nan 8.150 nan 0.000 0.443 250 I N -2.518 118.134 120.570 0.137 0.000 2.202 250 I HA -0.013 4.177 4.170 0.034 0.000 0.242 250 I C 0.595 176.819 176.117 0.178 0.000 1.091 250 I CA 1.379 62.753 61.300 0.124 0.000 1.368 250 I CB -0.610 37.501 38.000 0.185 0.000 1.058 250 I HN 0.360 nan 8.210 nan 0.000 0.410 251 F N 2.504 122.526 119.950 0.120 0.000 2.607 251 F HA 0.413 4.962 4.527 0.037 0.000 0.322 251 F C -2.329 173.555 175.800 0.141 0.000 1.176 251 F CA -1.916 56.121 58.000 0.063 0.000 0.977 251 F CB 1.811 40.790 39.000 -0.035 0.000 1.242 251 F HN -0.245 nan 8.300 nan 0.000 0.465 252 P HA 0.192 nan 4.420 nan 0.000 0.257 252 P C 0.999 178.113 177.300 -0.310 0.000 1.325 252 P CA 0.561 63.067 63.100 -0.990 0.000 0.850 252 P CB 0.479 31.614 31.700 -0.943 0.000 1.324 253 G N 2.227 110.941 108.800 -0.143 0.000 2.484 253 G HA2 -0.194 3.786 3.960 0.034 0.000 0.215 253 G HA3 -0.194 3.786 3.960 0.034 0.000 0.215 253 G C 1.316 175.960 174.900 -0.428 0.000 1.219 253 G CA 1.163 46.160 45.100 -0.172 0.000 0.791 253 G HN 0.438 nan 8.290 nan 0.000 0.550 254 I N -3.450 116.927 120.570 -0.322 0.000 4.323 254 I HA 0.436 4.627 4.170 0.034 0.000 0.328 254 I C 0.632 176.671 176.117 -0.129 0.000 1.310 254 I CA -0.211 60.897 61.300 -0.320 0.000 1.186 254 I CB 0.546 38.310 38.000 -0.392 0.000 1.130 254 I HN 0.061 nan 8.210 nan 0.000 0.411 255 Q N 0.940 120.724 119.800 -0.026 0.000 2.495 255 Q HA 0.647 5.008 4.340 0.034 0.000 0.283 255 Q C 0.072 176.195 176.000 0.206 0.000 1.097 255 Q CA -0.497 55.342 55.803 0.060 0.000 0.836 255 Q CB 2.111 30.804 28.738 -0.076 0.000 1.426 255 Q HN 0.257 nan 8.270 nan 0.000 0.459 256 G N -0.380 108.539 108.800 0.198 0.000 3.434 256 G HA2 0.454 4.434 3.960 0.034 0.000 0.192 256 G HA3 0.454 4.434 3.960 0.034 0.000 0.192 256 G C -0.144 174.716 174.900 -0.066 0.000 1.704 256 G CA -0.145 45.068 45.100 0.187 0.000 0.936 256 G HN 0.573 nan 8.290 nan 0.000 0.623 257 G N 1.387 110.201 108.800 0.023 0.000 2.441 257 G HA2 0.483 4.463 3.960 0.034 0.000 0.243 257 G HA3 0.483 4.463 3.960 0.034 0.000 0.243 257 G C -2.041 172.886 174.900 0.044 0.000 1.281 257 G CA -0.347 44.726 45.100 -0.044 0.000 0.854 257 G HN 0.417 nan 8.290 nan 0.000 0.560 258 P HA 0.222 nan 4.420 nan 0.000 0.276 258 P C -0.278 177.079 177.300 0.095 0.000 1.252 258 P CA -0.571 62.548 63.100 0.033 0.000 0.802 258 P CB 1.307 32.950 31.700 -0.095 0.000 1.035 259 L N 2.197 123.476 121.223 0.093 0.000 2.334 259 L HA 0.147 4.508 4.340 0.034 0.000 0.286 259 L C 1.857 178.675 176.870 -0.087 0.000 1.108 259 L CA -0.503 54.326 54.840 -0.019 0.000 0.875 259 L CB 0.042 41.986 42.059 -0.191 0.000 1.246 259 L HN 0.231 nan 8.230 nan 0.000 0.439 260 M N 1.104 120.752 119.600 0.080 0.000 2.229 260 M HA -0.129 4.372 4.480 0.034 0.000 0.264 260 M C 2.172 178.503 176.300 0.052 0.000 1.063 260 M CA 1.681 57.016 55.300 0.059 0.000 1.114 260 M CB -1.042 31.607 32.600 0.082 0.000 1.387 260 M HN 0.696 nan 8.290 nan 0.000 0.420 261 H N -1.687 117.375 119.070 -0.012 0.000 2.389 261 H HA 0.018 4.583 4.556 0.016 0.000 0.299 261 H C 1.901 177.212 175.328 -0.028 0.000 1.081 261 H CA 1.158 57.194 56.048 -0.020 0.000 1.345 261 H CB -0.831 28.919 29.762 -0.020 0.000 1.393 261 H HN 0.130 nan 8.280 nan 0.000 0.520 262 V N 1.211 120.829 119.914 -0.493 0.000 2.453 262 V HA -0.172 3.969 4.120 0.034 0.000 0.247 262 V C 2.515 178.500 176.094 -0.181 0.000 1.048 262 V CA 1.545 63.661 62.300 -0.307 0.000 1.049 262 V CB -0.467 31.160 31.823 -0.326 0.000 0.672 262 V HN 0.412 nan 8.190 nan 0.000 0.457 263 I N 0.729 121.211 120.570 -0.146 0.000 2.208 263 I HA -0.263 3.928 4.170 0.034 0.000 0.245 263 I C 2.689 178.740 176.117 -0.111 0.000 1.097 263 I CA 1.484 62.722 61.300 -0.102 0.000 1.363 263 I CB -0.538 37.432 38.000 -0.049 0.000 1.051 263 I HN 0.301 nan 8.210 nan 0.000 0.413 264 A N 0.758 123.533 122.820 -0.075 0.000 1.908 264 A HA -0.209 4.131 4.320 0.034 0.000 0.218 264 A C 2.545 180.064 177.584 -0.108 0.000 1.181 264 A CA 1.977 53.977 52.037 -0.061 0.000 0.627 264 A CB -0.851 18.142 19.000 -0.012 0.000 0.818 264 A HN 0.442 nan 8.150 nan 0.000 0.445 265 A N -0.307 122.443 122.820 -0.117 0.000 1.933 265 A HA -0.154 4.186 4.320 0.034 0.000 0.218 265 A C 2.094 179.530 177.584 -0.247 0.000 1.175 265 A CA 1.781 53.736 52.037 -0.137 0.000 0.628 265 A CB -0.416 18.523 19.000 -0.102 0.000 0.814 265 A HN 0.567 nan 8.150 nan 0.000 0.444 266 K N -0.218 119.978 120.400 -0.339 0.000 2.032 266 K HA -0.111 4.229 4.320 0.034 0.000 0.209 266 K C 2.362 178.332 176.600 -1.050 0.000 1.048 266 K CA 1.201 57.059 56.287 -0.715 0.000 0.927 266 K CB -0.403 31.738 32.500 -0.597 0.000 0.712 266 K HN 0.434 nan 8.250 nan 0.000 0.441 267 A N 1.257 123.754 122.820 -0.538 0.000 1.892 267 A HA -0.177 4.163 4.320 0.034 0.000 0.218 267 A C 2.436 179.898 177.584 -0.203 0.000 1.188 267 A CA 1.874 53.743 52.037 -0.280 0.000 0.631 267 A CB -0.911 18.032 19.000 -0.096 0.000 0.822 267 A HN 0.089 nan 8.150 nan 0.000 0.447 268 V N -0.159 119.645 119.914 -0.184 0.000 2.255 268 V HA -0.290 3.850 4.120 0.034 0.000 0.247 268 V C 3.076 179.100 176.094 -0.117 0.000 1.051 268 V CA 2.180 64.413 62.300 -0.112 0.000 1.018 268 V CB -1.438 30.334 31.823 -0.085 0.000 0.641 268 V HN 0.648 nan 8.190 nan 0.000 0.445 269 A N -0.450 122.257 122.820 -0.188 0.000 1.908 269 A HA -0.199 4.141 4.320 0.034 0.000 0.218 269 A C 2.143 179.707 177.584 -0.035 0.000 1.181 269 A CA 1.997 53.954 52.037 -0.133 0.000 0.627 269 A CB -0.804 18.106 19.000 -0.150 0.000 0.818 269 A HN 0.560 nan 8.150 nan 0.000 0.445 270 F N -0.034 119.853 119.950 -0.105 0.000 2.171 270 F HA -0.104 4.451 4.527 0.046 0.000 0.300 270 F C 2.729 178.441 175.800 -0.145 0.000 1.090 270 F CA 0.227 58.147 58.000 -0.134 0.000 1.293 270 F CB -0.595 38.363 39.000 -0.070 0.000 1.013 270 F HN 0.369 nan 8.300 nan 0.000 0.486 271 G N 0.352 109.193 108.800 0.070 0.000 2.446 271 G HA2 -0.252 3.729 3.960 0.034 0.000 0.217 271 G HA3 -0.252 3.729 3.960 0.034 0.000 0.217 271 G C 1.383 176.272 174.900 -0.018 0.000 1.168 271 G CA 0.954 46.064 45.100 0.016 0.000 0.771 271 G HN 0.350 nan 8.290 nan 0.000 0.551 272 E N 0.491 120.667 120.200 -0.041 0.000 2.077 272 E HA -0.028 4.342 4.350 0.034 0.000 0.193 272 E C 2.877 179.405 176.600 -0.120 0.000 0.989 272 E CA 0.778 57.153 56.400 -0.042 0.000 0.800 272 E CB -0.187 29.494 29.700 -0.031 0.000 0.746 272 E HN 0.425 nan 8.360 nan 0.000 0.452 273 A N 0.840 123.442 122.820 -0.363 0.000 2.067 273 A HA -0.077 4.264 4.320 0.034 0.000 0.219 273 A C 2.054 179.478 177.584 -0.267 0.000 1.158 273 A CA 0.727 52.297 52.037 -0.778 0.000 0.661 273 A CB -0.349 18.084 19.000 -0.946 0.000 0.801 273 A HN 0.130 nan 8.150 nan 0.000 0.452 274 L N -0.586 120.555 121.223 -0.136 0.000 2.395 274 L HA -0.041 4.319 4.340 0.034 0.000 0.218 274 L C 0.939 177.816 176.870 0.011 0.000 1.130 274 L CA 0.172 54.976 54.840 -0.061 0.000 0.826 274 L CB -0.226 41.803 42.059 -0.050 0.000 0.941 274 L HN 0.462 nan 8.230 nan 0.000 0.451 275 Q N -0.117 119.711 119.800 0.047 0.000 2.340 275 Q HA -0.015 4.346 4.340 0.034 0.000 0.249 275 Q C 0.461 176.540 176.000 0.130 0.000 0.957 275 Q CA -0.550 55.303 55.803 0.083 0.000 0.882 275 Q CB 1.066 29.857 28.738 0.089 0.000 1.235 275 Q HN 0.038 nan 8.270 nan 0.000 0.439 276 D N 1.558 122.016 120.400 0.098 0.000 2.123 276 D HA -0.190 4.471 4.640 0.034 0.000 0.196 276 D C 1.245 177.618 176.300 0.122 0.000 0.992 276 D CA 1.575 55.634 54.000 0.097 0.000 0.833 276 D CB -0.089 40.751 40.800 0.066 0.000 0.954 276 D HN 0.654 nan 8.370 nan 0.000 0.455 277 D N -0.067 120.410 120.400 0.128 0.000 2.264 277 D HA -0.180 4.480 4.640 0.034 0.000 0.208 277 D C 1.969 178.382 176.300 0.189 0.000 0.966 277 D CA 0.265 54.344 54.000 0.132 0.000 0.864 277 D CB -1.009 39.855 40.800 0.107 0.000 0.933 277 D HN 0.263 nan 8.370 nan 0.000 0.499 278 F N 1.224 121.238 119.950 0.106 0.000 2.186 278 F HA -0.035 4.512 4.527 0.033 0.000 0.299 278 F C 1.985 177.891 175.800 0.177 0.000 1.090 278 F CA 1.106 59.208 58.000 0.169 0.000 1.307 278 F CB 0.081 39.154 39.000 0.122 0.000 1.019 278 F HN -0.241 nan 8.300 nan 0.000 0.489 279 K N 0.702 121.224 120.400 0.204 0.000 2.032 279 K HA -0.120 4.220 4.320 0.034 0.000 0.209 279 K C 2.291 178.879 176.600 -0.020 0.000 1.048 279 K CA 1.514 57.847 56.287 0.077 0.000 0.927 279 K CB -1.016 31.543 32.500 0.098 0.000 0.712 279 K HN 0.321 nan 8.250 nan 0.000 0.441 280 A N 0.006 122.838 122.820 0.020 0.000 1.902 280 A HA -0.211 4.130 4.320 0.034 0.000 0.217 280 A C 2.164 179.733 177.584 -0.025 0.000 1.181 280 A CA 1.652 53.694 52.037 0.008 0.000 0.623 280 A CB -0.937 18.090 19.000 0.045 0.000 0.818 280 A HN 0.446 nan 8.150 nan 0.000 0.443 281 Y N 0.892 121.109 120.300 -0.139 0.000 2.081 281 Y HA -0.199 4.375 4.550 0.039 0.000 0.280 281 Y C 2.605 178.352 175.900 -0.256 0.000 1.163 281 Y CA 1.640 59.623 58.100 -0.196 0.000 1.135 281 Y CB -0.856 37.449 38.460 -0.258 0.000 0.970 281 Y HN 0.292 nan 8.280 nan 0.000 0.498 282 A N 0.545 122.917 122.820 -0.747 0.000 1.940 282 A HA -0.256 4.085 4.320 0.034 0.000 0.219 282 A C 2.375 179.735 177.584 -0.374 0.000 1.176 282 A CA 2.093 53.714 52.037 -0.693 0.000 0.631 282 A CB -0.884 17.842 19.000 -0.456 0.000 0.814 282 A HN 0.595 nan 8.150 nan 0.000 0.446 283 K N -0.476 119.786 120.400 -0.229 0.000 2.057 283 K HA -0.136 4.205 4.320 0.034 0.000 0.207 283 K C 2.275 178.800 176.600 -0.125 0.000 1.049 283 K CA 1.253 57.466 56.287 -0.123 0.000 0.931 283 K CB -0.183 32.280 32.500 -0.062 0.000 0.714 283 K HN 0.455 nan 8.250 nan 0.000 0.440 284 R N 0.273 120.685 120.500 -0.148 0.000 2.096 284 R HA -0.109 4.251 4.340 0.034 0.000 0.235 284 R C 2.283 178.506 176.300 -0.128 0.000 1.127 284 R CA 1.367 57.407 56.100 -0.100 0.000 0.968 284 R CB -0.432 29.843 30.300 -0.042 0.000 0.861 284 R HN 0.069 nan 8.270 nan 0.000 0.440 285 V N 0.611 120.358 119.914 -0.278 0.000 2.252 285 V HA -0.252 3.888 4.120 0.034 0.000 0.249 285 V C 2.371 178.416 176.094 -0.081 0.000 1.056 285 V CA 1.884 64.053 62.300 -0.219 0.000 1.022 285 V CB -0.433 31.165 31.823 -0.375 0.000 0.641 285 V HN 0.130 nan 8.190 nan 0.000 0.445 286 V N -0.025 119.842 119.914 -0.077 0.000 2.358 286 V HA -0.214 3.927 4.120 0.034 0.000 0.246 286 V C 2.266 178.353 176.094 -0.011 0.000 1.047 286 V CA 2.040 64.331 62.300 -0.015 0.000 1.035 286 V CB -0.704 31.118 31.823 -0.003 0.000 0.658 286 V HN 0.544 nan 8.190 nan 0.000 0.452 287 D N 0.313 120.698 120.400 -0.023 0.000 2.117 287 D HA -0.142 4.518 4.640 0.034 0.000 0.197 287 D C 2.071 178.373 176.300 0.004 0.000 0.987 287 D CA 1.163 55.158 54.000 -0.008 0.000 0.829 287 D CB -0.371 40.423 40.800 -0.010 0.000 0.961 287 D HN 0.340 nan 8.370 nan 0.000 0.460 288 N N 0.419 119.122 118.700 0.005 0.000 2.142 288 N HA -0.070 4.690 4.740 0.034 0.000 0.186 288 N C 1.680 177.205 175.510 0.026 0.000 1.023 288 N CA 1.190 54.257 53.050 0.028 0.000 0.852 288 N CB -0.344 38.171 38.487 0.046 0.000 0.998 288 N HN 0.124 nan 8.380 nan 0.000 0.424 289 A N 1.040 123.869 122.820 0.015 0.000 1.877 289 A HA -0.127 4.213 4.320 0.034 0.000 0.216 289 A C 2.210 179.795 177.584 0.002 0.000 1.186 289 A CA 1.502 53.543 52.037 0.006 0.000 0.620 289 A CB -0.413 18.588 19.000 0.002 0.000 0.822 289 A HN 0.182 nan 8.150 nan 0.000 0.443 290 K N -0.797 119.606 120.400 0.004 0.000 2.063 290 K HA -0.162 4.178 4.320 0.034 0.000 0.208 290 K C 2.318 178.925 176.600 0.011 0.000 1.048 290 K CA 1.740 58.030 56.287 0.005 0.000 0.928 290 K CB -0.144 32.358 32.500 0.004 0.000 0.713 290 K HN 0.356 nan 8.250 nan 0.000 0.442 291 R N 0.752 121.261 120.500 0.016 0.000 2.066 291 R HA -0.077 4.283 4.340 0.034 0.000 0.232 291 R C 1.977 178.294 176.300 0.028 0.000 1.131 291 R CA 1.195 57.308 56.100 0.022 0.000 0.955 291 R CB -0.826 29.488 30.300 0.024 0.000 0.851 291 R HN 0.149 nan 8.270 nan 0.000 0.432 292 L N 0.356 121.596 121.223 0.029 0.000 2.042 292 L HA -0.023 4.337 4.340 0.034 0.000 0.210 292 L C 2.093 178.978 176.870 0.026 0.000 1.076 292 L CA 2.243 57.101 54.840 0.030 0.000 0.749 292 L CB -1.093 40.982 42.059 0.027 0.000 0.893 292 L HN 0.302 nan 8.230 nan 0.000 0.432 293 A N -1.705 121.125 122.820 0.016 0.000 1.858 293 A HA -0.246 4.095 4.320 0.034 0.000 0.216 293 A C 2.527 180.133 177.584 0.037 0.000 1.190 293 A CA 2.059 54.106 52.037 0.017 0.000 0.617 293 A CB -1.283 17.720 19.000 0.004 0.000 0.827 293 A HN 0.523 nan 8.150 nan 0.000 0.443 294 S N -0.337 115.382 115.700 0.031 0.000 2.365 294 S HA -0.125 4.366 4.470 0.034 0.000 0.225 294 S C 2.167 176.795 174.600 0.048 0.000 1.039 294 S CA 1.891 60.112 58.200 0.034 0.000 1.033 294 S CB -0.530 62.684 63.200 0.024 0.000 0.887 294 S HN 0.882 nan 8.310 nan 0.000 0.447 295 A N 1.004 123.854 122.820 0.051 0.000 1.930 295 A HA 0.107 4.448 4.320 0.034 0.000 0.217 295 A C 2.237 179.884 177.584 0.106 0.000 1.175 295 A CA 1.292 53.367 52.037 0.063 0.000 0.627 295 A CB -0.692 18.341 19.000 0.054 0.000 0.815 295 A HN 0.580 nan 8.150 nan 0.000 0.443 296 L N -0.963 120.336 121.223 0.127 0.000 2.056 296 L HA -0.239 4.122 4.340 0.034 0.000 0.207 296 L C 2.872 179.915 176.870 0.287 0.000 1.078 296 L CA 1.487 56.477 54.840 0.251 0.000 0.749 296 L CB -0.511 41.630 42.059 0.136 0.000 0.901 296 L HN 0.470 nan 8.230 nan 0.000 0.433 297 Q N -0.439 119.454 119.800 0.156 0.000 2.124 297 Q HA -0.234 4.126 4.340 0.034 0.000 0.202 297 Q C 2.037 178.072 176.000 0.059 0.000 0.977 297 Q CA 1.517 57.384 55.803 0.106 0.000 0.850 297 Q CB -0.278 28.501 28.738 0.068 0.000 0.901 297 Q HN 0.498 nan 8.270 nan 0.000 0.429 298 N N 0.461 119.194 118.700 0.055 0.000 2.205 298 N HA -0.183 4.577 4.740 0.034 0.000 0.186 298 N C 1.140 176.651 175.510 0.001 0.000 1.015 298 N CA 0.820 53.886 53.050 0.026 0.000 0.862 298 N CB 0.223 38.728 38.487 0.030 0.000 0.986 298 N HN 0.203 nan 8.380 nan 0.000 0.429 299 E N -0.212 120.000 120.200 0.021 0.000 2.478 299 E HA -0.017 4.353 4.350 0.034 0.000 0.198 299 E C 1.110 177.535 176.600 -0.292 0.000 1.046 299 E CA 0.681 57.034 56.400 -0.078 0.000 0.870 299 E CB -0.148 29.587 29.700 0.058 0.000 0.818 299 E HN 0.598 nan 8.360 nan 0.000 0.527 300 G N 0.764 109.439 108.800 -0.208 0.000 2.159 300 G HA2 -0.240 3.740 3.960 0.034 0.000 0.227 300 G HA3 -0.240 3.740 3.960 0.034 0.000 0.227 300 G C -0.052 174.689 174.900 -0.264 0.000 0.986 300 G CA -0.258 44.699 45.100 -0.239 0.000 0.651 300 G HN 0.129 nan 8.290 nan 0.000 0.523 301 F N 1.697 121.652 119.950 0.007 0.000 2.399 301 F HA 0.573 5.121 4.527 0.035 0.000 0.342 301 F C 1.180 176.985 175.800 0.009 0.000 1.106 301 F CA 0.003 58.007 58.000 0.007 0.000 1.196 301 F CB 1.301 40.304 39.000 0.006 0.000 1.163 301 F HN -0.079 nan 8.300 nan 0.000 0.547 302 T N 4.815 119.503 114.554 0.224 0.000 2.806 302 T HA 0.547 4.918 4.350 0.034 0.000 0.290 302 T C -0.181 174.588 174.700 0.114 0.000 0.966 302 T CA -0.506 61.674 62.100 0.134 0.000 1.060 302 T CB 0.343 69.272 68.868 0.102 0.000 0.927 302 T HN 0.270 nan 8.240 nan 0.000 0.485 303 L N 3.096 124.370 121.223 0.086 0.000 2.317 303 L HA 0.497 4.858 4.340 0.034 0.000 0.281 303 L C 0.140 177.046 176.870 0.060 0.000 1.024 303 L CA -1.332 53.537 54.840 0.048 0.000 0.810 303 L CB 1.568 43.648 42.059 0.036 0.000 1.240 303 L HN 0.318 nan 8.230 nan 0.000 0.427 304 V N 2.879 122.795 119.914 0.003 0.000 2.617 304 V HA -0.091 4.050 4.120 0.034 0.000 0.304 304 V C 1.202 177.372 176.094 0.127 0.000 1.040 304 V CA 1.294 63.581 62.300 -0.021 0.000 1.149 304 V CB 0.861 32.574 31.823 -0.183 0.000 0.914 304 V HN 1.185 nan 8.190 nan 0.000 0.487 305 S N 2.467 118.422 115.700 0.425 0.000 2.981 305 S HA -0.227 4.263 4.470 0.034 0.000 0.274 305 S C 1.327 175.982 174.600 0.092 0.000 1.297 305 S CA 1.205 59.533 58.200 0.213 0.000 1.266 305 S CB -1.962 61.289 63.200 0.085 0.000 1.542 305 S HN 2.848 nan 8.310 nan 0.000 0.674 306 G N -0.385 108.474 108.800 0.098 0.000 2.143 306 G HA2 0.326 4.307 3.960 0.034 0.000 0.248 306 G HA3 0.326 4.307 3.960 0.034 0.000 0.248 306 G C 0.969 175.886 174.900 0.027 0.000 0.991 306 G CA 0.594 45.726 45.100 0.053 0.000 0.689 306 G HN 2.649 nan 8.290 nan 0.000 0.522 307 G N -2.644 106.164 108.800 0.014 0.000 2.439 307 G HA2 0.646 4.626 3.960 0.034 0.000 0.186 307 G HA3 0.646 4.626 3.960 0.034 0.000 0.186 307 G C -0.495 174.386 174.900 -0.033 0.000 1.260 307 G CA 0.926 46.023 45.100 -0.005 0.000 1.020 307 G HN 1.966 nan 8.290 nan 0.000 0.470 308 T N -0.852 113.681 114.554 -0.037 0.000 2.942 308 T HA 0.550 4.920 4.350 0.034 0.000 0.327 308 T C -1.236 173.443 174.700 -0.035 0.000 1.360 308 T CA 0.185 62.252 62.100 -0.055 0.000 1.055 308 T CB 1.785 70.618 68.868 -0.058 0.000 1.261 308 T HN 0.330 nan 8.240 nan 0.000 0.485 309 D N 2.084 122.463 120.400 -0.035 0.000 2.398 309 D HA 0.190 4.851 4.640 0.034 0.000 0.210 309 D C 0.724 177.057 176.300 0.055 0.000 1.094 309 D CA 0.256 54.256 54.000 0.001 0.000 0.839 309 D CB 0.527 41.322 40.800 -0.008 0.000 0.963 309 D HN 0.667 nan 8.370 nan 0.000 0.506 310 N N -0.682 118.055 118.700 0.062 0.000 3.567 310 N HA -0.022 4.738 4.740 0.034 0.000 0.347 310 N C 0.988 176.578 175.510 0.134 0.000 1.553 310 N CA -0.336 52.809 53.050 0.157 0.000 0.636 310 N CB -0.223 38.432 38.487 0.280 0.000 2.483 310 N HN -0.150 nan 8.380 nan 0.000 0.608 311 H N -0.935 118.154 119.070 0.033 0.000 2.551 311 H HA 0.317 4.894 4.556 0.035 0.000 0.266 311 H C 0.046 175.386 175.328 0.020 0.000 0.964 311 H CA -0.058 56.000 56.048 0.017 0.000 1.180 311 H CB -0.371 29.410 29.762 0.031 0.000 1.408 311 H HN 0.512 nan 8.280 nan 0.000 0.563 312 L N -0.044 120.897 121.223 -0.469 0.000 2.333 312 L HA 0.682 5.042 4.340 0.034 0.000 0.263 312 L C -1.133 175.608 176.870 -0.215 0.000 1.014 312 L CA -1.626 52.970 54.840 -0.407 0.000 0.820 312 L CB 2.258 43.947 42.059 -0.617 0.000 1.352 312 L HN 0.034 nan 8.230 nan 0.000 0.421 313 L N 0.123 121.252 121.223 -0.157 0.000 2.415 313 L HA 0.794 5.154 4.340 0.034 0.000 0.256 313 L C -1.590 175.216 176.870 -0.106 0.000 1.010 313 L CA -0.800 53.973 54.840 -0.112 0.000 0.826 313 L CB 2.053 44.064 42.059 -0.079 0.000 1.405 313 L HN 0.754 nan 8.230 nan 0.000 0.410 314 L N 2.173 123.341 121.223 -0.091 0.000 2.376 314 L HA 0.662 5.023 4.340 0.034 0.000 0.275 314 L C -0.997 175.826 176.870 -0.079 0.000 0.987 314 L CA -0.925 53.861 54.840 -0.090 0.000 0.828 314 L CB 2.136 44.140 42.059 -0.092 0.000 1.249 314 L HN 0.587 nan 8.230 nan 0.000 0.409 315 V N 2.745 122.604 119.914 -0.091 0.000 2.432 315 V HA 0.118 4.258 4.120 0.034 0.000 0.271 315 V C -0.046 176.021 176.094 -0.045 0.000 1.046 315 V CA -0.488 61.765 62.300 -0.079 0.000 0.945 315 V CB 1.348 33.064 31.823 -0.178 0.000 0.992 315 V HN 0.603 nan 8.190 nan 0.000 0.471 316 D N 4.626 125.022 120.400 -0.006 0.000 2.365 316 D HA 0.200 4.861 4.640 0.034 0.000 0.237 316 D C 0.640 176.975 176.300 0.058 0.000 1.190 316 D CA -0.028 53.977 54.000 0.008 0.000 0.867 316 D CB 1.096 41.902 40.800 0.010 0.000 1.050 316 D HN 0.453 nan 8.370 nan 0.000 0.491 317 L N 3.591 124.843 121.223 0.049 0.000 2.591 317 L HA 0.164 4.525 4.340 0.034 0.000 0.228 317 L C 2.368 179.284 176.870 0.077 0.000 1.133 317 L CA -0.113 54.778 54.840 0.086 0.000 0.880 317 L CB -0.037 42.058 42.059 0.061 0.000 1.033 317 L HN 0.289 nan 8.230 nan 0.000 0.450 318 R N 0.644 121.178 120.500 0.057 0.000 2.119 318 R HA -0.197 4.164 4.340 0.034 0.000 0.246 318 R C -0.348 175.980 176.300 0.047 0.000 1.146 318 R CA 1.729 57.858 56.100 0.048 0.000 0.962 318 R CB -1.612 28.713 30.300 0.042 0.000 0.863 318 R HN 0.316 nan 8.270 nan 0.000 0.442 319 P HA -0.149 nan 4.420 nan 0.000 0.217 319 P C 0.586 177.904 177.300 0.031 0.000 1.148 319 P CA 1.306 64.429 63.100 0.037 0.000 0.828 319 P CB 0.113 31.836 31.700 0.038 0.000 0.783 320 Q N -1.243 118.589 119.800 0.054 0.000 2.360 320 Q HA 0.102 4.463 4.340 0.034 0.000 0.202 320 Q C 0.273 176.301 176.000 0.046 0.000 0.915 320 Q CA 0.137 55.970 55.803 0.051 0.000 0.943 320 Q CB -0.464 28.335 28.738 0.102 0.000 1.064 320 Q HN 0.126 nan 8.270 nan 0.000 0.511 321 Q N -0.256 119.569 119.800 0.042 0.000 2.453 321 Q HA -0.217 4.143 4.340 0.034 0.000 0.294 321 Q C -0.988 175.036 176.000 0.039 0.000 1.295 321 Q CA 0.760 56.584 55.803 0.035 0.000 0.853 321 Q CB -1.886 26.867 28.738 0.026 0.000 1.193 321 Q HN 0.398 nan 8.270 nan 0.000 0.461 322 L N 0.023 121.275 121.223 0.048 0.000 2.346 322 L HA 0.491 4.851 4.340 0.034 0.000 0.274 322 L C 0.971 177.864 176.870 0.038 0.000 1.007 322 L CA -0.685 54.183 54.840 0.046 0.000 0.818 322 L CB 1.867 43.962 42.059 0.060 0.000 1.284 322 L HN 0.095 nan 8.230 nan 0.000 0.424 323 T N -1.595 112.978 114.554 0.031 0.000 2.882 323 T HA 0.237 4.607 4.350 0.034 0.000 0.287 323 T C 1.265 175.976 174.700 0.018 0.000 1.014 323 T CA -0.079 62.036 62.100 0.025 0.000 1.049 323 T CB 1.604 70.488 68.868 0.027 0.000 1.001 323 T HN 0.709 nan 8.240 nan 0.000 0.525 324 G N 0.316 109.121 108.800 0.008 0.000 2.422 324 G HA2 -0.198 3.783 3.960 0.034 0.000 0.218 324 G HA3 -0.198 3.783 3.960 0.034 0.000 0.218 324 G C 1.370 176.271 174.900 0.002 0.000 1.146 324 G CA 0.851 45.948 45.100 -0.004 0.000 0.769 324 G HN 0.850 nan 8.290 nan 0.000 0.547 325 K N -0.151 120.257 120.400 0.014 0.000 2.026 325 K HA -0.107 4.233 4.320 0.034 0.000 0.208 325 K C 2.567 179.178 176.600 0.020 0.000 1.048 325 K CA 1.759 58.059 56.287 0.021 0.000 0.929 325 K CB -0.343 32.178 32.500 0.035 0.000 0.713 325 K HN 0.262 nan 8.250 nan 0.000 0.439 326 T N 0.791 115.358 114.554 0.021 0.000 2.708 326 T HA -0.135 4.235 4.350 0.034 0.000 0.266 326 T C 1.865 176.577 174.700 0.020 0.000 1.037 326 T CA 1.411 63.524 62.100 0.022 0.000 1.146 326 T CB -0.345 68.539 68.868 0.026 0.000 0.865 326 T HN 0.434 nan 8.240 nan 0.000 0.435 327 A N 1.383 124.212 122.820 0.016 0.000 1.883 327 A HA -0.175 4.165 4.320 0.034 0.000 0.217 327 A C 2.221 179.805 177.584 0.000 0.000 1.186 327 A CA 2.072 54.114 52.037 0.009 0.000 0.624 327 A CB -0.740 18.256 19.000 -0.006 0.000 0.822 327 A HN 0.643 nan 8.150 nan 0.000 0.444 328 E N -0.131 120.067 120.200 -0.002 0.000 2.085 328 E HA -0.281 4.089 4.350 0.034 0.000 0.194 328 E C 2.101 178.705 176.600 0.007 0.000 0.994 328 E CA 1.714 58.113 56.400 -0.002 0.000 0.801 328 E CB -0.163 29.537 29.700 -0.001 0.000 0.743 328 E HN 0.641 nan 8.360 nan 0.000 0.453 329 K N 0.229 120.636 120.400 0.012 0.000 2.025 329 K HA -0.119 4.222 4.320 0.034 0.000 0.207 329 K C 2.172 178.781 176.600 0.016 0.000 1.049 329 K CA 1.317 57.612 56.287 0.015 0.000 0.933 329 K CB -0.194 32.316 32.500 0.017 0.000 0.714 329 K HN 0.138 nan 8.250 nan 0.000 0.438 330 V N 1.434 121.358 119.914 0.017 0.000 2.427 330 V HA -0.170 3.970 4.120 0.034 0.000 0.248 330 V C 2.073 178.179 176.094 0.019 0.000 1.051 330 V CA 1.362 63.674 62.300 0.020 0.000 1.048 330 V CB -0.173 31.666 31.823 0.025 0.000 0.666 330 V HN 0.339 nan 8.190 nan 0.000 0.456 331 L N 0.137 121.369 121.223 0.015 0.000 2.046 331 L HA -0.179 4.181 4.340 0.034 0.000 0.208 331 L C 2.375 179.254 176.870 0.015 0.000 1.077 331 L CA 2.230 57.078 54.840 0.013 0.000 0.747 331 L CB -0.709 41.350 42.059 0.000 0.000 0.896 331 L HN 0.462 nan 8.230 nan 0.000 0.432 332 D N 0.228 120.636 120.400 0.014 0.000 2.158 332 D HA -0.250 4.411 4.640 0.034 0.000 0.197 332 D C 1.966 178.277 176.300 0.018 0.000 0.995 332 D CA 1.383 55.392 54.000 0.016 0.000 0.846 332 D CB 0.096 40.905 40.800 0.015 0.000 0.941 332 D HN 0.316 nan 8.370 nan 0.000 0.456 333 E N -0.656 119.554 120.200 0.018 0.000 2.265 333 E HA -0.124 4.247 4.350 0.034 0.000 0.196 333 E C 1.958 178.569 176.600 0.020 0.000 0.996 333 E CA 1.149 57.559 56.400 0.018 0.000 0.832 333 E CB 0.153 29.864 29.700 0.018 0.000 0.756 333 E HN 0.467 nan 8.360 nan 0.000 0.491 334 V N -3.895 116.032 119.914 0.022 0.000 3.578 334 V HA 0.458 4.598 4.120 0.034 0.000 0.290 334 V C 1.074 177.184 176.094 0.026 0.000 1.376 334 V CA 0.441 62.756 62.300 0.024 0.000 1.083 334 V CB 0.351 32.190 31.823 0.027 0.000 0.911 334 V HN 0.224 nan 8.190 nan 0.000 0.433 335 G N 0.941 109.756 108.800 0.025 0.000 2.134 335 G HA2 -0.185 3.796 3.960 0.034 0.000 0.209 335 G HA3 -0.185 3.796 3.960 0.034 0.000 0.209 335 G C -0.200 174.718 174.900 0.031 0.000 0.993 335 G CA 0.153 45.269 45.100 0.027 0.000 0.669 335 G HN 0.595 nan 8.290 nan 0.000 0.519 336 I N 1.996 122.583 120.570 0.028 0.000 2.339 336 I HA 0.362 4.552 4.170 0.034 0.000 0.290 336 I C 0.072 176.199 176.117 0.017 0.000 0.994 336 I CA -0.537 60.779 61.300 0.026 0.000 1.191 336 I CB 1.785 39.800 38.000 0.025 0.000 1.343 336 I HN 0.013 nan 8.210 nan 0.000 0.458 337 T N 6.574 121.138 114.554 0.017 0.000 2.781 337 T HA 0.455 4.825 4.350 0.034 0.000 0.305 337 T C 0.050 174.751 174.700 0.002 0.000 1.001 337 T CA -0.526 61.581 62.100 0.012 0.000 0.950 337 T CB 0.706 69.585 68.868 0.019 0.000 0.955 337 T HN 0.427 nan 8.240 nan 0.000 0.471 338 V N 1.155 121.066 119.914 -0.005 0.000 3.181 338 V HA 0.792 4.932 4.120 0.034 0.000 0.314 338 V C -0.833 175.255 176.094 -0.010 0.000 1.173 338 V CA -1.376 60.915 62.300 -0.014 0.000 1.052 338 V CB 2.334 34.138 31.823 -0.032 0.000 1.123 338 V HN 0.837 nan 8.190 nan 0.000 0.454 339 N N 0.219 118.910 118.700 -0.015 0.000 2.258 339 N HA 0.329 5.090 4.740 0.034 0.000 0.299 339 N C -0.724 174.770 175.510 -0.027 0.000 1.047 339 N CA -0.772 52.270 53.050 -0.015 0.000 0.814 339 N CB 2.508 40.990 38.487 -0.007 0.000 1.413 339 N HN 1.004 nan 8.380 nan 0.000 0.478 340 K N 1.421 121.807 120.400 -0.024 0.000 2.527 340 K HA 0.027 4.367 4.320 0.034 0.000 0.278 340 K C -0.961 175.612 176.600 -0.045 0.000 0.981 340 K CA 0.087 56.356 56.287 -0.030 0.000 1.009 340 K CB 0.262 32.752 32.500 -0.018 0.000 0.895 340 K HN 0.709 nan 8.250 nan 0.000 0.493 341 N N 0.764 119.432 118.700 -0.053 0.000 2.406 341 N HA 0.093 4.853 4.740 0.034 0.000 0.283 341 N C -1.677 173.793 175.510 -0.067 0.000 1.074 341 N CA -0.601 52.410 53.050 -0.066 0.000 0.916 341 N CB 1.789 40.237 38.487 -0.064 0.000 1.639 341 N HN 0.788 nan 8.380 nan 0.000 0.485 342 T N 0.667 115.175 114.554 -0.077 0.000 2.932 342 T HA 0.341 4.711 4.350 0.034 0.000 0.312 342 T C 0.701 175.360 174.700 -0.068 0.000 1.071 342 T CA -0.386 61.674 62.100 -0.068 0.000 1.128 342 T CB -0.045 68.778 68.868 -0.074 0.000 0.984 342 T HN 0.429 nan 8.240 nan 0.000 0.549 343 I N -0.862 119.667 120.570 -0.068 0.000 2.707 343 I HA 0.647 4.838 4.170 0.034 0.000 0.309 343 I C -2.862 173.183 176.117 -0.120 0.000 1.001 343 I CA -3.744 57.491 61.300 -0.107 0.000 1.129 343 I CB 1.167 39.096 38.000 -0.118 0.000 1.308 343 I HN 0.310 nan 8.210 nan 0.000 0.466 344 P HA 0.004 nan 4.420 nan 0.000 0.262 344 P C -1.246 176.000 177.300 -0.090 0.000 1.182 344 P CA 0.750 63.630 63.100 -0.368 0.000 0.761 344 P CB -0.241 31.275 31.700 -0.305 0.000 0.795 345 Y N -0.528 119.728 120.300 -0.072 0.000 3.689 345 Y HA -0.259 4.312 4.550 0.034 0.000 0.221 345 Y C 0.809 176.721 175.900 0.020 0.000 1.247 345 Y CA 0.319 58.438 58.100 0.032 0.000 1.671 345 Y CB -2.394 36.080 38.460 0.023 0.000 1.521 345 Y HN 0.388 nan 8.280 nan 0.000 0.632 346 D N 2.095 122.535 120.400 0.068 0.000 2.450 346 D HA 0.036 4.697 4.640 0.034 0.000 0.247 346 D C -0.725 175.611 176.300 0.060 0.000 1.162 346 D CA -1.069 52.958 54.000 0.046 0.000 0.879 346 D CB 1.111 41.914 40.800 0.005 0.000 1.163 346 D HN 0.165 nan 8.370 nan 0.000 0.472 347 P HA -0.036 nan 4.420 nan 0.000 0.226 347 P C -0.005 177.322 177.300 0.045 0.000 1.153 347 P CA 0.663 63.796 63.100 0.056 0.000 0.777 347 P CB 0.565 32.295 31.700 0.051 0.000 0.794 348 E N 0.482 120.704 120.200 0.038 0.000 2.250 348 E HA 0.236 4.607 4.350 0.034 0.000 0.269 348 E C 0.438 177.061 176.600 0.039 0.000 1.018 348 E CA -0.473 55.950 56.400 0.039 0.000 0.873 348 E CB 1.194 30.914 29.700 0.034 0.000 1.134 348 E HN 0.059 nan 8.360 nan 0.000 0.403 349 S N 1.265 117.003 115.700 0.063 0.000 2.576 349 S HA 0.067 4.557 4.470 0.034 0.000 0.272 349 S C -1.592 173.033 174.600 0.041 0.000 1.352 349 S CA -0.898 57.356 58.200 0.090 0.000 1.021 349 S CB 0.564 63.873 63.200 0.183 0.000 0.887 349 S HN 0.249 nan 8.310 nan 0.000 0.542 350 P HA -0.037 nan 4.420 nan 0.000 0.225 350 P C 0.607 177.708 177.300 -0.332 0.000 1.148 350 P CA 1.124 64.075 63.100 -0.249 0.000 0.779 350 P CB -0.221 31.220 31.700 -0.431 0.000 0.780 351 F N -1.714 118.224 119.950 -0.019 0.000 2.754 351 F HA 0.035 4.582 4.527 0.034 0.000 0.297 351 F C 2.109 177.903 175.800 -0.010 0.000 1.122 351 F CA 0.342 58.333 58.000 -0.015 0.000 1.400 351 F CB -0.197 38.795 39.000 -0.014 0.000 1.117 351 F HN -0.263 nan 8.300 nan 0.000 0.587 352 V N -1.888 118.103 119.914 0.129 0.000 3.001 352 V HA 0.155 4.295 4.120 0.034 0.000 0.228 352 V C 0.579 176.693 176.094 0.033 0.000 1.204 352 V CA 0.880 63.227 62.300 0.078 0.000 1.247 352 V CB -0.023 31.846 31.823 0.075 0.000 1.093 352 V HN 0.370 nan 8.190 nan 0.000 0.504 353 T N -0.722 113.843 114.554 0.019 0.000 0.541 353 T HA -0.219 4.152 4.350 0.034 0.000 0.774 353 T C 0.142 174.844 174.700 0.003 0.000 0.992 353 T CA 0.372 62.469 62.100 -0.005 0.000 4.077 353 T CB -1.432 67.418 68.868 -0.030 0.000 2.303 353 T HN 0.361 nan 8.240 nan 0.000 0.398 354 S N 1.233 116.931 115.700 -0.003 0.000 2.575 354 S HA 0.579 5.070 4.470 0.034 0.000 0.237 354 S C 0.797 175.392 174.600 -0.009 0.000 0.975 354 S CA -0.060 58.142 58.200 0.003 0.000 0.960 354 S CB 0.571 63.777 63.200 0.010 0.000 0.822 354 S HN 1.236 nan 8.310 nan 0.000 0.472 355 G N 1.542 110.327 108.800 -0.025 0.000 2.672 355 G HA2 0.726 4.706 3.960 0.034 0.000 0.292 355 G HA3 0.726 4.706 3.960 0.034 0.000 0.292 355 G C -1.207 173.664 174.900 -0.049 0.000 1.375 355 G CA -0.917 44.158 45.100 -0.041 0.000 0.890 355 G HN 0.312 nan 8.290 nan 0.000 0.476 356 I N -1.861 118.669 120.570 -0.067 0.000 2.608 356 I HA 0.743 4.934 4.170 0.034 0.000 0.295 356 I C -0.340 175.729 176.117 -0.081 0.000 1.049 356 I CA -1.212 60.044 61.300 -0.072 0.000 1.063 356 I CB 2.484 40.434 38.000 -0.082 0.000 1.248 356 I HN 0.436 nan 8.210 nan 0.000 0.424 357 R N 5.732 126.192 120.500 -0.068 0.000 2.368 357 R HA 0.768 5.128 4.340 0.034 0.000 0.302 357 R C -1.530 174.732 176.300 -0.062 0.000 1.002 357 R CA -0.562 55.495 56.100 -0.071 0.000 0.929 357 R CB 1.306 31.569 30.300 -0.061 0.000 1.073 357 R HN 0.817 nan 8.270 nan 0.000 0.464 358 I N 2.733 123.259 120.570 -0.074 0.000 2.569 358 I HA 0.420 4.611 4.170 0.034 0.000 0.290 358 I C -0.025 176.054 176.117 -0.064 0.000 1.088 358 I CA -0.771 60.493 61.300 -0.059 0.000 1.047 358 I CB 2.422 40.380 38.000 -0.070 0.000 1.237 358 I HN 0.768 nan 8.210 nan 0.000 0.421 359 G N 1.571 110.355 108.800 -0.026 0.000 2.533 359 G HA2 0.523 4.503 3.960 0.034 0.000 0.304 359 G HA3 0.523 4.503 3.960 0.034 0.000 0.304 359 G C 0.180 175.100 174.900 0.033 0.000 1.263 359 G CA -0.283 44.814 45.100 -0.006 0.000 0.964 359 G HN 0.585 nan 8.290 nan 0.000 0.479 360 T N -2.352 112.238 114.554 0.060 0.000 3.054 360 T HA 0.366 4.736 4.350 0.034 0.000 0.255 360 T C 2.134 176.877 174.700 0.071 0.000 1.035 360 T CA 1.173 63.307 62.100 0.056 0.000 0.941 360 T CB 0.655 69.552 68.868 0.048 0.000 1.026 360 T HN 0.699 nan 8.240 nan 0.000 0.533 361 A N 1.926 124.807 122.820 0.103 0.000 1.908 361 A HA 0.259 4.600 4.320 0.034 0.000 0.218 361 A C 2.697 180.379 177.584 0.164 0.000 1.181 361 A CA 1.832 53.949 52.037 0.134 0.000 0.627 361 A CB -1.342 17.739 19.000 0.135 0.000 0.818 361 A HN 0.722 nan 8.150 nan 0.000 0.445 362 A N -0.120 122.722 122.820 0.036 0.000 1.855 362 A HA 0.013 4.353 4.320 0.034 0.000 0.215 362 A C 2.338 179.997 177.584 0.125 0.000 1.191 362 A CA 2.280 54.291 52.037 -0.043 0.000 0.613 362 A CB -1.327 17.495 19.000 -0.296 0.000 0.829 362 A HN 1.144 nan 8.150 nan 0.000 0.442 363 V N -2.382 117.523 119.914 -0.015 0.000 2.490 363 V HA -0.175 3.966 4.120 0.034 0.000 0.250 363 V C 2.154 178.201 176.094 -0.078 0.000 1.061 363 V CA 2.650 64.787 62.300 -0.273 0.000 1.064 363 V CB -1.894 29.684 31.823 -0.409 0.000 0.670 363 V HN 0.427 nan 8.190 nan 0.000 0.461 364 T N 0.555 115.180 114.554 0.117 0.000 2.777 364 T HA -0.153 4.217 4.350 0.034 0.000 0.266 364 T C 1.959 176.857 174.700 0.330 0.000 1.040 364 T CA 2.220 64.459 62.100 0.232 0.000 1.141 364 T CB -0.657 68.313 68.868 0.170 0.000 0.868 364 T HN 0.641 nan 8.240 nan 0.000 0.444 365 T N 1.828 116.598 114.554 0.360 0.000 2.737 365 T HA -0.094 4.277 4.350 0.034 0.000 0.269 365 T C 1.982 176.755 174.700 0.121 0.000 1.040 365 T CA 0.923 63.119 62.100 0.159 0.000 1.142 365 T CB -0.166 68.786 68.868 0.140 0.000 0.861 365 T HN 0.267 nan 8.240 nan 0.000 0.456 366 R N 0.156 120.720 120.500 0.108 0.000 2.316 366 R HA 0.065 4.425 4.340 0.034 0.000 0.202 366 R C 1.818 178.213 176.300 0.158 0.000 1.029 366 R CA 0.750 56.868 56.100 0.031 0.000 1.018 366 R CB -0.112 30.092 30.300 -0.161 0.000 0.888 366 R HN 0.579 nan 8.270 nan 0.000 0.471 367 G N 0.075 109.003 108.800 0.213 0.000 2.179 367 G HA2 -0.241 3.740 3.960 0.034 0.000 0.220 367 G HA3 -0.241 3.740 3.960 0.034 0.000 0.220 367 G C 0.203 175.309 174.900 0.343 0.000 0.990 367 G CA -0.554 44.690 45.100 0.241 0.000 0.646 367 G HN 0.265 nan 8.290 nan 0.000 0.517 368 F N 1.264 121.256 119.950 0.071 0.000 2.572 368 F HA 0.414 4.963 4.527 0.036 0.000 0.370 368 F C 1.526 177.356 175.800 0.051 0.000 1.103 368 F CA 0.352 58.385 58.000 0.055 0.000 1.286 368 F CB 0.908 39.943 39.000 0.058 0.000 1.105 368 F HN 0.232 nan 8.300 nan 0.000 0.583 369 G N 2.373 111.263 108.800 0.151 0.000 3.217 369 G HA2 0.413 4.393 3.960 0.034 0.000 0.213 369 G HA3 0.413 4.393 3.960 0.034 0.000 0.213 369 G C 0.573 175.509 174.900 0.061 0.000 1.294 369 G CA -0.826 44.329 45.100 0.092 0.000 0.987 369 G HN 0.571 nan 8.290 nan 0.000 0.584 370 L N -0.157 121.088 121.223 0.037 0.000 2.012 370 L HA -0.080 4.280 4.340 0.034 0.000 0.210 370 L C 2.844 179.721 176.870 0.011 0.000 1.073 370 L CA 1.170 56.025 54.840 0.026 0.000 0.748 370 L CB -0.384 41.686 42.059 0.018 0.000 0.891 370 L HN 0.361 nan 8.230 nan 0.000 0.431 371 E N 0.517 120.712 120.200 -0.008 0.000 2.070 371 E HA -0.236 4.134 4.350 0.034 0.000 0.197 371 E C 2.107 178.676 176.600 -0.052 0.000 1.004 371 E CA 1.409 57.791 56.400 -0.029 0.000 0.805 371 E CB -0.243 29.431 29.700 -0.044 0.000 0.744 371 E HN 0.481 nan 8.360 nan 0.000 0.451 372 E N 0.015 120.161 120.200 -0.090 0.000 2.110 372 E HA -0.119 4.252 4.350 0.034 0.000 0.193 372 E C 1.994 178.593 176.600 -0.003 0.000 0.988 372 E CA 0.861 57.171 56.400 -0.151 0.000 0.804 372 E CB -0.173 29.291 29.700 -0.394 0.000 0.745 372 E HN 0.160 nan 8.360 nan 0.000 0.458 373 M N 0.794 120.424 119.600 0.051 0.000 2.080 373 M HA -0.148 4.352 4.480 0.034 0.000 0.260 373 M C 1.386 177.715 176.300 0.047 0.000 1.068 373 M CA 1.435 56.778 55.300 0.072 0.000 1.109 373 M CB -0.982 31.658 32.600 0.065 0.000 1.342 373 M HN 0.049 nan 8.290 nan 0.000 0.405 374 D N 0.129 120.546 120.400 0.028 0.000 2.123 374 D HA -0.185 4.475 4.640 0.034 0.000 0.196 374 D C 1.995 178.310 176.300 0.026 0.000 0.992 374 D CA 1.389 55.405 54.000 0.026 0.000 0.833 374 D CB -0.262 40.546 40.800 0.014 0.000 0.954 374 D HN 0.394 nan 8.370 nan 0.000 0.455 375 E N 0.671 120.876 120.200 0.009 0.000 2.072 375 E HA -0.096 4.274 4.350 0.034 0.000 0.191 375 E C 2.137 178.756 176.600 0.031 0.000 0.985 375 E CA 0.667 57.071 56.400 0.006 0.000 0.801 375 E CB -0.387 29.295 29.700 -0.031 0.000 0.750 375 E HN 0.275 nan 8.360 nan 0.000 0.452 376 I N 0.628 121.227 120.570 0.049 0.000 2.163 376 I HA -0.324 3.866 4.170 0.034 0.000 0.243 376 I C 2.418 178.571 176.117 0.060 0.000 1.085 376 I CA 1.315 62.658 61.300 0.072 0.000 1.347 376 I CB -0.478 37.587 38.000 0.109 0.000 1.044 376 I HN 0.223 nan 8.210 nan 0.000 0.408 377 A N 0.606 123.463 122.820 0.062 0.000 1.902 377 A HA -0.179 4.161 4.320 0.034 0.000 0.217 377 A C 2.535 180.188 177.584 0.116 0.000 1.181 377 A CA 1.935 54.022 52.037 0.083 0.000 0.623 377 A CB -0.869 18.184 19.000 0.089 0.000 0.818 377 A HN 0.452 nan 8.150 nan 0.000 0.443 378 A N -0.079 122.790 122.820 0.083 0.000 1.902 378 A HA -0.067 4.273 4.320 0.034 0.000 0.217 378 A C 2.110 179.742 177.584 0.079 0.000 1.181 378 A CA 1.515 53.598 52.037 0.075 0.000 0.623 378 A CB -0.597 18.429 19.000 0.045 0.000 0.818 378 A HN 0.504 nan 8.150 nan 0.000 0.443 379 I N -0.369 120.241 120.570 0.066 0.000 2.179 379 I HA -0.255 3.935 4.170 0.034 0.000 0.242 379 I C 2.281 178.445 176.117 0.078 0.000 1.088 379 I CA 1.322 62.659 61.300 0.061 0.000 1.357 379 I CB -0.368 37.662 38.000 0.050 0.000 1.051 379 I HN 0.283 nan 8.210 nan 0.000 0.409 380 I N 0.841 121.460 120.570 0.081 0.000 2.208 380 I HA -0.252 3.938 4.170 0.034 0.000 0.245 380 I C 2.699 178.950 176.117 0.223 0.000 1.097 380 I CA 1.735 63.082 61.300 0.078 0.000 1.363 380 I CB -0.963 37.014 38.000 -0.039 0.000 1.051 380 I HN 0.290 nan 8.210 nan 0.000 0.413 381 G N 1.088 110.086 108.800 0.329 0.000 2.459 381 G HA2 -0.298 3.682 3.960 0.034 0.000 0.217 381 G HA3 -0.298 3.682 3.960 0.034 0.000 0.217 381 G C 1.652 176.647 174.900 0.159 0.000 1.183 381 G CA 0.964 46.261 45.100 0.328 0.000 0.776 381 G HN 0.299 nan 8.290 nan 0.000 0.552 382 L N 0.683 121.971 121.223 0.107 0.000 2.013 382 L HA -0.080 4.280 4.340 0.034 0.000 0.212 382 L C 2.882 179.794 176.870 0.071 0.000 1.073 382 L CA 1.700 56.580 54.840 0.067 0.000 0.753 382 L CB -0.538 41.552 42.059 0.051 0.000 0.890 382 L HN 0.100 nan 8.230 nan 0.000 0.432 383 V N -0.451 119.514 119.914 0.085 0.000 2.283 383 V HA -0.256 3.885 4.120 0.034 0.000 0.243 383 V C 2.447 178.594 176.094 0.089 0.000 1.039 383 V CA 2.004 64.348 62.300 0.073 0.000 1.016 383 V CB -0.486 31.373 31.823 0.061 0.000 0.650 383 V HN 0.444 nan 8.190 nan 0.000 0.449 384 L N -0.548 120.762 121.223 0.144 0.000 2.291 384 L HA -0.064 4.297 4.340 0.034 0.000 0.214 384 L C 2.235 179.184 176.870 0.133 0.000 1.120 384 L CA 1.194 56.135 54.840 0.167 0.000 0.799 384 L CB -0.519 41.705 42.059 0.275 0.000 0.925 384 L HN 0.292 nan 8.230 nan 0.000 0.446 385 K N 0.383 120.844 120.400 0.102 0.000 2.426 385 K HA 0.042 4.383 4.320 0.034 0.000 0.193 385 K C -0.053 176.565 176.600 0.029 0.000 1.028 385 K CA 0.396 56.703 56.287 0.035 0.000 1.047 385 K CB 0.084 32.574 32.500 -0.016 0.000 0.821 385 K HN 0.335 nan 8.250 nan 0.000 0.513 386 N N -0.110 118.615 118.700 0.041 0.000 2.628 386 N HA 0.045 4.806 4.740 0.034 0.000 0.299 386 N C 0.224 175.753 175.510 0.032 0.000 1.834 386 N CA -0.098 52.970 53.050 0.030 0.000 0.871 386 N CB 1.380 39.882 38.487 0.025 0.000 1.377 386 N HN -0.208 nan 8.380 nan 0.000 0.493 387 V N -0.444 119.491 119.914 0.035 0.000 2.720 387 V HA -0.095 4.046 4.120 0.034 0.000 0.256 387 V C 2.023 178.132 176.094 0.025 0.000 1.082 387 V CA 2.139 64.459 62.300 0.033 0.000 1.101 387 V CB -0.331 31.514 31.823 0.036 0.000 0.693 387 V HN 0.623 nan 8.190 nan 0.000 0.479 388 G N -1.281 107.532 108.800 0.022 0.000 3.088 388 G HA2 0.050 4.031 3.960 0.034 0.000 0.217 388 G HA3 0.050 4.031 3.960 0.034 0.000 0.217 388 G C 0.617 175.527 174.900 0.016 0.000 1.159 388 G CA 0.577 45.687 45.100 0.017 0.000 0.760 388 G HN 0.422 nan 8.290 nan 0.000 0.550 389 S N 0.503 116.213 115.700 0.017 0.000 2.461 389 S HA 0.308 4.799 4.470 0.034 0.000 0.322 389 S C 1.100 175.710 174.600 0.016 0.000 1.063 389 S CA -0.562 57.647 58.200 0.015 0.000 1.120 389 S CB 0.812 64.021 63.200 0.015 0.000 0.968 389 S HN 0.168 nan 8.310 nan 0.000 0.467 390 E N 3.616 123.825 120.200 0.014 0.000 2.153 390 E HA -0.154 4.217 4.350 0.034 0.000 0.194 390 E C 1.679 178.288 176.600 0.014 0.000 0.988 390 E CA 1.235 57.643 56.400 0.014 0.000 0.811 390 E CB -0.003 29.704 29.700 0.012 0.000 0.746 390 E HN 0.788 nan 8.360 nan 0.000 0.466 391 Q N 0.218 120.026 119.800 0.013 0.000 2.050 391 Q HA -0.100 4.261 4.340 0.034 0.000 0.202 391 Q C 2.245 178.254 176.000 0.015 0.000 0.980 391 Q CA 1.467 57.278 55.803 0.013 0.000 0.840 391 Q CB -0.226 28.519 28.738 0.011 0.000 0.898 391 Q HN 0.249 nan 8.270 nan 0.000 0.424 392 A N 1.117 123.947 122.820 0.016 0.000 1.892 392 A HA -0.213 4.128 4.320 0.034 0.000 0.218 392 A C 2.079 179.677 177.584 0.023 0.000 1.188 392 A CA 1.440 53.489 52.037 0.020 0.000 0.631 392 A CB -0.863 18.151 19.000 0.022 0.000 0.822 392 A HN 0.315 nan 8.150 nan 0.000 0.447 393 L N -1.185 120.051 121.223 0.022 0.000 2.093 393 L HA -0.171 4.189 4.340 0.034 0.000 0.208 393 L C 2.648 179.530 176.870 0.021 0.000 1.085 393 L CA 1.652 56.506 54.840 0.023 0.000 0.755 393 L CB -0.545 41.528 42.059 0.022 0.000 0.904 393 L HN 0.473 nan 8.230 nan 0.000 0.435 394 E N 0.824 121.035 120.200 0.018 0.000 2.072 394 E HA -0.266 4.105 4.350 0.034 0.000 0.191 394 E C 2.017 178.628 176.600 0.017 0.000 0.985 394 E CA 1.486 57.895 56.400 0.017 0.000 0.801 394 E CB -0.031 29.677 29.700 0.014 0.000 0.750 394 E HN 0.407 nan 8.360 nan 0.000 0.452 395 E N -0.300 119.910 120.200 0.017 0.000 2.058 395 E HA -0.255 4.115 4.350 0.034 0.000 0.194 395 E C 1.961 178.573 176.600 0.019 0.000 0.997 395 E CA 1.259 57.669 56.400 0.017 0.000 0.801 395 E CB -0.297 29.413 29.700 0.016 0.000 0.746 395 E HN 0.322 nan 8.360 nan 0.000 0.450 396 A N 1.539 124.374 122.820 0.024 0.000 1.883 396 A HA -0.250 4.090 4.320 0.034 0.000 0.217 396 A C 2.245 179.845 177.584 0.026 0.000 1.186 396 A CA 1.843 53.896 52.037 0.028 0.000 0.624 396 A CB -0.721 18.299 19.000 0.032 0.000 0.822 396 A HN 0.274 nan 8.150 nan 0.000 0.444 397 R N -0.558 119.956 120.500 0.024 0.000 2.103 397 R HA -0.219 4.141 4.340 0.034 0.000 0.242 397 R C 2.446 178.760 176.300 0.022 0.000 1.142 397 R CA 2.083 58.197 56.100 0.023 0.000 0.960 397 R CB -0.295 30.017 30.300 0.021 0.000 0.858 397 R HN 0.744 nan 8.270 nan 0.000 0.439 398 Q N -0.658 119.153 119.800 0.019 0.000 2.119 398 Q HA -0.138 4.222 4.340 0.034 0.000 0.201 398 Q C 2.181 178.190 176.000 0.015 0.000 0.972 398 Q CA 1.391 57.204 55.803 0.016 0.000 0.847 398 Q CB 0.013 28.759 28.738 0.013 0.000 0.903 398 Q HN 0.331 nan 8.270 nan 0.000 0.433 399 R N -0.111 120.399 120.500 0.016 0.000 2.092 399 R HA -0.075 4.286 4.340 0.034 0.000 0.231 399 R C 2.320 178.630 176.300 0.017 0.000 1.119 399 R CA 0.995 57.103 56.100 0.012 0.000 0.970 399 R CB -0.257 30.051 30.300 0.014 0.000 0.864 399 R HN 0.065 nan 8.270 nan 0.000 0.440 400 V N 1.198 121.129 119.914 0.029 0.000 2.261 400 V HA -0.276 3.864 4.120 0.034 0.000 0.246 400 V C 2.475 178.590 176.094 0.036 0.000 1.047 400 V CA 2.049 64.374 62.300 0.042 0.000 1.015 400 V CB -0.807 31.042 31.823 0.044 0.000 0.642 400 V HN 0.419 nan 8.190 nan 0.000 0.446 401 A N 0.078 122.914 122.820 0.026 0.000 1.917 401 A HA -0.239 4.102 4.320 0.034 0.000 0.219 401 A C 2.424 180.019 177.584 0.018 0.000 1.182 401 A CA 2.491 54.542 52.037 0.023 0.000 0.633 401 A CB -0.905 18.110 19.000 0.024 0.000 0.819 401 A HN 0.632 nan 8.150 nan 0.000 0.448 402 A N -0.641 122.185 122.820 0.010 0.000 1.933 402 A HA -0.037 4.304 4.320 0.034 0.000 0.218 402 A C 2.182 179.752 177.584 -0.023 0.000 1.175 402 A CA 1.534 53.569 52.037 -0.004 0.000 0.628 402 A CB -0.527 18.466 19.000 -0.012 0.000 0.814 402 A HN 0.492 nan 8.150 nan 0.000 0.444 403 L N -0.395 120.814 121.223 -0.023 0.000 2.072 403 L HA -0.123 4.238 4.340 0.034 0.000 0.205 403 L C 2.838 179.732 176.870 0.040 0.000 1.079 403 L CA 1.776 56.577 54.840 -0.065 0.000 0.752 403 L CB -0.503 41.540 42.059 -0.027 0.000 0.906 403 L HN 0.636 nan 8.230 nan 0.000 0.436 404 T N -5.595 109.000 114.554 0.068 0.000 3.081 404 T HA 0.020 4.390 4.350 0.034 0.000 0.255 404 T C 0.736 175.406 174.700 -0.050 0.000 1.113 404 T CA 0.483 62.578 62.100 -0.007 0.000 1.082 404 T CB 0.217 69.013 68.868 -0.120 0.000 0.939 404 T HN 0.274 nan 8.240 nan 0.000 0.506 405 D N 0.718 121.135 120.400 0.028 0.000 3.081 405 D HA -0.102 4.558 4.640 0.034 0.000 0.213 405 D C 0.682 177.043 176.300 0.101 0.000 1.240 405 D CA 2.123 56.168 54.000 0.074 0.000 2.076 405 D CB -1.575 39.294 40.800 0.116 0.000 1.302 405 D HN 0.890 nan 8.370 nan 0.000 0.529 406 G N 0.000 108.902 108.800 0.169 0.000 5.446 406 G HA2 0.000 3.980 3.960 0.034 0.000 0.244 406 G HA3 0.000 3.980 3.960 0.034 0.000 0.244 406 G CA 0.000 nan 45.100 nan 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925