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 1mxc_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGMV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DMGFDANSCA VLSAIGKQSP DATA SEQUENCE DIXXXXXRAD PLEQGAGDQG LMFGYATNET DVLMPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVMEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPMGDCG LTGRKIIVDT DATA SEQUENCE YGGMARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI MVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQMLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.341 177.584 -0.405 0.000 1.274 1 A CA 0.000 51.885 52.037 -0.254 0.000 0.836 1 A CB 0.000 18.846 19.000 -0.257 0.000 0.831 2 K N 0.946 121.233 120.400 -0.189 0.000 2.412 2 K HA 0.031 nan 4.320 nan 0.000 0.281 2 K C -0.765 175.800 176.600 -0.059 0.000 1.027 2 K CA 1.209 57.445 56.287 -0.085 0.000 0.989 2 K CB 0.485 32.980 32.500 -0.007 0.000 0.935 2 K HN 0.278 8.455 8.250 -0.121 0.000 0.475 3 H N 0.930 120.039 119.070 0.065 0.000 3.094 3 H HA 0.196 nan 4.556 nan 0.000 0.335 3 H C -2.417 172.961 175.328 0.082 0.000 1.254 3 H CA -1.545 54.532 56.048 0.048 0.000 1.240 3 H CB 0.685 30.457 29.762 0.018 0.000 1.936 3 H HN 0.525 8.997 8.280 0.321 0.000 0.536 4 L N 1.358 122.695 121.223 0.190 0.000 2.344 4 L HA 0.715 nan 4.340 nan 0.000 0.272 4 L C -1.219 175.694 176.870 0.071 0.000 1.035 4 L CA -0.965 53.957 54.840 0.137 0.000 0.807 4 L CB 2.287 44.392 42.059 0.077 0.000 1.237 4 L HN 0.282 8.604 8.230 0.154 0.000 0.442 5 F N 2.844 122.773 119.950 -0.036 0.000 2.588 5 F HA 0.290 nan 4.527 nan 0.000 0.314 5 F C -2.249 173.553 175.800 0.004 0.000 1.134 5 F CA -0.143 57.787 58.000 -0.117 0.000 0.961 5 F CB 4.145 42.945 39.000 -0.333 0.000 1.239 5 F HN 0.501 8.938 8.300 0.228 0.000 0.448 6 T N 9.504 123.644 114.554 -0.690 0.000 2.918 6 T HA 0.636 nan 4.350 nan 0.000 0.286 6 T C -1.694 172.832 174.700 -0.290 0.000 1.026 6 T CA -1.062 60.859 62.100 -0.299 0.000 1.031 6 T CB 1.941 70.664 68.868 -0.242 0.000 1.046 6 T HN 0.041 7.501 8.240 -1.301 0.000 0.479 7 S N 1.273 116.962 115.700 -0.019 0.000 2.541 7 S HA 0.455 nan 4.470 nan 0.000 0.271 7 S C -2.003 172.612 174.600 0.025 0.000 1.133 7 S CA -0.835 57.376 58.200 0.018 0.000 0.876 7 S CB 3.668 66.941 63.200 0.122 0.000 1.105 7 S HN 0.066 8.414 8.310 0.064 0.000 0.470 8 E N 0.852 121.054 120.200 0.002 0.000 2.243 8 E HA 0.700 nan 4.350 nan 0.000 0.260 8 E C -1.600 175.012 176.600 0.020 0.000 0.985 8 E CA -1.726 54.687 56.400 0.020 0.000 0.858 8 E CB 2.214 31.916 29.700 0.003 0.000 1.210 8 E HN 0.084 8.436 8.360 -0.013 0.000 0.411 9 S N -0.567 115.174 115.700 0.068 0.000 2.651 9 S HA 0.480 nan 4.470 nan 0.000 0.279 9 S C -2.375 172.296 174.600 0.118 0.000 1.148 9 S CA -1.431 56.843 58.200 0.123 0.000 0.837 9 S CB 3.092 66.443 63.200 0.251 0.000 1.138 9 S HN 0.414 8.673 8.310 0.089 0.105 0.478 10 V N -4.919 115.061 119.914 0.110 0.000 3.078 10 V HA 0.877 nan 4.120 nan 0.000 0.311 10 V C -1.967 174.222 176.094 0.158 0.000 1.138 10 V CA -3.402 58.949 62.300 0.084 0.000 1.007 10 V CB 3.704 35.419 31.823 -0.179 0.000 1.045 10 V HN 0.310 8.585 8.190 0.143 0.000 0.432 11 S N 0.155 115.988 115.700 0.221 0.000 2.645 11 S HA 0.333 nan 4.470 nan 0.000 0.266 11 S C 0.546 175.217 174.600 0.117 0.000 1.258 11 S CA -0.999 57.354 58.200 0.255 0.000 0.990 11 S CB 1.611 64.961 63.200 0.250 0.000 0.967 11 S HN 0.167 8.623 8.310 0.244 0.000 0.556 12 E N -0.282 119.951 120.200 0.054 0.000 2.481 12 E HA -0.452 nan 4.350 nan 0.000 0.263 12 E C 0.795 177.467 176.600 0.119 0.000 0.992 12 E CA 0.842 57.264 56.400 0.037 0.000 0.938 12 E CB -0.452 29.288 29.700 0.067 0.000 0.933 12 E HN -0.124 8.337 8.360 0.169 0.000 0.453 13 G N 2.175 111.066 108.800 0.152 0.000 2.234 13 G HA2 -0.502 nan 3.960 nan 0.000 0.260 13 G HA3 -0.502 nan 3.960 nan 0.000 0.260 13 G C -0.308 174.746 174.900 0.257 0.000 0.987 13 G CA 0.295 45.559 45.100 0.275 0.000 0.625 13 G HN 0.444 8.809 8.290 0.124 0.000 0.532 14 H N 4.562 123.707 119.070 0.125 0.000 2.886 14 H HA 0.197 nan 4.556 nan 0.000 0.329 14 H C -1.101 174.243 175.328 0.026 0.000 1.044 14 H CA -0.547 55.558 56.048 0.096 0.000 1.456 14 H CB 0.697 30.507 29.762 0.080 0.000 1.464 14 H HN -0.570 7.790 8.280 0.272 0.084 0.573 15 P HA -0.269 nan 4.420 nan 0.000 0.215 15 P C 1.088 178.361 177.300 -0.046 0.000 1.157 15 P CA 2.951 65.921 63.100 -0.217 0.000 0.874 15 P CB 0.184 31.703 31.700 -0.302 0.000 0.790 16 D N -2.434 118.047 120.400 0.134 0.000 2.123 16 D HA -0.296 nan 4.640 nan 0.000 0.196 16 D C 2.292 178.637 176.300 0.075 0.000 0.992 16 D CA 3.601 57.661 54.000 0.100 0.000 0.833 16 D CB -0.756 40.116 40.800 0.120 0.000 0.954 16 D HN 0.388 8.857 8.370 0.166 0.000 0.455 17 K N -1.153 119.333 120.400 0.144 0.000 2.217 17 K HA -0.108 nan 4.320 nan 0.000 0.202 17 K C 2.120 178.743 176.600 0.038 0.000 1.051 17 K CA 1.909 58.228 56.287 0.053 0.000 0.952 17 K CB -0.235 32.284 32.500 0.033 0.000 0.736 17 K HN -0.223 8.198 8.250 0.322 0.022 0.453 18 I N -0.123 120.472 120.570 0.043 0.000 2.179 18 I HA -0.515 nan 4.170 nan 0.000 0.242 18 I C 1.137 177.265 176.117 0.019 0.000 1.088 18 I CA 3.753 65.071 61.300 0.030 0.000 1.357 18 I CB -0.355 37.636 38.000 -0.014 0.000 1.051 18 I HN -0.691 7.413 8.210 0.053 0.137 0.409 19 A N -0.389 122.429 122.820 -0.004 0.000 1.908 19 A HA -0.455 nan 4.320 nan 0.000 0.218 19 A C 1.847 179.444 177.584 0.022 0.000 1.181 19 A CA 3.651 55.690 52.037 0.003 0.000 0.627 19 A CB -1.184 17.800 19.000 -0.025 0.000 0.818 19 A HN -0.146 7.993 8.150 -0.019 0.000 0.445 20 D N -1.236 119.177 120.400 0.022 0.000 2.087 20 D HA -0.366 nan 4.640 nan 0.000 0.192 20 D C 2.570 178.898 176.300 0.046 0.000 0.993 20 D CA 3.749 57.770 54.000 0.036 0.000 0.828 20 D CB -0.419 40.403 40.800 0.036 0.000 0.968 20 D HN -0.384 7.922 8.370 0.015 0.073 0.448 21 Q N -0.277 119.545 119.800 0.036 0.000 2.045 21 Q HA -0.380 nan 4.340 nan 0.000 0.206 21 Q C 2.841 178.877 176.000 0.061 0.000 0.991 21 Q CA 3.165 58.994 55.803 0.045 0.000 0.851 21 Q CB 0.105 28.866 28.738 0.038 0.000 0.911 21 Q HN -0.126 8.160 8.270 0.026 0.000 0.418 22 I N -0.425 120.183 120.570 0.062 0.000 2.151 22 I HA -0.618 nan 4.170 nan 0.000 0.243 22 I C 1.944 178.099 176.117 0.063 0.000 1.080 22 I CA 3.897 65.238 61.300 0.069 0.000 1.339 22 I CB -0.359 37.684 38.000 0.072 0.000 1.039 22 I HN 0.307 8.552 8.210 0.057 0.000 0.409 23 S N 0.300 116.033 115.700 0.055 0.000 2.351 23 S HA -0.403 nan 4.470 nan 0.000 0.220 23 S C 2.084 176.716 174.600 0.053 0.000 1.035 23 S CA 4.378 62.606 58.200 0.047 0.000 1.031 23 S CB -0.523 62.699 63.200 0.038 0.000 0.928 23 S HN -0.264 8.076 8.310 0.051 0.000 0.433 24 D N 1.241 121.683 120.400 0.069 0.000 2.178 24 D HA -0.191 nan 4.640 nan 0.000 0.201 24 D C 1.983 178.346 176.300 0.106 0.000 0.980 24 D CA 3.037 57.094 54.000 0.095 0.000 0.842 24 D CB -0.297 40.584 40.800 0.135 0.000 0.948 24 D HN -0.103 8.309 8.370 0.070 0.000 0.472 25 A N -0.047 122.827 122.820 0.091 0.000 1.933 25 A HA -0.195 nan 4.320 nan 0.000 0.218 25 A C 2.360 179.993 177.584 0.081 0.000 1.175 25 A CA 3.249 55.340 52.037 0.089 0.000 0.628 25 A CB -0.556 18.492 19.000 0.081 0.000 0.814 25 A HN 0.255 8.356 8.150 0.081 0.098 0.444 26 V N 0.363 120.318 119.914 0.068 0.000 2.358 26 V HA -0.359 nan 4.120 nan 0.000 0.246 26 V C 1.655 177.780 176.094 0.052 0.000 1.047 26 V CA 4.099 66.434 62.300 0.057 0.000 1.035 26 V CB -0.875 30.976 31.823 0.047 0.000 0.658 26 V HN -0.076 8.067 8.190 0.066 0.086 0.452 27 L N -0.218 121.034 121.223 0.049 0.000 1.989 27 L HA -0.454 nan 4.340 nan 0.000 0.211 27 L C 1.366 178.287 176.870 0.085 0.000 1.071 27 L CA 3.556 58.419 54.840 0.039 0.000 0.749 27 L CB -0.768 41.298 42.059 0.011 0.000 0.890 27 L HN -0.051 8.138 8.230 0.052 0.072 0.431 28 D N -0.906 119.573 120.400 0.130 0.000 2.092 28 D HA -0.418 nan 4.640 nan 0.000 0.193 28 D C 2.304 178.668 176.300 0.107 0.000 0.994 28 D CA 3.720 57.811 54.000 0.152 0.000 0.828 28 D CB -0.712 40.180 40.800 0.154 0.000 0.963 28 D HN 0.316 8.767 8.370 0.135 0.000 0.450 29 A N -1.013 121.860 122.820 0.087 0.000 1.948 29 A HA -0.259 nan 4.320 nan 0.000 0.220 29 A C 2.600 180.221 177.584 0.062 0.000 1.177 29 A CA 2.920 55.001 52.037 0.074 0.000 0.636 29 A CB -0.528 18.514 19.000 0.070 0.000 0.815 29 A HN -0.380 7.823 8.150 0.088 0.000 0.449 30 I N -1.580 119.020 120.570 0.049 0.000 2.277 30 I HA -0.425 nan 4.170 nan 0.000 0.243 30 I C 1.644 177.778 176.117 0.029 0.000 1.094 30 I CA 3.747 65.062 61.300 0.025 0.000 1.393 30 I CB 0.206 38.207 38.000 0.001 0.000 1.078 30 I HN -0.308 7.831 8.210 0.052 0.102 0.417 31 L N -0.115 121.135 121.223 0.046 0.000 2.127 31 L HA -0.426 nan 4.340 nan 0.000 0.211 31 L C 1.848 178.754 176.870 0.060 0.000 1.089 31 L CA 3.233 58.105 54.840 0.054 0.000 0.757 31 L CB -0.259 41.863 42.059 0.104 0.000 0.899 31 L HN -0.061 8.203 8.230 0.057 0.000 0.434 32 E N -1.819 118.424 120.200 0.073 0.000 2.150 32 E HA -0.277 nan 4.350 nan 0.000 0.193 32 E C 1.387 178.022 176.600 0.058 0.000 0.985 32 E CA 2.185 58.630 56.400 0.074 0.000 0.814 32 E CB 0.203 29.950 29.700 0.077 0.000 0.752 32 E HN 0.018 8.409 8.360 0.079 0.015 0.466 33 Q N -3.218 116.610 119.800 0.047 0.000 2.165 33 Q HA -0.094 nan 4.340 nan 0.000 0.197 33 Q C 0.068 176.082 176.000 0.023 0.000 0.952 33 Q CA 1.311 57.138 55.803 0.039 0.000 0.848 33 Q CB 1.683 30.445 28.738 0.040 0.000 0.931 33 Q HN -0.598 7.579 8.270 0.046 0.120 0.470 34 D N -2.182 118.225 120.400 0.011 0.000 2.346 34 D HA 0.422 nan 4.640 nan 0.000 0.255 34 D C -1.266 175.031 176.300 -0.005 0.000 1.276 34 D CA -2.911 51.086 54.000 -0.004 0.000 0.941 34 D CB 1.682 42.467 40.800 -0.027 0.000 1.199 34 D HN -0.126 8.147 8.370 0.015 0.105 0.537 35 P HA -0.172 nan 4.420 nan 0.000 0.225 35 P C 0.203 177.488 177.300 -0.024 0.000 1.148 35 P CA 1.288 64.376 63.100 -0.020 0.000 0.779 35 P CB 0.414 32.084 31.700 -0.050 0.000 0.780 36 K N -2.237 118.153 120.400 -0.016 0.000 2.404 36 K HA -0.017 nan 4.320 nan 0.000 0.194 36 K C -0.464 176.126 176.600 -0.016 0.000 1.023 36 K CA -1.994 54.288 56.287 -0.008 0.000 1.094 36 K CB 0.028 32.528 32.500 -0.001 0.000 0.841 36 K HN -0.600 7.799 8.250 -0.015 -0.158 0.523 37 A N 0.318 123.122 122.820 -0.028 0.000 2.587 37 A HA -0.138 nan 4.320 nan 0.000 0.233 37 A C -0.464 177.093 177.584 -0.044 0.000 1.049 37 A CA 1.244 53.257 52.037 -0.040 0.000 0.754 37 A CB 0.587 19.561 19.000 -0.042 0.000 0.977 37 A HN -0.603 7.508 8.150 -0.025 0.024 0.509 38 R N 1.675 122.147 120.500 -0.048 0.000 2.265 38 R HA 0.310 nan 4.340 nan 0.000 0.328 38 R C -1.505 174.759 176.300 -0.060 0.000 0.969 38 R CA -2.091 53.977 56.100 -0.053 0.000 0.832 38 R CB 0.730 31.005 30.300 -0.041 0.000 1.139 38 R HN 0.053 8.293 8.270 -0.050 0.000 0.457 39 V N -0.350 119.521 119.914 -0.071 0.000 2.864 39 V HA 1.011 nan 4.120 nan 0.000 0.314 39 V C -2.261 173.793 176.094 -0.067 0.000 1.073 39 V CA -3.102 59.160 62.300 -0.063 0.000 0.956 39 V CB 4.317 36.108 31.823 -0.053 0.000 1.023 39 V HN -0.505 7.828 8.190 -0.087 -0.195 0.435 40 A N 2.944 125.734 122.820 -0.050 0.000 3.156 40 A HA 0.452 nan 4.320 nan 0.000 0.311 40 A C -2.796 174.772 177.584 -0.027 0.000 1.129 40 A CA -0.762 51.248 52.037 -0.045 0.000 0.809 40 A CB 1.062 20.038 19.000 -0.041 0.000 1.257 40 A HN 0.572 8.697 8.150 -0.042 0.000 0.491 41 C N 3.111 122.398 119.300 -0.021 0.000 2.223 41 C HA 0.526 nan 4.460 nan 0.000 0.324 41 C C -0.557 174.438 174.990 0.008 0.000 1.196 41 C CA -1.910 57.107 59.018 -0.003 0.000 1.628 41 C CB -0.183 27.558 27.740 0.002 0.000 2.229 41 C HN 0.328 8.438 8.230 -0.030 0.102 0.486 42 E N 9.346 129.556 120.200 0.016 0.000 2.191 42 E HA 0.307 nan 4.350 nan 0.000 0.278 42 E C -1.430 175.202 176.600 0.053 0.000 0.972 42 E CA -1.032 55.385 56.400 0.029 0.000 0.804 42 E CB 3.121 32.838 29.700 0.028 0.000 1.110 42 E HN 0.691 9.059 8.360 0.014 0.000 0.394 43 T N 3.570 118.163 114.554 0.066 0.000 2.893 43 T HA 0.679 nan 4.350 nan 0.000 0.291 43 T C -2.271 172.509 174.700 0.134 0.000 1.028 43 T CA -0.695 61.460 62.100 0.091 0.000 0.995 43 T CB 2.581 71.487 68.868 0.062 0.000 1.051 43 T HN 0.345 8.616 8.240 0.052 0.000 0.470 44 Y N 4.631 124.930 120.300 -0.002 0.000 2.354 44 Y HA 0.523 nan 4.550 nan 0.000 0.330 44 Y C -2.727 173.163 175.900 -0.017 0.000 1.011 44 Y CA -1.255 56.837 58.100 -0.012 0.000 1.099 44 Y CB 3.232 41.688 38.460 -0.007 0.000 1.179 44 Y HN 0.613 9.026 8.280 0.222 0.000 0.442 45 V N 2.853 122.753 119.914 -0.022 0.000 2.628 45 V HA 0.863 nan 4.120 nan 0.000 0.306 45 V C -2.309 173.739 176.094 -0.077 0.000 1.045 45 V CA -3.188 59.098 62.300 -0.024 0.000 0.905 45 V CB 1.857 33.558 31.823 -0.203 0.000 0.997 45 V HN 0.936 8.973 8.190 -0.255 0.000 0.436 46 K N 3.693 124.108 120.400 0.025 0.000 2.533 46 K HA 0.575 nan 4.320 nan 0.000 0.284 46 K C 0.155 176.794 176.600 0.065 0.000 1.025 46 K CA -0.878 55.433 56.287 0.040 0.000 0.900 46 K CB 3.819 36.439 32.500 0.200 0.000 1.519 46 K HN 0.503 8.797 8.250 0.073 0.000 0.432 47 T N -2.010 112.587 114.554 0.072 0.000 2.720 47 T HA -0.152 nan 4.350 nan 0.000 0.268 47 T C 0.317 175.178 174.700 0.268 0.000 1.037 47 T CA 3.110 65.287 62.100 0.128 0.000 1.144 47 T CB -0.481 68.432 68.868 0.075 0.000 0.864 47 T HN 0.413 8.684 8.240 0.052 0.000 0.444 48 G N -1.615 107.297 108.800 0.188 0.000 3.088 48 G HA2 0.245 nan 3.960 nan 0.000 0.217 48 G HA3 0.245 nan 3.960 nan 0.000 0.217 48 G C -1.900 173.108 174.900 0.180 0.000 1.159 48 G CA -0.854 44.330 45.100 0.140 0.000 0.760 48 G HN -0.163 8.215 8.290 0.146 0.000 0.550 49 M N -4.130 115.650 119.600 0.300 0.000 2.471 49 M HA 0.791 nan 4.480 nan 0.000 0.284 49 M C -2.484 173.967 176.300 0.251 0.000 1.203 49 M CA -0.319 55.111 55.300 0.216 0.000 0.915 49 M CB 3.913 36.589 32.600 0.126 0.000 1.734 49 M HN -0.237 8.256 8.290 0.411 0.043 0.485 50 V N 0.012 120.050 119.914 0.206 0.000 2.444 50 V HA 0.801 nan 4.120 nan 0.000 0.294 50 V C -2.005 174.166 176.094 0.128 0.000 1.022 50 V CA -0.980 61.427 62.300 0.179 0.000 0.850 50 V CB 1.409 33.344 31.823 0.187 0.000 0.992 50 V HN 0.658 8.949 8.190 0.168 0.000 0.426 51 L N 7.730 129.030 121.223 0.127 0.000 2.307 51 L HA 0.826 nan 4.340 nan 0.000 0.284 51 L C -2.026 174.895 176.870 0.084 0.000 1.023 51 L CA -1.249 53.634 54.840 0.072 0.000 0.810 51 L CB 2.991 45.057 42.059 0.010 0.000 1.231 51 L HN 0.750 9.089 8.230 0.182 0.000 0.423 52 V N 5.132 125.083 119.914 0.061 0.000 2.378 52 V HA 0.730 nan 4.120 nan 0.000 0.288 52 V C -1.479 174.639 176.094 0.040 0.000 1.016 52 V CA -1.867 60.468 62.300 0.058 0.000 0.840 52 V CB 1.374 33.231 31.823 0.057 0.000 0.994 52 V HN 0.865 9.085 8.190 0.050 0.000 0.431 53 G N 5.887 114.707 108.800 0.034 0.000 2.638 53 G HA2 0.786 nan 3.960 nan 0.000 0.302 53 G HA3 0.786 nan 3.960 nan 0.000 0.302 53 G C -2.810 172.099 174.900 0.015 0.000 1.365 53 G CA -1.058 44.054 45.100 0.020 0.000 0.987 53 G HN 0.702 9.017 8.290 0.041 0.000 0.495 54 G N -0.206 108.597 108.800 0.006 0.000 2.646 54 G HA2 0.569 nan 3.960 nan 0.000 0.291 54 G HA3 0.569 nan 3.960 nan 0.000 0.291 54 G C -2.720 172.174 174.900 -0.010 0.000 1.445 54 G CA 0.263 45.362 45.100 -0.002 0.000 0.814 54 G HN -0.083 8.209 8.290 0.004 0.000 0.495 55 E N -0.029 120.161 120.200 -0.017 0.000 2.187 55 E HA 0.848 nan 4.350 nan 0.000 0.268 55 E C -1.916 174.664 176.600 -0.033 0.000 0.896 55 E CA -1.878 54.508 56.400 -0.024 0.000 0.766 55 E CB 3.657 33.342 29.700 -0.024 0.000 1.142 55 E HN -0.039 8.310 8.360 -0.019 0.000 0.408 56 I N 4.560 125.106 120.570 -0.040 0.000 2.478 56 I HA 0.353 nan 4.170 nan 0.000 0.287 56 I C -2.381 173.697 176.117 -0.066 0.000 1.042 56 I CA -0.888 60.380 61.300 -0.053 0.000 1.067 56 I CB 3.634 41.602 38.000 -0.054 0.000 1.233 56 I HN 0.711 8.897 8.210 -0.040 0.000 0.431 57 T N 10.948 125.463 114.554 -0.065 0.000 2.821 57 T HA 0.673 nan 4.350 nan 0.000 0.307 57 T C -2.224 172.427 174.700 -0.083 0.000 1.034 57 T CA -1.672 60.384 62.100 -0.073 0.000 0.953 57 T CB 0.826 69.661 68.868 -0.055 0.000 0.968 57 T HN 0.739 8.944 8.240 -0.059 0.000 0.462 58 T N 8.635 123.119 114.554 -0.117 0.000 2.840 58 T HA 0.587 nan 4.350 nan 0.000 0.317 58 T C -0.365 174.224 174.700 -0.186 0.000 1.401 58 T CA -1.449 60.574 62.100 -0.129 0.000 1.028 58 T CB 2.286 71.077 68.868 -0.128 0.000 1.317 58 T HN 0.547 8.705 8.240 -0.137 0.000 0.495 59 S N 4.740 120.343 115.700 -0.161 0.000 2.414 59 S HA 0.012 nan 4.470 nan 0.000 0.227 59 S C 1.210 175.620 174.600 -0.315 0.000 1.022 59 S CA 1.666 59.749 58.200 -0.196 0.000 0.958 59 S CB 0.266 63.408 63.200 -0.097 0.000 0.797 59 S HN 0.273 8.820 8.310 -0.114 -0.306 0.493 60 A N 2.638 125.317 122.820 -0.236 0.000 2.536 60 A HA -0.149 nan 4.320 nan 0.000 0.234 60 A C -1.981 175.373 177.584 -0.384 0.000 1.076 60 A CA 0.921 52.839 52.037 -0.197 0.000 0.769 60 A CB 0.448 19.399 19.000 -0.082 0.000 1.020 60 A HN -0.299 7.752 8.150 -0.166 0.000 0.508 61 W N 0.261 121.571 121.300 0.017 0.000 2.739 61 W HA 0.216 nan 4.660 nan 0.000 0.331 61 W C -1.072 175.459 176.519 0.020 0.000 1.049 61 W CA -0.428 56.927 57.345 0.016 0.000 1.234 61 W CB 2.240 31.708 29.460 0.015 0.000 1.404 61 W HN -0.480 7.996 8.180 0.137 -0.214 0.477 62 V N 4.813 124.876 119.914 0.247 0.000 3.012 62 V HA 0.100 nan 4.120 nan 0.000 0.307 62 V C -1.807 174.374 176.094 0.144 0.000 1.166 62 V CA -0.997 61.396 62.300 0.154 0.000 0.974 62 V CB 3.607 35.486 31.823 0.094 0.000 1.040 62 V HN -0.190 8.170 8.190 0.283 0.000 0.428 63 D N 5.440 125.905 120.400 0.109 0.000 2.441 63 D HA 0.192 nan 4.640 nan 0.000 0.221 63 D C 0.860 177.207 176.300 0.077 0.000 1.156 63 D CA -1.261 52.793 54.000 0.090 0.000 0.896 63 D CB -0.577 40.265 40.800 0.070 0.000 1.028 63 D HN 0.189 8.618 8.370 0.098 0.000 0.509 64 I N 6.084 126.701 120.570 0.078 0.000 2.208 64 I HA -0.499 nan 4.170 nan 0.000 0.245 64 I C 1.553 177.708 176.117 0.064 0.000 1.097 64 I CA 2.421 63.762 61.300 0.069 0.000 1.363 64 I CB -0.480 37.559 38.000 0.065 0.000 1.051 64 I HN 0.097 8.360 8.210 0.088 0.000 0.413 65 E N -0.066 120.170 120.200 0.059 0.000 2.047 65 E HA -0.366 nan 4.350 nan 0.000 0.191 65 E C 1.827 178.459 176.600 0.053 0.000 0.987 65 E CA 3.353 59.785 56.400 0.053 0.000 0.799 65 E CB -0.534 29.192 29.700 0.043 0.000 0.752 65 E HN -0.283 8.245 8.360 0.060 -0.132 0.449 66 E N -0.266 119.965 120.200 0.052 0.000 2.031 66 E HA -0.299 nan 4.350 nan 0.000 0.193 66 E C 2.395 179.030 176.600 0.058 0.000 0.994 66 E CA 2.752 59.182 56.400 0.050 0.000 0.800 66 E CB 0.024 29.752 29.700 0.047 0.000 0.752 66 E HN -0.562 8.178 8.360 0.052 -0.349 0.447 67 I N -1.014 119.594 120.570 0.063 0.000 2.145 67 I HA -0.624 nan 4.170 nan 0.000 0.244 67 I C 2.179 178.341 176.117 0.075 0.000 1.075 67 I CA 4.248 65.589 61.300 0.068 0.000 1.332 67 I CB -0.291 37.750 38.000 0.069 0.000 1.033 67 I HN 0.219 8.467 8.210 0.063 0.000 0.410 68 T N 1.710 116.311 114.554 0.078 0.000 2.652 68 T HA -0.356 nan 4.350 nan 0.000 0.267 68 T C 2.166 176.928 174.700 0.103 0.000 1.039 68 T CA 4.807 66.963 62.100 0.093 0.000 1.153 68 T CB -0.727 68.197 68.868 0.093 0.000 0.863 68 T HN -0.010 8.273 8.240 0.073 0.000 0.428 69 R N 0.516 121.067 120.500 0.085 0.000 2.092 69 R HA -0.350 nan 4.340 nan 0.000 0.231 69 R C 2.407 178.756 176.300 0.083 0.000 1.119 69 R CA 3.645 59.792 56.100 0.080 0.000 0.970 69 R CB -0.311 30.020 30.300 0.052 0.000 0.864 69 R HN -0.205 8.108 8.270 0.073 0.000 0.440 70 N N -0.451 118.292 118.700 0.073 0.000 2.188 70 N HA -0.157 nan 4.740 nan 0.000 0.184 70 N C 2.191 177.749 175.510 0.081 0.000 1.018 70 N CA 3.264 56.355 53.050 0.068 0.000 0.858 70 N CB -0.344 38.177 38.487 0.058 0.000 0.989 70 N HN 0.162 8.571 8.380 0.069 0.013 0.426 71 T N 4.204 118.812 114.554 0.091 0.000 2.788 71 T HA -0.209 nan 4.350 nan 0.000 0.268 71 T C 2.084 176.861 174.700 0.128 0.000 1.044 71 T CA 4.677 66.836 62.100 0.099 0.000 1.139 71 T CB -0.284 68.642 68.868 0.097 0.000 0.867 71 T HN -0.150 8.143 8.240 0.089 0.000 0.454 72 V N 2.197 122.209 119.914 0.162 0.000 2.515 72 V HA -0.364 nan 4.120 nan 0.000 0.250 72 V C 1.530 177.749 176.094 0.208 0.000 1.058 72 V CA 4.142 66.588 62.300 0.242 0.000 1.064 72 V CB -1.105 30.915 31.823 0.328 0.000 0.675 72 V HN 0.063 8.261 8.190 0.149 0.081 0.461 73 R N -0.708 119.874 120.500 0.136 0.000 2.090 73 R HA -0.325 nan 4.340 nan 0.000 0.228 73 R C 1.763 178.102 176.300 0.066 0.000 1.110 73 R CA 3.316 59.473 56.100 0.095 0.000 0.973 73 R CB 0.052 30.393 30.300 0.068 0.000 0.869 73 R HN -0.084 8.259 8.270 0.122 0.000 0.440 74 E N -2.729 117.509 120.200 0.064 0.000 2.150 74 E HA -0.212 nan 4.350 nan 0.000 0.193 74 E C 2.152 178.772 176.600 0.033 0.000 0.985 74 E CA 2.513 58.940 56.400 0.044 0.000 0.814 74 E CB 0.035 29.765 29.700 0.051 0.000 0.752 74 E HN -0.596 7.809 8.360 0.075 0.000 0.466 75 I N -3.297 117.304 120.570 0.051 0.000 2.286 75 I HA -0.440 nan 4.170 nan 0.000 0.248 75 I C 1.306 177.366 176.117 -0.095 0.000 1.115 75 I CA 2.386 63.697 61.300 0.018 0.000 1.392 75 I CB 0.389 38.448 38.000 0.098 0.000 1.065 75 I HN -0.655 7.604 8.210 0.082 0.000 0.418 76 G N -3.918 104.842 108.800 -0.068 0.000 2.183 76 G HA2 -0.268 nan 3.960 nan 0.000 0.168 76 G HA3 -0.268 nan 3.960 nan 0.000 0.168 76 G C -0.737 174.092 174.900 -0.118 0.000 1.008 76 G CA -0.430 44.595 45.100 -0.124 0.000 0.677 76 G HN -0.649 7.563 8.290 0.029 0.095 0.498 77 Y N 1.274 121.645 120.300 0.118 0.000 2.600 77 Y HA -0.010 nan 4.550 nan 0.000 0.351 77 Y C -1.629 174.343 175.900 0.120 0.000 1.042 77 Y CA 0.422 58.619 58.100 0.162 0.000 1.333 77 Y CB -0.889 37.758 38.460 0.311 0.000 1.172 77 Y HN -0.434 7.967 8.280 0.201 0.000 0.517 78 V N 6.042 126.090 119.914 0.223 0.000 3.070 78 V HA 0.211 nan 4.120 nan 0.000 0.355 78 V C -1.943 174.259 176.094 0.180 0.000 1.400 78 V CA -0.595 61.790 62.300 0.142 0.000 1.170 78 V CB 0.298 32.168 31.823 0.078 0.000 1.169 78 V HN 0.206 8.524 8.190 0.213 0.000 0.554 79 H N -0.463 118.651 119.070 0.073 0.000 3.114 79 H HA 0.236 nan 4.556 nan 0.000 0.325 79 H C -0.241 175.124 175.328 0.062 0.000 1.206 79 H CA -0.550 55.528 56.048 0.049 0.000 1.316 79 H CB 3.152 32.944 29.762 0.049 0.000 1.981 79 H HN -0.761 7.669 8.280 0.250 0.000 0.527 80 S N 5.674 121.250 115.700 -0.206 0.000 2.419 80 S HA -0.317 nan 4.470 nan 0.000 0.235 80 S C 1.605 176.147 174.600 -0.096 0.000 1.019 80 S CA 2.726 60.838 58.200 -0.147 0.000 0.982 80 S CB -0.088 63.010 63.200 -0.170 0.000 0.789 80 S HN 0.707 8.815 8.310 -0.337 0.000 0.490 81 D N 3.275 123.576 120.400 -0.164 0.000 2.182 81 D HA -0.271 nan 4.640 nan 0.000 0.201 81 D C 1.414 177.754 176.300 0.066 0.000 0.986 81 D CA 2.564 56.547 54.000 -0.029 0.000 0.847 81 D CB -0.793 40.022 40.800 0.025 0.000 0.942 81 D HN -0.002 8.098 8.370 -0.434 0.010 0.467 82 M N -3.431 116.248 119.600 0.131 0.000 2.296 82 M HA -0.382 nan 4.480 nan 0.000 0.265 82 M C 1.180 177.603 176.300 0.205 0.000 1.064 82 M CA 3.104 58.527 55.300 0.204 0.000 1.109 82 M CB 0.806 33.602 32.600 0.326 0.000 1.396 82 M HN -0.255 8.089 8.290 0.138 0.029 0.430 83 G N -3.777 105.113 108.800 0.150 0.000 2.617 83 G HA2 -0.246 nan 3.960 nan 0.000 0.197 83 G HA3 -0.246 nan 3.960 nan 0.000 0.197 83 G C -1.148 173.850 174.900 0.164 0.000 1.017 83 G CA -0.448 44.720 45.100 0.113 0.000 0.713 83 G HN -0.011 8.173 8.290 0.115 0.175 0.481 84 F N 2.062 121.987 119.950 -0.042 0.000 2.604 84 F HA 0.147 nan 4.527 nan 0.000 0.316 84 F C -2.657 173.175 175.800 0.054 0.000 1.136 84 F CA -0.306 57.644 58.000 -0.084 0.000 0.989 84 F CB 3.132 41.924 39.000 -0.346 0.000 1.258 84 F HN -0.766 7.701 8.300 0.278 0.000 0.451 85 D N 6.383 126.573 120.400 -0.350 0.000 2.308 85 D HA 0.309 nan 4.640 nan 0.000 0.242 85 D C -0.302 175.808 176.300 -0.316 0.000 1.059 85 D CA -2.381 51.514 54.000 -0.176 0.000 0.830 85 D CB 1.690 42.444 40.800 -0.076 0.000 1.161 85 D HN 0.098 8.139 8.370 -0.549 0.000 0.494 86 A N 6.538 129.304 122.820 -0.089 0.000 1.978 86 A HA -0.282 nan 4.320 nan 0.000 0.220 86 A C 1.488 179.039 177.584 -0.056 0.000 1.170 86 A CA 3.235 55.250 52.037 -0.037 0.000 0.636 86 A CB 0.067 19.112 19.000 0.076 0.000 0.810 86 A HN 0.674 8.751 8.150 0.040 0.097 0.448 87 N N -2.302 116.373 118.700 -0.042 0.000 2.415 87 N HA -0.046 nan 4.740 nan 0.000 0.176 87 N C 0.691 176.173 175.510 -0.046 0.000 1.042 87 N CA 2.332 55.367 53.050 -0.025 0.000 0.902 87 N CB 0.391 38.877 38.487 -0.002 0.000 0.986 87 N HN 0.043 8.715 8.380 -0.033 -0.311 0.447 88 S N -1.592 114.057 115.700 -0.085 0.000 2.540 88 S HA 0.152 nan 4.470 nan 0.000 0.222 88 S C 0.900 175.421 174.600 -0.132 0.000 1.008 88 S CA -0.160 57.989 58.200 -0.086 0.000 0.939 88 S CB 0.951 64.113 63.200 -0.063 0.000 0.865 88 S HN -0.542 7.817 8.310 -0.108 -0.113 0.499 89 C N 1.907 121.067 119.300 -0.233 0.000 2.700 89 C HA 0.261 nan 4.460 nan 0.000 0.397 89 C C -0.520 174.415 174.990 -0.091 0.000 1.301 89 C CA -2.207 56.661 59.018 -0.249 0.000 2.219 89 C CB 0.690 28.104 27.740 -0.544 0.000 2.699 89 C HN -0.208 7.845 8.230 -0.294 0.000 0.669 90 A N 0.486 123.288 122.820 -0.030 0.000 2.363 90 A HA 0.308 nan 4.320 nan 0.000 0.270 90 A C -1.832 175.779 177.584 0.045 0.000 1.121 90 A CA -0.084 51.959 52.037 0.010 0.000 0.800 90 A CB 0.983 19.996 19.000 0.021 0.000 1.052 90 A HN 0.630 8.766 8.150 -0.024 0.000 0.493 91 V N 2.274 122.213 119.914 0.041 0.000 2.444 91 V HA 0.571 nan 4.120 nan 0.000 0.294 91 V C -0.821 175.300 176.094 0.045 0.000 1.022 91 V CA -0.741 61.594 62.300 0.059 0.000 0.850 91 V CB 1.024 32.881 31.823 0.057 0.000 0.992 91 V HN 0.157 8.363 8.190 0.028 0.000 0.426 92 L N 8.918 130.169 121.223 0.046 0.000 2.362 92 L HA 0.476 nan 4.340 nan 0.000 0.271 92 L C -1.381 175.509 176.870 0.033 0.000 1.002 92 L CA -0.827 54.032 54.840 0.031 0.000 0.818 92 L CB 4.349 46.419 42.059 0.018 0.000 1.298 92 L HN 0.895 9.160 8.230 0.058 0.000 0.420 93 S N 3.483 119.200 115.700 0.030 0.000 2.503 93 S HA 0.636 nan 4.470 nan 0.000 0.301 93 S C -1.400 173.212 174.600 0.021 0.000 1.087 93 S CA -0.623 57.595 58.200 0.031 0.000 1.042 93 S CB 1.243 64.467 63.200 0.040 0.000 1.043 93 S HN 0.265 8.591 8.310 0.027 0.000 0.489 94 A N 5.110 127.939 122.820 0.016 0.000 3.355 94 A HA 0.336 nan 4.320 nan 0.000 0.290 94 A C -1.893 175.697 177.584 0.009 0.000 0.973 94 A CA 0.029 52.071 52.037 0.009 0.000 0.933 94 A CB 0.663 19.661 19.000 -0.003 0.000 1.138 94 A HN 0.806 8.967 8.150 0.019 0.000 0.490 95 I N 1.397 121.976 120.570 0.014 0.000 2.330 95 I HA 0.258 nan 4.170 nan 0.000 0.289 95 I C -0.437 175.682 176.117 0.003 0.000 1.001 95 I CA -0.995 60.310 61.300 0.008 0.000 1.193 95 I CB 1.397 39.404 38.000 0.011 0.000 1.345 95 I HN -0.048 8.175 8.210 0.021 0.000 0.461 96 G N 6.832 115.629 108.800 -0.005 0.000 2.364 96 G HA2 0.088 nan 3.960 nan 0.000 0.267 96 G HA3 0.088 nan 3.960 nan 0.000 0.267 96 G C -2.344 172.541 174.900 -0.024 0.000 1.233 96 G CA -0.569 44.526 45.100 -0.010 0.000 0.885 96 G HN 0.262 8.547 8.290 -0.008 0.000 0.490 97 K N 3.324 123.706 120.400 -0.031 0.000 2.159 97 K HA 0.500 nan 4.320 nan 0.000 0.266 97 K C -0.954 175.611 176.600 -0.059 0.000 0.975 97 K CA -0.837 55.411 56.287 -0.065 0.000 0.865 97 K CB 1.389 33.825 32.500 -0.107 0.000 1.087 97 K HN 0.148 8.388 8.250 -0.016 0.000 0.446 98 Q N 5.243 125.000 119.800 -0.071 0.000 2.377 98 Q HA 0.402 nan 4.340 nan 0.000 0.271 98 Q C -1.732 174.215 176.000 -0.089 0.000 1.077 98 Q CA -1.245 54.521 55.803 -0.062 0.000 0.820 98 Q CB 3.659 32.369 28.738 -0.046 0.000 1.347 98 Q HN 0.500 8.723 8.270 -0.079 0.000 0.444 99 S N 2.756 118.407 115.700 -0.082 0.000 2.549 99 S HA 0.482 nan 4.470 nan 0.000 0.297 99 S C -2.047 172.518 174.600 -0.059 0.000 1.115 99 S CA -2.154 55.991 58.200 -0.092 0.000 1.059 99 S CB 0.435 63.575 63.200 -0.099 0.000 1.046 99 S HN 0.026 8.300 8.310 -0.060 0.000 0.506 100 P HA 0.102 nan 4.420 nan 0.000 0.270 100 P C -1.897 175.386 177.300 -0.029 0.000 1.223 100 P CA -0.130 62.947 63.100 -0.039 0.000 0.785 100 P CB 0.350 32.028 31.700 -0.038 0.000 0.923 101 D N -0.222 120.163 120.400 -0.025 0.000 2.348 101 D HA 0.433 nan 4.640 nan 0.000 0.253 101 D C 0.557 176.846 176.300 -0.017 0.000 1.161 101 D CA 0.747 54.736 54.000 -0.019 0.000 0.876 101 D CB 0.068 40.856 40.800 -0.019 0.000 1.160 101 D HN 0.272 8.627 8.370 -0.026 0.000 0.459 109 A N 1.200 123.999 122.820 -0.033 0.000 1.872 109 A HA -0.026 nan 4.320 nan 0.000 0.214 109 A C -0.141 177.424 177.584 -0.031 0.000 1.187 109 A CA 1.057 53.077 52.037 -0.029 0.000 0.614 109 A CB 0.329 19.317 19.000 -0.020 0.000 0.826 109 A HN 0.441 8.575 8.150 -0.027 0.000 0.442 110 D N -1.564 118.819 120.400 -0.028 0.000 2.280 110 D HA 0.307 nan 4.640 nan 0.000 0.243 110 D C -1.224 175.049 176.300 -0.046 0.000 1.129 110 D CA -2.822 51.163 54.000 -0.025 0.000 0.848 110 D CB 0.969 41.763 40.800 -0.009 0.000 1.107 110 D HN -0.347 8.009 8.370 -0.024 0.000 0.471 111 P HA -0.168 nan 4.420 nan 0.000 0.216 111 P C 0.811 178.058 177.300 -0.088 0.000 1.150 111 P CA 1.785 64.813 63.100 -0.119 0.000 0.843 111 P CB 0.293 31.939 31.700 -0.089 0.000 0.787 112 L N -5.964 115.262 121.223 0.005 0.000 2.261 112 L HA -0.247 nan 4.340 nan 0.000 0.216 112 L C 1.336 178.247 176.870 0.067 0.000 1.114 112 L CA 2.052 56.935 54.840 0.073 0.000 0.777 112 L CB -0.888 41.211 42.059 0.067 0.000 0.910 112 L HN -0.677 7.723 8.230 0.004 -0.167 0.440 113 E N -4.067 116.144 120.200 0.018 0.000 2.489 113 E HA -0.135 nan 4.350 nan 0.000 0.193 113 E C -0.005 176.602 176.600 0.012 0.000 1.057 113 E CA -0.539 55.875 56.400 0.023 0.000 0.866 113 E CB -0.120 29.584 29.700 0.006 0.000 0.916 113 E HN -0.647 7.558 8.360 -0.008 0.151 0.500 114 Q N 0.193 119.970 119.800 -0.037 0.000 2.274 114 Q HA -0.183 nan 4.340 nan 0.000 0.280 114 Q C 0.078 176.126 176.000 0.079 0.000 1.047 114 Q CA 0.290 56.048 55.803 -0.074 0.000 0.907 114 Q CB 0.499 29.010 28.738 -0.379 0.000 1.171 114 Q HN -0.426 7.635 8.270 -0.062 0.172 0.381 115 G N 0.122 108.954 108.800 0.053 0.000 2.636 115 G HA2 0.083 nan 3.960 nan 0.000 0.246 115 G HA3 0.083 nan 3.960 nan 0.000 0.246 115 G C -1.534 173.421 174.900 0.091 0.000 1.216 115 G CA -0.920 44.226 45.100 0.077 0.000 0.854 115 G HN 0.191 8.489 8.290 0.013 0.000 0.572 116 A N 0.240 123.097 122.820 0.062 0.000 2.450 116 A HA 0.107 nan 4.320 nan 0.000 0.255 116 A C -0.306 177.276 177.584 -0.003 0.000 1.096 116 A CA 0.190 52.218 52.037 -0.014 0.000 0.778 116 A CB 0.783 19.768 19.000 -0.025 0.000 1.031 116 A HN 0.123 8.325 8.150 0.087 0.000 0.494 117 G N 1.330 110.113 108.800 -0.029 0.000 2.393 117 G HA2 0.074 nan 3.960 nan 0.000 0.311 117 G HA3 0.074 nan 3.960 nan 0.000 0.311 117 G C -1.882 172.991 174.900 -0.045 0.000 1.067 117 G CA -0.699 44.387 45.100 -0.023 0.000 1.000 117 G HN 0.475 8.729 8.290 -0.059 0.000 0.422 118 D N 1.360 121.748 120.400 -0.020 0.000 10.730 118 D HA -0.391 nan 4.640 nan 0.000 0.336 118 D C -1.224 175.082 176.300 0.011 0.000 3.136 118 D CA 0.578 54.572 54.000 -0.010 0.000 2.711 118 D CB 1.110 41.898 40.800 -0.019 0.000 1.218 118 D HN -0.199 8.167 8.370 -0.007 0.000 0.943 119 Q N 2.907 122.726 119.800 0.031 0.000 2.500 119 Q HA 0.005 nan 4.340 nan 0.000 0.215 119 Q C -0.471 175.571 176.000 0.070 0.000 1.062 119 Q CA 0.588 56.427 55.803 0.060 0.000 0.996 119 Q CB 1.083 29.843 28.738 0.036 0.000 1.239 119 Q HN 0.299 8.580 8.270 0.019 0.000 0.578 120 G N -0.866 107.987 108.800 0.088 0.000 2.359 120 G HA2 0.069 nan 3.960 nan 0.000 0.293 120 G HA3 0.069 nan 3.960 nan 0.000 0.293 120 G C -3.153 171.786 174.900 0.065 0.000 1.300 120 G CA -0.327 44.817 45.100 0.073 0.000 0.888 120 G HN -0.139 8.204 8.290 0.088 0.000 0.541 121 L N -4.271 116.977 121.223 0.041 0.000 2.409 121 L HA 1.021 nan 4.340 nan 0.000 0.262 121 L C -1.991 174.877 176.870 -0.005 0.000 0.992 121 L CA -0.833 53.986 54.840 -0.033 0.000 0.817 121 L CB 3.346 45.346 42.059 -0.097 0.000 1.350 121 L HN -0.013 8.251 8.230 0.056 0.000 0.411 122 M N -2.024 117.531 119.600 -0.075 0.000 2.550 122 M HA 0.450 nan 4.480 nan 0.000 0.292 122 M C -1.745 174.508 176.300 -0.077 0.000 1.221 122 M CA -0.889 54.420 55.300 0.016 0.000 0.873 122 M CB 4.444 37.097 32.600 0.090 0.000 1.727 122 M HN 0.510 8.692 8.290 -0.179 0.000 0.459 123 F N 1.010 120.997 119.950 0.061 0.000 2.576 123 F HA 0.807 nan 4.527 nan 0.000 0.313 123 F C -0.509 175.404 175.800 0.187 0.000 1.078 123 F CA -0.864 57.197 58.000 0.102 0.000 0.921 123 F CB 4.310 43.379 39.000 0.114 0.000 1.232 123 F HN 0.242 8.711 8.300 0.283 0.000 0.459 124 G N 0.380 109.426 108.800 0.410 0.000 2.659 124 G HA2 0.371 nan 3.960 nan 0.000 0.296 124 G HA3 0.371 nan 3.960 nan 0.000 0.296 124 G C -3.443 171.601 174.900 0.241 0.000 1.369 124 G CA -0.774 44.530 45.100 0.340 0.000 0.937 124 G HN 0.294 8.822 8.290 0.396 0.000 0.485 125 Y N 1.280 121.477 120.300 -0.172 0.000 2.571 125 Y HA 0.773 nan 4.550 nan 0.000 0.341 125 Y C -2.905 172.800 175.900 -0.325 0.000 1.076 125 Y CA -1.123 56.751 58.100 -0.378 0.000 1.029 125 Y CB 3.963 41.962 38.460 -0.769 0.000 1.308 125 Y HN -0.057 8.310 8.280 0.144 0.000 0.461 126 A N 1.839 124.280 122.820 -0.631 0.000 2.609 126 A HA 0.729 nan 4.320 nan 0.000 0.291 126 A C -2.788 174.401 177.584 -0.659 0.000 1.096 126 A CA -0.676 51.101 52.037 -0.433 0.000 0.684 126 A CB 4.103 22.967 19.000 -0.227 0.000 1.282 126 A HN 0.630 8.196 8.150 -0.974 0.000 0.412 127 T N -3.906 110.457 114.554 -0.318 0.000 2.932 127 T HA 0.511 nan 4.350 nan 0.000 0.318 127 T C 0.301 174.947 174.700 -0.091 0.000 1.265 127 T CA -0.904 61.061 62.100 -0.225 0.000 1.036 127 T CB 2.744 71.546 68.868 -0.109 0.000 1.209 127 T HN -0.214 7.926 8.240 -0.166 0.000 0.484 128 N N 2.277 120.938 118.700 -0.064 0.000 2.571 128 N HA -0.264 nan 4.740 nan 0.000 0.189 128 N C 0.805 176.320 175.510 0.008 0.000 1.154 128 N CA 1.539 54.575 53.050 -0.022 0.000 0.907 128 N CB -0.532 37.944 38.487 -0.018 0.000 0.977 128 N HN 0.625 8.958 8.380 -0.078 0.000 0.449 129 E N -2.016 118.191 120.200 0.012 0.000 2.478 129 E HA -0.110 nan 4.350 nan 0.000 0.198 129 E C -0.590 176.056 176.600 0.076 0.000 1.046 129 E CA 0.847 57.266 56.400 0.032 0.000 0.870 129 E CB -0.092 29.609 29.700 0.001 0.000 0.818 129 E HN 0.109 8.403 8.360 -0.004 0.064 0.527 130 T N -5.840 108.764 114.554 0.082 0.000 2.907 130 T HA 0.213 nan 4.350 nan 0.000 0.290 130 T C 0.858 175.612 174.700 0.089 0.000 1.066 130 T CA -2.269 59.904 62.100 0.122 0.000 1.012 130 T CB 3.212 72.154 68.868 0.124 0.000 1.184 130 T HN -0.860 7.415 8.240 0.059 0.000 0.522 131 D N 1.384 121.842 120.400 0.096 0.000 2.149 131 D HA -0.375 nan 4.640 nan 0.000 0.194 131 D C 0.503 176.834 176.300 0.052 0.000 1.001 131 D CA 2.634 56.673 54.000 0.066 0.000 0.849 131 D CB -0.847 39.993 40.800 0.067 0.000 0.939 131 D HN 0.612 9.060 8.370 0.130 0.000 0.449 132 V N -8.140 111.810 119.914 0.061 0.000 3.577 132 V HA 0.268 nan 4.120 nan 0.000 0.294 132 V C -0.134 176.004 176.094 0.074 0.000 1.317 132 V CA -1.484 60.855 62.300 0.064 0.000 1.169 132 V CB -1.177 30.692 31.823 0.077 0.000 1.011 132 V HN -0.461 7.761 8.190 0.071 0.010 0.426 133 L N -3.202 118.056 121.223 0.057 0.000 3.865 133 L HA -0.444 nan 4.340 nan 0.000 0.408 133 L C -0.957 175.955 176.870 0.069 0.000 1.209 133 L CA 1.202 56.064 54.840 0.036 0.000 0.940 133 L CB -2.836 39.228 42.059 0.008 0.000 1.971 133 L HN 0.031 8.101 8.230 0.053 0.192 0.899 134 M N -1.403 118.264 119.600 0.111 0.000 2.662 134 M HA 0.491 nan 4.480 nan 0.000 0.310 134 M C -2.025 174.359 176.300 0.140 0.000 1.204 134 M CA -3.382 52.028 55.300 0.183 0.000 0.891 134 M CB 1.373 34.111 32.600 0.230 0.000 1.732 134 M HN -0.150 8.184 8.290 0.095 0.014 0.467 135 P HA -0.001 nan 4.420 nan 0.000 0.268 135 P C -0.748 176.555 177.300 0.005 0.000 1.205 135 P CA 0.177 63.318 63.100 0.067 0.000 0.771 135 P CB 0.223 31.940 31.700 0.029 0.000 0.858 136 A N 5.148 127.901 122.820 -0.111 0.000 1.883 136 A HA -0.259 nan 4.320 nan 0.000 0.217 136 A C -0.584 176.862 177.584 -0.231 0.000 1.186 136 A CA 5.095 57.005 52.037 -0.212 0.000 0.624 136 A CB -2.611 15.992 19.000 -0.662 0.000 0.822 136 A HN 0.774 9.240 8.150 -0.116 -0.386 0.444 137 P HA -0.303 nan 4.420 nan 0.000 0.211 137 P C 1.055 178.434 177.300 0.132 0.000 1.181 137 P CA 3.305 66.434 63.100 0.048 0.000 0.929 137 P CB -0.493 31.308 31.700 0.168 0.000 0.789 138 I N -3.617 116.987 120.570 0.057 0.000 2.335 138 I HA -0.396 nan 4.170 nan 0.000 0.251 138 I C 1.450 177.506 176.117 -0.102 0.000 1.129 138 I CA 2.537 63.798 61.300 -0.066 0.000 1.402 138 I CB -0.338 37.641 38.000 -0.035 0.000 1.069 138 I HN 0.097 8.348 8.210 0.069 0.000 0.424 139 T N 3.375 117.927 114.554 -0.004 0.000 2.708 139 T HA -0.346 nan 4.350 nan 0.000 0.266 139 T C 2.219 176.810 174.700 -0.181 0.000 1.037 139 T CA 5.557 67.622 62.100 -0.058 0.000 1.146 139 T CB -0.536 68.251 68.868 -0.135 0.000 0.865 139 T HN -0.538 7.702 8.240 0.018 0.011 0.435 140 Y N 0.890 121.333 120.300 0.239 0.000 2.220 140 Y HA -0.307 nan 4.550 nan 0.000 0.291 140 Y C 1.423 177.465 175.900 0.236 0.000 1.129 140 Y CA 3.017 61.286 58.100 0.283 0.000 1.161 140 Y CB -0.693 38.015 38.460 0.414 0.000 0.997 140 Y HN -0.304 8.018 8.280 0.069 0.000 0.522 141 A N -0.384 122.600 122.820 0.274 0.000 1.873 141 A HA -0.477 nan 4.320 nan 0.000 0.218 141 A C 2.235 179.949 177.584 0.216 0.000 1.193 141 A CA 3.444 55.601 52.037 0.201 0.000 0.629 141 A CB -1.161 17.897 19.000 0.096 0.000 0.826 141 A HN 0.506 8.826 8.150 0.284 0.000 0.447 142 H N -1.554 117.617 119.070 0.169 0.000 2.319 142 H HA -0.367 nan 4.556 nan 0.000 0.299 142 H C 2.687 178.094 175.328 0.131 0.000 1.092 142 H CA 3.206 59.364 56.048 0.183 0.000 1.302 142 H CB -0.019 29.853 29.762 0.184 0.000 1.373 142 H HN -0.125 8.190 8.280 0.057 0.000 0.497 143 R N -0.727 119.899 120.500 0.210 0.000 2.127 143 R HA -0.376 nan 4.340 nan 0.000 0.238 143 R C 2.568 178.942 176.300 0.123 0.000 1.134 143 R CA 3.303 59.471 56.100 0.114 0.000 0.975 143 R CB -0.414 29.931 30.300 0.076 0.000 0.865 143 R HN -0.314 8.000 8.270 0.190 0.069 0.447 144 L N -1.161 120.172 121.223 0.183 0.000 1.994 144 L HA -0.231 nan 4.340 nan 0.000 0.208 144 L C 2.268 179.210 176.870 0.119 0.000 1.071 144 L CA 3.116 58.053 54.840 0.163 0.000 0.745 144 L CB -1.189 40.990 42.059 0.201 0.000 0.892 144 L HN 0.236 8.590 8.230 0.226 0.011 0.431 145 V N -4.192 115.818 119.914 0.159 0.000 2.515 145 V HA -0.451 nan 4.120 nan 0.000 0.250 145 V C 2.048 178.157 176.094 0.025 0.000 1.058 145 V CA 3.623 66.025 62.300 0.170 0.000 1.064 145 V CB -1.309 30.697 31.823 0.306 0.000 0.675 145 V HN -0.663 7.651 8.190 0.206 0.000 0.461 146 Q N 1.355 121.042 119.800 -0.189 0.000 2.079 146 Q HA -0.369 nan 4.340 nan 0.000 0.200 146 Q C 2.005 177.827 176.000 -0.298 0.000 0.974 146 Q CA 3.549 58.976 55.803 -0.625 0.000 0.840 146 Q CB -0.058 28.276 28.738 -0.672 0.000 0.898 146 Q HN 0.266 8.496 8.270 -0.046 0.012 0.430 147 R N -0.106 120.315 120.500 -0.132 0.000 2.096 147 R HA -0.344 nan 4.340 nan 0.000 0.235 147 R C 2.013 178.274 176.300 -0.066 0.000 1.127 147 R CA 2.715 58.771 56.100 -0.072 0.000 0.968 147 R CB -0.738 29.557 30.300 -0.008 0.000 0.861 147 R HN -0.361 7.858 8.270 -0.085 0.000 0.440 148 Q N -0.657 119.121 119.800 -0.038 0.000 2.030 148 Q HA -0.318 nan 4.340 nan 0.000 0.204 148 Q C 2.105 178.067 176.000 -0.065 0.000 0.986 148 Q CA 3.288 59.070 55.803 -0.035 0.000 0.843 148 Q CB -0.072 28.676 28.738 0.017 0.000 0.904 148 Q HN 0.030 8.217 8.270 -0.014 0.075 0.420 149 A N -1.057 121.730 122.820 -0.055 0.000 1.917 149 A HA -0.375 nan 4.320 nan 0.000 0.219 149 A C 1.991 179.527 177.584 -0.079 0.000 1.182 149 A CA 3.185 55.194 52.037 -0.046 0.000 0.633 149 A CB -1.154 17.843 19.000 -0.005 0.000 0.819 149 A HN -0.043 8.073 8.150 -0.058 0.000 0.448 150 E N -1.483 118.654 120.200 -0.104 0.000 2.023 150 E HA -0.344 nan 4.350 nan 0.000 0.196 150 E C 2.134 178.681 176.600 -0.089 0.000 1.003 150 E CA 3.375 59.719 56.400 -0.092 0.000 0.809 150 E CB 0.352 29.994 29.700 -0.097 0.000 0.755 150 E HN -0.311 7.902 8.360 -0.130 0.069 0.449 151 V N -4.685 115.170 119.914 -0.098 0.000 2.759 151 V HA -0.249 nan 4.120 nan 0.000 0.256 151 V C 1.753 177.753 176.094 -0.157 0.000 1.080 151 V CA 2.978 65.208 62.300 -0.116 0.000 1.101 151 V CB -1.351 30.402 31.823 -0.116 0.000 0.698 151 V HN -0.024 8.109 8.190 -0.094 0.000 0.477 152 R N 1.216 121.622 120.500 -0.157 0.000 2.061 152 R HA -0.297 nan 4.340 nan 0.000 0.230 152 R C 2.536 178.760 176.300 -0.128 0.000 1.140 152 R CA 3.832 59.828 56.100 -0.173 0.000 0.940 152 R CB -0.129 30.084 30.300 -0.144 0.000 0.839 152 R HN 0.093 8.257 8.270 -0.133 0.026 0.429 153 K N -1.380 118.963 120.400 -0.095 0.000 2.288 153 K HA -0.191 nan 4.320 nan 0.000 0.201 153 K C 1.510 178.072 176.600 -0.064 0.000 1.048 153 K CA 2.463 58.708 56.287 -0.071 0.000 0.956 153 K CB -0.019 32.451 32.500 -0.050 0.000 0.746 153 K HN 0.126 8.131 8.250 -0.092 0.189 0.461 154 N N -2.953 115.705 118.700 -0.070 0.000 2.314 154 N HA -0.016 nan 4.740 nan 0.000 0.200 154 N C 0.716 176.192 175.510 -0.057 0.000 1.135 154 N CA -0.766 52.249 53.050 -0.057 0.000 0.835 154 N CB -0.739 37.715 38.487 -0.054 0.000 0.989 154 N HN -0.320 7.979 8.380 -0.083 0.031 0.478 155 G N -0.989 107.769 108.800 -0.070 0.000 2.267 155 G HA2 -0.379 nan 3.960 nan 0.000 0.257 155 G HA3 -0.379 nan 3.960 nan 0.000 0.257 155 G C 0.843 175.703 174.900 -0.068 0.000 0.998 155 G CA 0.990 46.053 45.100 -0.061 0.000 0.620 155 G HN -0.464 7.708 8.290 -0.084 0.067 0.529 156 T N 2.945 117.453 114.554 -0.077 0.000 2.652 156 T HA -0.269 nan 4.350 nan 0.000 0.267 156 T C 0.585 175.223 174.700 -0.103 0.000 1.039 156 T CA 3.476 65.535 62.100 -0.067 0.000 1.153 156 T CB 0.266 69.096 68.868 -0.065 0.000 0.863 156 T HN -0.443 7.927 8.240 -0.078 -0.177 0.428 157 L N -0.472 120.617 121.223 -0.223 0.000 2.999 157 L HA 0.622 nan 4.340 nan 0.000 0.263 157 L C -1.919 174.512 176.870 -0.732 0.000 1.320 157 L CA -2.997 51.560 54.840 -0.472 0.000 0.913 157 L CB 1.098 42.858 42.059 -0.498 0.000 1.296 157 L HN -0.295 7.807 8.230 -0.212 0.000 0.546 158 P HA -0.020 nan 4.420 nan 0.000 0.247 158 P C -0.627 176.572 177.300 -0.168 0.000 1.225 158 P CA 1.081 64.036 63.100 -0.242 0.000 0.768 158 P CB -0.444 31.203 31.700 -0.087 0.000 1.020 159 W N -4.915 116.394 121.300 0.016 0.000 2.905 159 W HA 0.045 nan 4.660 nan 0.000 0.251 159 W C -0.973 175.575 176.519 0.047 0.000 1.305 159 W CA -2.647 54.719 57.345 0.035 0.000 1.465 159 W CB -0.647 28.838 29.460 0.042 0.000 1.122 159 W HN -0.661 6.734 8.180 -1.171 0.081 0.659 160 L N 1.105 122.133 121.223 -0.324 0.000 2.514 160 L HA -0.279 nan 4.340 nan 0.000 0.280 160 L C -0.396 176.415 176.870 -0.097 0.000 1.223 160 L CA 0.992 55.711 54.840 -0.202 0.000 0.864 160 L CB -0.374 41.452 42.059 -0.388 0.000 1.118 160 L HN -0.448 7.275 8.230 -0.775 0.041 0.494 161 R N 3.321 123.772 120.500 -0.082 0.000 2.893 161 R HA 0.369 nan 4.340 nan 0.000 0.245 161 R C -0.998 175.192 176.300 -0.183 0.000 1.192 161 R CA -2.628 53.400 56.100 -0.121 0.000 1.077 161 R CB 0.024 30.275 30.300 -0.082 0.000 1.253 161 R HN 0.189 8.323 8.270 -0.081 0.087 0.505 162 P HA -0.235 nan 4.420 nan 0.000 0.215 162 P C -0.728 176.523 177.300 -0.080 0.000 1.153 162 P CA 1.834 64.784 63.100 -0.250 0.000 0.853 162 P CB 0.390 31.711 31.700 -0.631 0.000 0.788 163 D N -1.705 118.665 120.400 -0.049 0.000 2.382 163 D HA 0.105 nan 4.640 nan 0.000 0.245 163 D C -2.081 174.210 176.300 -0.015 0.000 1.120 163 D CA 0.822 54.849 54.000 0.044 0.000 0.890 163 D CB 1.592 42.448 40.800 0.093 0.000 1.201 163 D HN -0.733 7.821 8.370 -0.086 -0.235 0.433 164 A N 2.013 124.954 122.820 0.203 0.000 2.585 164 A HA 0.409 nan 4.320 nan 0.000 0.299 164 A C -2.608 175.155 177.584 0.299 0.000 1.047 164 A CA 0.173 52.355 52.037 0.242 0.000 0.723 164 A CB 3.097 22.187 19.000 0.149 0.000 1.275 164 A HN -0.271 8.054 8.150 0.292 0.000 0.408 165 K N 0.723 121.300 120.400 0.295 0.000 2.422 165 K HA 0.853 nan 4.320 nan 0.000 0.251 165 K C -1.599 175.120 176.600 0.199 0.000 0.933 165 K CA -1.638 54.787 56.287 0.231 0.000 0.798 165 K CB 4.119 36.748 32.500 0.216 0.000 1.238 165 K HN 0.238 8.676 8.250 0.314 0.000 0.428 166 S N 1.047 116.850 115.700 0.171 0.000 2.634 166 S HA 0.848 nan 4.470 nan 0.000 0.296 166 S C -1.817 172.864 174.600 0.136 0.000 1.104 166 S CA -2.016 56.285 58.200 0.168 0.000 0.920 166 S CB 3.433 66.745 63.200 0.186 0.000 1.111 166 S HN 0.797 9.201 8.310 0.157 0.000 0.493 167 Q N -0.452 119.430 119.800 0.137 0.000 2.378 167 Q HA 0.544 nan 4.340 nan 0.000 0.262 167 Q C -3.416 172.661 176.000 0.128 0.000 0.978 167 Q CA 0.333 56.201 55.803 0.109 0.000 0.918 167 Q CB 4.645 33.425 28.738 0.071 0.000 1.415 167 Q HN -0.035 8.328 8.270 0.155 0.000 0.409 168 V N 5.366 125.371 119.914 0.151 0.000 2.709 168 V HA 0.790 nan 4.120 nan 0.000 0.308 168 V C -3.013 173.195 176.094 0.189 0.000 1.062 168 V CA -2.185 60.212 62.300 0.162 0.000 0.901 168 V CB 3.996 35.967 31.823 0.246 0.000 1.003 168 V HN 0.135 8.417 8.190 0.153 0.000 0.425 169 T N 8.924 123.541 114.554 0.105 0.000 2.779 169 T HA 0.717 nan 4.350 nan 0.000 0.280 169 T C -1.693 173.080 174.700 0.122 0.000 0.987 169 T CA -2.372 59.804 62.100 0.126 0.000 0.966 169 T CB 1.159 70.051 68.868 0.040 0.000 0.933 169 T HN 0.445 8.697 8.240 0.021 0.000 0.442 170 F N 7.221 127.223 119.950 0.085 0.000 2.450 170 F HA 0.581 nan 4.527 nan 0.000 0.332 170 F C -1.954 173.944 175.800 0.163 0.000 1.093 170 F CA -0.946 57.101 58.000 0.079 0.000 1.003 170 F CB 3.684 42.783 39.000 0.165 0.000 1.151 170 F HN 0.792 9.368 8.300 0.461 0.000 0.474 171 Q N 2.412 122.354 119.800 0.236 0.000 2.290 171 Q HA 0.520 nan 4.340 nan 0.000 0.259 171 Q C -1.520 174.662 176.000 0.305 0.000 0.941 171 Q CA -1.327 54.633 55.803 0.261 0.000 0.912 171 Q CB 2.884 31.687 28.738 0.108 0.000 1.244 171 Q HN 0.744 9.038 8.270 0.040 0.000 0.441 172 Y N 5.718 126.125 120.300 0.179 0.000 2.446 172 Y HA 0.626 nan 4.550 nan 0.000 0.338 172 Y C -1.749 174.241 175.900 0.150 0.000 1.055 172 Y CA -2.244 55.959 58.100 0.170 0.000 1.101 172 Y CB 2.631 41.231 38.460 0.233 0.000 1.221 172 Y HN 0.709 9.386 8.280 0.660 0.000 0.460 173 D N -0.329 120.181 120.400 0.183 0.000 2.575 173 D HA 0.179 nan 4.640 nan 0.000 0.236 173 D C -1.848 174.487 176.300 0.059 0.000 1.075 173 D CA -2.584 51.441 54.000 0.041 0.000 0.860 173 D CB 3.840 44.646 40.800 0.010 0.000 1.475 173 D HN 0.336 8.786 8.370 0.133 0.000 0.474 174 D N 3.666 124.070 120.400 0.007 0.000 2.412 174 D HA -0.223 nan 4.640 nan 0.000 0.257 174 D C 0.873 177.245 176.300 0.120 0.000 1.217 174 D CA 2.337 56.374 54.000 0.063 0.000 0.897 174 D CB 0.334 41.135 40.800 0.002 0.000 1.132 174 D HN 0.287 8.647 8.370 -0.017 -0.000 0.493 175 G N 4.481 113.426 108.800 0.241 0.000 2.302 175 G HA2 -0.541 nan 3.960 nan 0.000 0.263 175 G HA3 -0.541 nan 3.960 nan 0.000 0.263 175 G C -0.519 174.453 174.900 0.119 0.000 0.995 175 G CA 0.463 45.695 45.100 0.219 0.000 0.622 175 G HN 0.543 9.048 8.290 0.357 0.000 0.538 176 K N 2.737 123.173 120.400 0.060 0.000 2.312 176 K HA 0.204 nan 4.320 nan 0.000 0.287 176 K C -0.300 176.179 176.600 -0.201 0.000 1.062 176 K CA -1.606 54.657 56.287 -0.040 0.000 0.934 176 K CB 0.206 32.705 32.500 -0.002 0.000 1.027 176 K HN -0.059 8.058 8.250 0.088 0.186 0.478 177 I N 2.043 122.335 120.570 -0.463 0.000 2.671 177 I HA -0.100 nan 4.170 nan 0.000 0.285 177 I C 0.230 176.148 176.117 -0.332 0.000 1.148 177 I CA 0.169 61.053 61.300 -0.693 0.000 1.386 177 I CB -1.347 36.160 38.000 -0.822 0.000 1.406 177 I HN 0.150 8.132 8.210 -0.380 0.000 0.540 178 V N 2.610 122.386 119.914 -0.230 0.000 2.599 178 V HA 0.352 nan 4.120 nan 0.000 0.245 178 V C -0.169 175.823 176.094 -0.169 0.000 1.046 178 V CA 0.141 62.379 62.300 -0.104 0.000 1.065 178 V CB 0.719 32.529 31.823 -0.022 0.000 0.703 178 V HN 0.681 8.650 8.190 -0.201 0.100 0.464 179 G N -1.042 107.554 108.800 -0.341 0.000 2.317 179 G HA2 0.107 nan 3.960 nan 0.000 0.293 179 G HA3 0.107 nan 3.960 nan 0.000 0.293 179 G C -3.355 171.234 174.900 -0.518 0.000 1.287 179 G CA 0.710 45.575 45.100 -0.393 0.000 0.850 179 G HN -0.665 7.449 8.290 -0.293 0.000 0.515 180 I N -0.602 119.693 120.570 -0.458 0.000 2.330 180 I HA 0.214 nan 4.170 nan 0.000 0.289 180 I C -1.184 174.744 176.117 -0.315 0.000 1.001 180 I CA -0.728 60.235 61.300 -0.562 0.000 1.193 180 I CB 1.226 38.879 38.000 -0.578 0.000 1.345 180 I HN 0.110 8.166 8.210 -0.256 0.000 0.461 181 D N 9.542 129.807 120.400 -0.225 0.000 2.085 181 D HA -0.127 nan 4.640 nan 0.000 0.199 181 D C -1.244 174.944 176.300 -0.187 0.000 0.981 181 D CA 2.998 56.912 54.000 -0.143 0.000 0.834 181 D CB 1.142 41.908 40.800 -0.056 0.000 0.992 181 D HN 0.245 8.487 8.370 -0.213 0.000 0.457 182 A N -5.214 117.510 122.820 -0.161 0.000 2.515 182 A HA 0.864 nan 4.320 nan 0.000 0.296 182 A C -2.887 174.604 177.584 -0.155 0.000 1.094 182 A CA -1.489 50.454 52.037 -0.157 0.000 0.718 182 A CB 3.553 22.595 19.000 0.069 0.000 1.307 182 A HN -0.758 7.320 8.150 -0.121 0.000 0.408 183 V N 0.095 119.905 119.914 -0.173 0.000 2.668 183 V HA 0.842 nan 4.120 nan 0.000 0.304 183 V C -2.760 173.422 176.094 0.147 0.000 1.071 183 V CA -1.391 60.883 62.300 -0.044 0.000 0.894 183 V CB 3.762 35.511 31.823 -0.124 0.000 1.008 183 V HN 0.234 8.283 8.190 -0.236 0.000 0.425 184 V N 7.587 127.631 119.914 0.216 0.000 2.680 184 V HA 1.102 nan 4.120 nan 0.000 0.309 184 V C -3.081 173.150 176.094 0.228 0.000 1.052 184 V CA -2.987 59.483 62.300 0.284 0.000 0.908 184 V CB 3.429 35.400 31.823 0.248 0.000 1.001 184 V HN 0.685 8.977 8.190 0.170 0.000 0.431 185 L N 7.013 128.379 121.223 0.239 0.000 2.482 185 L HA 0.761 nan 4.340 nan 0.000 0.263 185 L C -2.708 174.304 176.870 0.235 0.000 0.957 185 L CA -0.327 54.646 54.840 0.220 0.000 0.836 185 L CB 4.310 46.495 42.059 0.210 0.000 1.324 185 L HN 0.950 9.338 8.230 0.263 0.000 0.406 186 S N 5.815 121.671 115.700 0.260 0.000 2.614 186 S HA 0.645 nan 4.470 nan 0.000 0.288 186 S C -2.058 172.775 174.600 0.388 0.000 1.137 186 S CA -0.716 57.690 58.200 0.342 0.000 0.992 186 S CB 3.143 66.547 63.200 0.340 0.000 1.026 186 S HN 0.446 8.907 8.310 0.251 0.000 0.486 187 T N 6.146 120.911 114.554 0.350 0.000 2.886 187 T HA 0.532 nan 4.350 nan 0.000 0.292 187 T C -1.751 172.853 174.700 -0.160 0.000 1.012 187 T CA -0.444 61.714 62.100 0.096 0.000 0.982 187 T CB 2.913 71.855 68.868 0.123 0.000 1.018 187 T HN 0.714 9.527 8.240 0.394 -0.337 0.451 188 Q N 5.590 124.892 119.800 -0.830 0.000 2.392 188 Q HA 0.210 nan 4.340 nan 0.000 0.262 188 Q C -0.851 175.033 176.000 -0.194 0.000 1.003 188 Q CA 0.859 56.105 55.803 -0.928 0.000 0.888 188 Q CB 1.293 29.509 28.738 -0.869 0.000 1.260 188 Q HN 0.545 8.387 8.270 -0.714 0.000 0.435 189 H N 0.523 119.575 119.070 -0.030 0.000 2.990 189 H HA 0.699 nan 4.556 nan 0.000 0.343 189 H C -1.829 173.584 175.328 0.141 0.000 1.270 189 H CA -2.500 53.631 56.048 0.139 0.000 1.118 189 H CB 3.633 33.581 29.762 0.311 0.000 1.861 189 H HN 0.609 8.576 8.280 -0.521 0.000 0.544 190 S N -1.761 114.130 115.700 0.318 0.000 2.624 190 S HA 0.051 nan 4.470 nan 0.000 0.263 190 S C 1.538 176.281 174.600 0.237 0.000 1.287 190 S CA -0.915 57.411 58.200 0.210 0.000 0.990 190 S CB 1.433 64.766 63.200 0.221 0.000 0.950 190 S HN 0.241 8.833 8.310 0.470 0.000 0.561 191 E N 0.438 120.725 120.200 0.144 0.000 2.418 191 E HA -0.171 nan 4.350 nan 0.000 0.197 191 E C 0.358 177.019 176.600 0.102 0.000 1.026 191 E CA 2.155 58.628 56.400 0.122 0.000 0.862 191 E CB -0.627 29.121 29.700 0.080 0.000 0.799 191 E HN 0.517 8.946 8.360 0.114 0.000 0.518 192 E N -1.418 118.844 120.200 0.104 0.000 2.072 192 E HA -0.210 nan 4.350 nan 0.000 0.190 192 E C 0.259 176.838 176.600 -0.034 0.000 0.982 192 E CA 0.977 57.407 56.400 0.050 0.000 0.803 192 E CB 0.416 30.167 29.700 0.084 0.000 0.755 192 E HN -0.507 7.854 8.360 0.143 0.085 0.453 193 I N -1.023 119.498 120.570 -0.082 0.000 2.612 193 I HA -0.042 nan 4.170 nan 0.000 0.295 193 I C -1.306 174.658 176.117 -0.256 0.000 1.011 193 I CA -0.618 60.475 61.300 -0.346 0.000 1.326 193 I CB 1.285 38.793 38.000 -0.820 0.000 1.427 193 I HN -0.812 7.428 8.210 0.050 0.000 0.537 194 D N 5.439 125.660 120.400 -0.299 0.000 2.217 194 D HA 0.159 nan 4.640 nan 0.000 0.248 194 D C 0.757 176.896 176.300 -0.267 0.000 1.008 194 D CA -1.467 52.409 54.000 -0.208 0.000 0.914 194 D CB 2.236 42.954 40.800 -0.137 0.000 1.182 194 D HN -0.073 8.085 8.370 -0.354 0.000 0.451 195 Q N 1.797 121.488 119.800 -0.181 0.000 2.082 195 Q HA -0.420 nan 4.340 nan 0.000 0.211 195 Q C 2.047 177.980 176.000 -0.111 0.000 1.002 195 Q CA 3.536 59.257 55.803 -0.137 0.000 0.868 195 Q CB -0.275 28.435 28.738 -0.047 0.000 0.931 195 Q HN 0.520 8.719 8.270 -0.118 0.000 0.414 196 K N -1.398 118.946 120.400 -0.093 0.000 2.103 196 K HA -0.201 nan 4.320 nan 0.000 0.204 196 K C 2.351 178.891 176.600 -0.100 0.000 1.052 196 K CA 2.407 58.651 56.287 -0.073 0.000 0.945 196 K CB -0.103 32.364 32.500 -0.055 0.000 0.722 196 K HN -0.111 8.434 8.250 -0.091 -0.349 0.443 197 S N 0.544 116.150 115.700 -0.155 0.000 2.382 197 S HA -0.307 nan 4.470 nan 0.000 0.228 197 S C 2.024 176.484 174.600 -0.232 0.000 1.027 197 S CA 3.135 61.215 58.200 -0.201 0.000 0.991 197 S CB -0.225 62.807 63.200 -0.281 0.000 0.823 197 S HN -0.590 7.621 8.310 -0.165 0.000 0.469 198 L N 2.230 123.280 121.223 -0.288 0.000 2.005 198 L HA -0.338 nan 4.340 nan 0.000 0.207 198 L C 0.795 177.696 176.870 0.052 0.000 1.072 198 L CA 3.271 58.004 54.840 -0.178 0.000 0.744 198 L CB 0.022 41.957 42.059 -0.207 0.000 0.895 198 L HN 0.164 8.007 8.230 -0.288 0.214 0.433 199 Q N -3.163 116.640 119.800 0.005 0.000 2.436 199 Q HA -0.330 nan 4.340 nan 0.000 0.209 199 Q C 2.658 178.662 176.000 0.007 0.000 0.965 199 Q CA 2.574 58.396 55.803 0.031 0.000 0.910 199 Q CB -0.646 28.105 28.738 0.022 0.000 0.980 199 Q HN 0.153 8.398 8.270 -0.042 0.000 0.491 200 E N 1.935 122.132 120.200 -0.005 0.000 2.028 200 E HA -0.323 nan 4.350 nan 0.000 0.191 200 E C 1.585 178.206 176.600 0.034 0.000 0.988 200 E CA 3.172 59.567 56.400 -0.007 0.000 0.799 200 E CB -0.170 29.520 29.700 -0.017 0.000 0.755 200 E HN -0.564 7.762 8.360 -0.022 0.021 0.447 201 A N -0.914 121.971 122.820 0.108 0.000 1.898 201 A HA -0.197 nan 4.320 nan 0.000 0.216 201 A C 2.396 180.059 177.584 0.131 0.000 1.181 201 A CA 3.257 55.398 52.037 0.173 0.000 0.620 201 A CB -0.590 18.656 19.000 0.410 0.000 0.819 201 A HN -0.571 7.644 8.150 0.108 0.000 0.442 202 V N -0.378 119.627 119.914 0.151 0.000 2.332 202 V HA -0.464 nan 4.120 nan 0.000 0.248 202 V C 1.763 177.887 176.094 0.050 0.000 1.055 202 V CA 4.680 67.042 62.300 0.103 0.000 1.038 202 V CB -0.811 31.091 31.823 0.132 0.000 0.651 202 V HN 0.350 8.663 8.190 0.205 0.000 0.450 203 M N -0.838 118.766 119.600 0.008 0.000 2.067 203 M HA -0.389 nan 4.480 nan 0.000 0.260 203 M C 1.550 177.819 176.300 -0.051 0.000 1.069 203 M CA 2.951 58.208 55.300 -0.072 0.000 1.117 203 M CB -0.615 31.901 32.600 -0.139 0.000 1.334 203 M HN -0.659 7.642 8.290 0.018 0.000 0.407 204 E N -1.428 118.758 120.200 -0.024 0.000 2.028 204 E HA -0.243 nan 4.350 nan 0.000 0.190 204 E C 2.750 179.349 176.600 -0.001 0.000 0.984 204 E CA 2.652 59.042 56.400 -0.017 0.000 0.800 204 E CB -0.428 29.269 29.700 -0.006 0.000 0.758 204 E HN -0.019 8.335 8.360 -0.010 0.000 0.448 205 E N -3.217 116.991 120.200 0.013 0.000 2.318 205 E HA 0.015 nan 4.350 nan 0.000 0.193 205 E C 1.365 177.970 176.600 0.008 0.000 0.998 205 E CA 1.733 58.138 56.400 0.008 0.000 0.859 205 E CB 0.985 30.688 29.700 0.005 0.000 0.812 205 E HN -0.090 8.286 8.360 0.026 0.000 0.492 206 I N -0.864 119.720 120.570 0.023 0.000 3.196 206 I HA -0.121 nan 4.170 nan 0.000 0.248 206 I C 1.426 177.584 176.117 0.068 0.000 1.105 206 I CA 2.631 63.954 61.300 0.038 0.000 1.482 206 I CB 1.072 39.097 38.000 0.042 0.000 1.400 206 I HN -0.453 7.679 8.210 0.027 0.095 0.464 207 I N -0.832 119.785 120.570 0.078 0.000 2.193 207 I HA -0.487 nan 4.170 nan 0.000 0.240 207 I C 1.760 177.932 176.117 0.092 0.000 1.084 207 I CA 4.358 65.730 61.300 0.119 0.000 1.365 207 I CB 0.264 38.352 38.000 0.147 0.000 1.064 207 I HN 0.057 8.303 8.210 0.060 0.000 0.410 208 K N 0.248 120.666 120.400 0.029 0.000 2.152 208 K HA -0.194 nan 4.320 nan 0.000 0.206 208 K C -1.035 175.578 176.600 0.022 0.000 1.048 208 K CA 3.891 60.185 56.287 0.011 0.000 0.933 208 K CB -1.584 30.900 32.500 -0.028 0.000 0.721 208 K HN -0.018 8.233 8.250 0.002 0.000 0.447 209 P HA -0.089 nan 4.420 nan 0.000 0.245 209 P C -0.617 176.717 177.300 0.058 0.000 1.206 209 P CA 0.854 63.971 63.100 0.028 0.000 0.781 209 P CB 0.310 32.023 31.700 0.021 0.000 0.994 210 I N -4.655 115.973 120.570 0.097 0.000 3.300 210 I HA 0.083 nan 4.170 nan 0.000 0.279 210 I C -0.253 175.977 176.117 0.189 0.000 1.172 210 I CA 0.117 61.520 61.300 0.172 0.000 1.431 210 I CB 1.462 39.590 38.000 0.213 0.000 1.240 210 I HN -0.372 7.728 8.210 0.095 0.167 0.453 211 L N 0.469 121.764 121.223 0.120 0.000 2.319 211 L HA 0.155 nan 4.340 nan 0.000 0.280 211 L C -2.056 174.758 176.870 -0.093 0.000 1.099 211 L CA -1.702 53.143 54.840 0.007 0.000 0.828 211 L CB -0.621 41.485 42.059 0.078 0.000 1.150 211 L HN -0.790 7.513 8.230 0.121 0.000 0.442 212 P HA -0.029 nan 4.420 nan 0.000 0.263 212 P C -0.462 176.673 177.300 -0.275 0.000 1.195 212 P CA -0.148 62.699 63.100 -0.421 0.000 0.762 212 P CB 0.897 31.974 31.700 -1.039 0.000 0.799 213 A N 7.437 130.147 122.820 -0.184 0.000 1.933 213 A HA -0.230 nan 4.320 nan 0.000 0.218 213 A C 2.143 179.684 177.584 -0.071 0.000 1.175 213 A CA 2.654 54.639 52.037 -0.087 0.000 0.628 213 A CB -0.728 18.231 19.000 -0.068 0.000 0.814 213 A HN 0.439 8.469 8.150 -0.201 0.000 0.444 214 E N -1.356 118.760 120.200 -0.139 0.000 2.160 214 E HA -0.241 nan 4.350 nan 0.000 0.195 214 E C 0.823 177.459 176.600 0.061 0.000 0.991 214 E CA 2.280 58.635 56.400 -0.075 0.000 0.810 214 E CB -1.117 28.501 29.700 -0.136 0.000 0.742 214 E HN 0.473 8.708 8.360 -0.208 0.000 0.466 215 W N -2.493 118.753 121.300 -0.090 0.000 2.519 215 W HA -0.025 nan 4.660 nan 0.000 0.266 215 W C -0.642 175.787 176.519 -0.150 0.000 1.253 215 W CA -0.684 56.575 57.345 -0.144 0.000 1.274 215 W CB 0.026 29.345 29.460 -0.234 0.000 1.114 215 W HN -0.565 7.368 8.180 -0.214 0.118 0.596 216 L N -1.308 119.973 121.223 0.098 0.000 2.276 216 L HA 0.161 nan 4.340 nan 0.000 0.286 216 L C -0.220 176.691 176.870 0.068 0.000 1.061 216 L CA -0.248 54.637 54.840 0.076 0.000 0.807 216 L CB -0.013 42.137 42.059 0.151 0.000 1.177 216 L HN -0.574 7.507 8.230 0.068 0.190 0.429 217 T N -1.055 113.528 114.554 0.048 0.000 2.905 217 T HA 0.434 nan 4.350 nan 0.000 0.283 217 T C 1.550 176.284 174.700 0.057 0.000 1.031 217 T CA -1.739 60.385 62.100 0.039 0.000 1.002 217 T CB 2.814 71.690 68.868 0.013 0.000 1.200 217 T HN 0.405 8.658 8.240 0.020 0.000 0.560 218 S N 2.353 118.075 115.700 0.037 0.000 2.419 218 S HA -0.187 nan 4.470 nan 0.000 0.235 218 S C 0.503 175.120 174.600 0.028 0.000 1.019 218 S CA 2.788 61.008 58.200 0.033 0.000 0.982 218 S CB -0.482 62.729 63.200 0.018 0.000 0.789 218 S HN 0.449 8.775 8.310 0.028 0.000 0.490 219 A N -1.097 121.728 122.820 0.009 0.000 2.238 219 A HA 0.151 nan 4.320 nan 0.000 0.210 219 A C -0.525 177.031 177.584 -0.046 0.000 1.179 219 A CA 0.118 52.148 52.037 -0.011 0.000 0.827 219 A CB 0.539 19.529 19.000 -0.016 0.000 0.856 219 A HN -0.482 7.632 8.150 0.007 0.040 0.488 220 T N 3.146 117.666 114.554 -0.057 0.000 2.751 220 T HA -0.135 nan 4.350 nan 0.000 0.290 220 T C -0.301 174.234 174.700 -0.276 0.000 0.919 220 T CA 1.165 63.132 62.100 -0.221 0.000 1.136 220 T CB -0.584 68.108 68.868 -0.293 0.000 0.875 220 T HN -0.661 7.421 8.240 0.007 0.162 0.532 221 K N 7.857 128.067 120.400 -0.317 0.000 2.315 221 K HA 0.103 nan 4.320 nan 0.000 0.291 221 K C -0.915 175.303 176.600 -0.637 0.000 1.074 221 K CA -0.480 55.563 56.287 -0.408 0.000 0.936 221 K CB 0.361 32.679 32.500 -0.302 0.000 1.049 221 K HN 0.212 8.303 8.250 -0.265 0.000 0.471 222 F N 3.442 123.090 119.950 -0.504 0.000 2.408 222 F HA 0.323 nan 4.527 nan 0.000 0.344 222 F C 0.002 175.483 175.800 -0.532 0.000 1.112 222 F CA -0.718 57.071 58.000 -0.351 0.000 1.096 222 F CB 1.470 40.374 39.000 -0.159 0.000 1.129 222 F HN -0.090 8.170 8.300 -0.067 0.000 0.486 223 F N 4.471 124.532 119.950 0.185 0.000 2.443 223 F HA 0.277 nan 4.527 nan 0.000 0.369 223 F C -1.563 174.324 175.800 0.146 0.000 1.090 223 F CA -1.357 56.722 58.000 0.132 0.000 1.129 223 F CB 1.016 40.066 39.000 0.083 0.000 1.367 223 F HN 0.961 9.295 8.300 0.232 0.105 0.465 224 I N 2.808 123.534 120.570 0.260 0.000 2.342 224 I HA -0.010 nan 4.170 nan 0.000 0.291 224 I C -0.253 175.987 176.117 0.205 0.000 1.010 224 I CA -0.442 60.988 61.300 0.216 0.000 1.308 224 I CB 0.606 38.699 38.000 0.155 0.000 1.400 224 I HN 0.134 8.469 8.210 0.209 0.000 0.488 225 N N 7.407 126.237 118.700 0.218 0.000 2.689 225 N HA -0.247 nan 4.740 nan 0.000 0.263 225 N C -1.354 174.260 175.510 0.174 0.000 0.987 225 N CA 1.053 54.231 53.050 0.214 0.000 0.782 225 N CB -1.526 37.092 38.487 0.219 0.000 0.903 225 N HN 0.395 8.915 8.380 0.233 0.000 0.547 226 P HA -0.123 nan 4.420 nan 0.000 0.216 226 P C 0.174 177.529 177.300 0.091 0.000 1.150 226 P CA 1.786 64.973 63.100 0.144 0.000 0.837 226 P CB -0.310 31.452 31.700 0.103 0.000 0.786 227 T N -8.847 105.747 114.554 0.066 0.000 3.107 227 T HA 0.038 nan 4.350 nan 0.000 0.249 227 T C 0.720 175.463 174.700 0.073 0.000 1.096 227 T CA -0.279 61.849 62.100 0.046 0.000 1.012 227 T CB -0.075 68.796 68.868 0.006 0.000 0.977 227 T HN -0.190 8.088 8.240 0.062 0.000 0.527 228 G N 2.647 111.515 108.800 0.113 0.000 2.377 228 G HA2 0.254 nan 3.960 nan 0.000 0.316 228 G HA3 0.254 nan 3.960 nan 0.000 0.316 228 G C -1.362 173.675 174.900 0.229 0.000 1.115 228 G CA -0.541 44.657 45.100 0.164 0.000 0.952 228 G HN -0.334 8.015 8.290 0.118 0.012 0.441 229 R N 4.626 125.263 120.500 0.227 0.000 2.423 229 R HA 0.165 nan 4.340 nan 0.000 0.293 229 R C -1.244 175.235 176.300 0.297 0.000 1.196 229 R CA -1.640 54.677 56.100 0.361 0.000 1.262 229 R CB 0.117 30.579 30.300 0.269 0.000 1.116 229 R HN -0.229 8.131 8.270 0.149 0.000 0.566 230 F N 6.012 126.059 119.950 0.161 0.000 2.468 230 F HA 0.015 nan 4.527 nan 0.000 0.356 230 F C -1.793 173.801 175.800 -0.343 0.000 1.167 230 F CA -1.571 56.414 58.000 -0.024 0.000 1.135 230 F CB -0.528 38.535 39.000 0.106 0.000 1.197 230 F HN -0.049 8.668 8.300 0.695 0.000 0.569 231 V N 7.108 127.047 119.914 0.042 0.000 2.854 231 V HA -0.009 nan 4.120 nan 0.000 0.236 231 V C -0.973 175.130 176.094 0.014 0.000 1.157 231 V CA 1.742 63.966 62.300 -0.127 0.000 1.187 231 V CB 1.691 33.464 31.823 -0.085 0.000 0.949 231 V HN -0.279 8.021 8.190 0.183 0.000 0.488 232 I N -6.111 114.520 120.570 0.102 0.000 2.577 232 I HA 0.471 nan 4.170 nan 0.000 0.300 232 I C -0.132 176.113 176.117 0.214 0.000 0.990 232 I CA -1.324 60.048 61.300 0.121 0.000 1.283 232 I CB 0.994 39.045 38.000 0.086 0.000 1.411 232 I HN -0.684 7.594 8.210 0.114 0.000 0.515 233 G N 2.313 111.229 108.800 0.193 0.000 2.578 233 G HA2 0.350 nan 3.960 nan 0.000 0.302 233 G HA3 0.350 nan 3.960 nan 0.000 0.302 233 G C -1.516 173.432 174.900 0.080 0.000 1.243 233 G CA -0.215 45.040 45.100 0.260 0.000 0.843 233 G HN -0.004 8.380 8.290 0.156 0.000 0.486 234 G N -0.171 108.661 108.800 0.053 0.000 2.578 234 G HA2 -0.380 nan 3.960 nan 0.000 0.275 234 G HA3 -0.380 nan 3.960 nan 0.000 0.275 234 G C -1.926 172.768 174.900 -0.343 0.000 1.271 234 G CA 0.312 45.257 45.100 -0.257 0.000 0.941 234 G HN -0.337 8.362 8.290 0.171 -0.306 0.564 235 P HA -0.228 nan 4.420 nan 0.000 0.222 235 P C -0.588 176.584 177.300 -0.214 0.000 1.142 235 P CA 1.828 64.651 63.100 -0.461 0.000 0.788 235 P CB 0.252 31.436 31.700 -0.859 0.000 0.767 236 M N -1.551 117.975 119.600 -0.124 0.000 2.513 236 M HA -0.354 nan 4.480 nan 0.000 0.341 236 M C 1.352 177.628 176.300 -0.040 0.000 1.689 236 M CA 1.262 56.542 55.300 -0.032 0.000 1.202 236 M CB -1.595 31.011 32.600 0.010 0.000 1.996 236 M HN -0.816 7.337 8.290 -0.155 0.044 0.458 237 G N 5.544 114.322 108.800 -0.037 0.000 2.212 237 G HA2 -0.437 nan 3.960 nan 0.000 0.266 237 G HA3 -0.437 nan 3.960 nan 0.000 0.266 237 G C -1.083 173.780 174.900 -0.060 0.000 0.978 237 G CA 0.736 45.814 45.100 -0.036 0.000 0.632 237 G HN 0.196 8.465 8.290 -0.035 0.000 0.537 238 D N -1.015 119.329 120.400 -0.093 0.000 2.567 238 D HA 0.203 nan 4.640 nan 0.000 0.275 238 D C -1.842 174.372 176.300 -0.143 0.000 1.195 238 D CA -1.415 52.515 54.000 -0.117 0.000 1.087 238 D CB 2.349 43.060 40.800 -0.148 0.000 1.165 238 D HN -0.810 7.415 8.370 -0.103 0.084 0.609 239 C N -0.606 118.586 119.300 -0.179 0.000 2.947 239 C HA 0.245 nan 4.460 nan 0.000 0.401 239 C C -1.391 173.430 174.990 -0.282 0.000 1.019 239 C CA -0.814 58.061 59.018 -0.238 0.000 1.230 239 C CB 2.091 29.706 27.740 -0.208 0.000 1.644 239 C HN -0.055 8.073 8.230 -0.170 0.000 0.523 240 G N 6.050 114.656 108.800 -0.325 0.000 2.415 240 G HA2 0.596 nan 3.960 nan 0.000 0.327 240 G HA3 0.596 nan 3.960 nan 0.000 0.327 240 G C -2.840 171.885 174.900 -0.292 0.000 1.182 240 G CA -1.010 43.947 45.100 -0.239 0.000 0.924 240 G HN 0.754 8.716 8.290 -0.367 0.108 0.470 241 L N 1.867 122.973 121.223 -0.195 0.000 2.409 241 L HA 0.679 nan 4.340 nan 0.000 0.262 241 L C -0.286 176.545 176.870 -0.066 0.000 0.992 241 L CA -1.157 53.595 54.840 -0.147 0.000 0.817 241 L CB 4.519 46.490 42.059 -0.147 0.000 1.350 241 L HN -0.377 7.937 8.230 -0.131 -0.162 0.411 242 T N 0.124 114.661 114.554 -0.028 0.000 2.940 242 T HA -0.054 nan 4.350 nan 0.000 0.309 242 T C 1.254 175.930 174.700 -0.041 0.000 1.056 242 T CA 0.592 62.679 62.100 -0.021 0.000 1.137 242 T CB 0.231 69.099 68.868 -0.000 0.000 0.976 242 T HN -0.095 8.139 8.240 -0.009 0.000 0.547 243 G N 7.093 115.860 108.800 -0.056 0.000 2.143 243 G HA2 -0.315 nan 3.960 nan 0.000 0.249 243 G HA3 -0.315 nan 3.960 nan 0.000 0.249 243 G C 0.423 175.256 174.900 -0.112 0.000 0.981 243 G CA 0.805 45.846 45.100 -0.099 0.000 0.665 243 G HN 0.428 9.008 8.290 -0.040 -0.314 0.528 244 R N -1.627 118.819 120.500 -0.089 0.000 2.140 244 R HA 0.007 nan 4.340 nan 0.000 0.213 244 R C 0.525 176.759 176.300 -0.110 0.000 1.059 244 R CA 0.398 56.441 56.100 -0.094 0.000 1.000 244 R CB 0.487 30.745 30.300 -0.071 0.000 0.910 244 R HN -0.633 7.537 8.270 -0.070 0.057 0.455 245 K N -0.117 120.221 120.400 -0.103 0.000 2.745 245 K HA 0.057 nan 4.320 nan 0.000 0.223 245 K C 0.775 177.298 176.600 -0.129 0.000 1.057 245 K CA -0.863 55.356 56.287 -0.114 0.000 1.217 245 K CB -1.322 31.110 32.500 -0.114 0.000 0.993 245 K HN -0.277 7.925 8.250 -0.081 0.000 0.478 246 I N 0.602 121.052 120.570 -0.200 0.000 2.113 246 I HA -0.482 nan 4.170 nan 0.000 0.242 246 I C 1.377 177.311 176.117 -0.305 0.000 1.057 246 I CA 3.515 64.621 61.300 -0.323 0.000 1.314 246 I CB 0.050 37.805 38.000 -0.409 0.000 1.022 246 I HN -0.165 7.816 8.210 -0.187 0.117 0.408 247 I N -1.745 118.672 120.570 -0.255 0.000 2.179 247 I HA -0.405 nan 4.170 nan 0.000 0.242 247 I C 1.612 177.717 176.117 -0.021 0.000 1.088 247 I CA 3.645 64.870 61.300 -0.125 0.000 1.357 247 I CB -0.620 37.319 38.000 -0.102 0.000 1.051 247 I HN -0.086 7.970 8.210 -0.258 0.000 0.409 248 V N -0.509 119.395 119.914 -0.017 0.000 2.332 248 V HA -0.507 nan 4.120 nan 0.000 0.248 248 V C 1.951 178.151 176.094 0.177 0.000 1.055 248 V CA 3.609 65.950 62.300 0.069 0.000 1.038 248 V CB -0.861 31.003 31.823 0.068 0.000 0.651 248 V HN -0.562 7.592 8.190 -0.060 0.000 0.450 249 D N -1.084 119.371 120.400 0.091 0.000 2.126 249 D HA -0.343 nan 4.640 nan 0.000 0.190 249 D C 2.200 178.510 176.300 0.017 0.000 1.001 249 D CA 3.593 57.673 54.000 0.135 0.000 0.841 249 D CB -0.500 40.332 40.800 0.053 0.000 0.949 249 D HN 0.434 8.814 8.370 0.018 0.000 0.446 250 T N 1.240 115.758 114.554 -0.060 0.000 2.558 250 T HA -0.096 nan 4.350 nan 0.000 0.247 250 T C 1.191 175.758 174.700 -0.221 0.000 1.146 250 T CA 4.420 66.396 62.100 -0.206 0.000 1.289 250 T CB 0.633 69.533 68.868 0.054 0.000 0.905 250 T HN -0.626 7.527 8.240 -0.023 0.073 0.397 251 Y N -4.835 115.608 120.300 0.238 0.000 3.022 251 Y HA 0.109 nan 4.550 nan 0.000 0.275 251 Y C -0.242 175.702 175.900 0.073 0.000 1.071 251 Y CA -1.198 57.007 58.100 0.176 0.000 1.276 251 Y CB 2.086 40.620 38.460 0.123 0.000 1.325 251 Y HN -0.033 8.322 8.280 0.124 0.000 0.594 252 G N 0.107 109.001 108.800 0.156 0.000 2.233 252 G HA2 -0.484 nan 3.960 nan 0.000 0.270 252 G HA3 -0.484 nan 3.960 nan 0.000 0.270 252 G C 0.130 175.131 174.900 0.169 0.000 1.011 252 G CA 1.228 46.395 45.100 0.112 0.000 0.762 252 G HN -0.216 8.144 8.290 0.117 0.000 0.511 253 G N -3.968 104.926 108.800 0.156 0.000 2.143 253 G HA2 -0.442 nan 3.960 nan 0.000 0.249 253 G HA3 -0.442 nan 3.960 nan 0.000 0.249 253 G C 0.380 175.390 174.900 0.183 0.000 0.981 253 G CA 0.518 45.709 45.100 0.152 0.000 0.665 253 G HN -0.111 8.234 8.290 0.165 0.044 0.528 254 M N 0.068 119.653 119.600 -0.026 0.000 2.117 254 M HA -0.238 nan 4.480 nan 0.000 0.262 254 M C -1.077 174.864 176.300 -0.600 0.000 1.065 254 M CA 1.823 56.813 55.300 -0.518 0.000 1.114 254 M CB 0.191 32.423 32.600 -0.613 0.000 1.361 254 M HN -0.061 8.210 8.290 0.065 0.058 0.408 255 A N -5.178 117.321 122.820 -0.535 0.000 2.309 255 A HA 0.394 nan 4.320 nan 0.000 0.317 255 A C -0.516 176.919 177.584 -0.248 0.000 1.134 255 A CA -1.345 50.393 52.037 -0.499 0.000 0.866 255 A CB 1.958 20.588 19.000 -0.617 0.000 1.329 255 A HN -0.615 7.359 8.150 -0.294 0.000 0.477 256 R N -0.573 119.665 120.500 -0.437 0.000 2.697 256 R HA -0.022 nan 4.340 nan 0.000 0.262 256 R C -0.693 175.392 176.300 -0.358 0.000 1.255 256 R CA 0.165 55.906 56.100 -0.598 0.000 1.136 256 R CB 0.950 30.505 30.300 -1.241 0.000 1.169 256 R HN -0.115 8.114 8.270 -0.509 -0.264 0.594 257 H N -3.604 115.296 119.070 -0.284 0.000 3.046 257 H HA 0.143 nan 4.556 nan 0.000 0.363 257 H C -0.724 174.779 175.328 0.292 0.000 1.203 257 H CA -0.486 55.624 56.048 0.105 0.000 1.169 257 H CB 2.269 32.044 29.762 0.021 0.000 1.851 257 H HN -0.007 8.158 8.280 -0.192 0.000 0.546 258 G N 2.469 111.517 108.800 0.414 0.000 2.525 258 G HA2 0.054 nan 3.960 nan 0.000 0.287 258 G HA3 0.054 nan 3.960 nan 0.000 0.287 258 G C 0.298 175.372 174.900 0.290 0.000 1.350 258 G CA -1.145 44.139 45.100 0.307 0.000 1.039 258 G HN 0.221 8.649 8.290 0.230 0.000 0.513 259 G N -1.260 107.638 108.800 0.164 0.000 2.485 259 G HA2 -0.255 nan 3.960 nan 0.000 0.221 259 G HA3 -0.255 nan 3.960 nan 0.000 0.221 259 G C -0.136 174.815 174.900 0.086 0.000 1.115 259 G CA 0.889 46.049 45.100 0.100 0.000 0.751 259 G HN 0.468 8.833 8.290 0.125 0.000 0.567 260 G N -0.850 108.035 108.800 0.142 0.000 2.416 260 G HA2 0.201 nan 3.960 nan 0.000 0.329 260 G HA3 0.201 nan 3.960 nan 0.000 0.329 260 G C -2.342 172.492 174.900 -0.109 0.000 1.173 260 G CA -1.438 43.671 45.100 0.016 0.000 0.929 260 G HN -0.698 7.707 8.290 0.276 0.050 0.475 261 A N 2.452 125.181 122.820 -0.152 0.000 2.302 261 A HA 0.365 nan 4.320 nan 0.000 0.285 261 A C 0.369 177.853 177.584 -0.167 0.000 1.105 261 A CA -0.651 51.233 52.037 -0.256 0.000 0.816 261 A CB 1.670 20.588 19.000 -0.136 0.000 1.067 261 A HN 0.111 8.206 8.150 -0.092 0.000 0.489 262 F N 0.763 120.625 119.950 -0.145 0.000 2.298 262 F HA 0.026 nan 4.527 nan 0.000 0.282 262 F C 0.311 176.027 175.800 -0.139 0.000 1.045 262 F CA 0.346 58.221 58.000 -0.210 0.000 1.280 262 F CB 0.377 39.194 39.000 -0.306 0.000 1.114 262 F HN 0.221 8.311 8.300 -0.349 0.000 0.546 263 S N -1.115 114.677 115.700 0.152 0.000 2.549 263 S HA -0.270 nan 4.470 nan 0.000 0.286 263 S C 0.920 175.532 174.600 0.021 0.000 1.314 263 S CA 1.681 59.941 58.200 0.101 0.000 1.062 263 S CB 0.103 63.376 63.200 0.123 0.000 0.865 263 S HN -0.460 7.941 8.310 0.153 0.000 0.498 264 G N 4.021 112.818 108.800 -0.004 0.000 2.184 264 G HA2 -0.539 nan 3.960 nan 0.000 0.264 264 G HA3 -0.539 nan 3.960 nan 0.000 0.264 264 G C -1.173 173.683 174.900 -0.073 0.000 0.975 264 G CA 0.341 45.425 45.100 -0.028 0.000 0.642 264 G HN 0.836 9.506 8.290 0.009 -0.375 0.536 265 K N 1.473 121.803 120.400 -0.117 0.000 2.235 265 K HA 0.396 nan 4.320 nan 0.000 0.266 265 K C -1.273 175.160 176.600 -0.278 0.000 0.980 265 K CA -1.929 54.259 56.287 -0.165 0.000 0.849 265 K CB 1.352 33.760 32.500 -0.152 0.000 1.098 265 K HN -0.640 7.479 8.250 -0.109 0.066 0.445 266 D N 5.246 125.502 120.400 -0.240 0.000 2.368 266 D HA 0.117 nan 4.640 nan 0.000 0.240 266 D C -0.404 175.703 176.300 -0.323 0.000 1.169 266 D CA -1.504 52.327 54.000 -0.283 0.000 0.906 266 D CB 0.048 40.746 40.800 -0.169 0.000 1.187 266 D HN -0.197 8.069 8.370 -0.175 0.000 0.435 267 P HA -0.194 nan 4.420 nan 0.000 0.223 267 P C 0.663 177.768 177.300 -0.325 0.000 1.144 267 P CA 2.187 65.086 63.100 -0.335 0.000 0.783 267 P CB -0.183 31.383 31.700 -0.223 0.000 0.771 268 S N -2.517 113.017 115.700 -0.276 0.000 2.469 268 S HA -0.298 nan 4.470 nan 0.000 0.238 268 S C 0.639 175.071 174.600 -0.279 0.000 0.998 268 S CA 2.392 60.410 58.200 -0.303 0.000 0.957 268 S CB -0.235 62.882 63.200 -0.140 0.000 0.764 268 S HN -0.183 8.273 8.310 -0.218 -0.277 0.514 269 K N 2.897 123.145 120.400 -0.255 0.000 2.338 269 K HA 0.031 nan 4.320 nan 0.000 0.290 269 K C 0.644 177.078 176.600 -0.276 0.000 1.069 269 K CA -0.436 55.714 56.287 -0.229 0.000 0.941 269 K CB -0.740 31.644 32.500 -0.193 0.000 1.023 269 K HN -0.573 7.476 8.250 -0.258 0.047 0.477 270 V N 1.380 121.122 119.914 -0.287 0.000 2.469 270 V HA -0.396 nan 4.120 nan 0.000 0.251 270 V C 1.084 177.062 176.094 -0.192 0.000 1.064 270 V CA 3.305 65.405 62.300 -0.334 0.000 1.066 270 V CB -0.728 30.762 31.823 -0.555 0.000 0.667 270 V HN 0.316 8.344 8.190 -0.270 0.000 0.461 271 D N -0.082 120.248 120.400 -0.116 0.000 2.149 271 D HA -0.379 nan 4.640 nan 0.000 0.194 271 D C 1.649 177.964 176.300 0.024 0.000 1.001 271 D CA 3.749 57.740 54.000 -0.016 0.000 0.849 271 D CB -0.508 40.290 40.800 -0.004 0.000 0.939 271 D HN 0.071 8.351 8.370 -0.126 0.014 0.449 272 R N -1.322 119.072 120.500 -0.176 0.000 2.048 272 R HA -0.038 nan 4.340 nan 0.000 0.221 272 R C 2.092 177.897 176.300 -0.825 0.000 1.174 272 R CA 2.534 58.298 56.100 -0.561 0.000 0.971 272 R CB 1.237 31.131 30.300 -0.676 0.000 0.863 272 R HN -0.507 7.619 8.270 -0.217 0.014 0.439 273 S N 0.149 115.479 115.700 -0.616 0.000 2.383 273 S HA -0.245 nan 4.470 nan 0.000 0.227 273 S C 2.166 176.606 174.600 -0.266 0.000 1.026 273 S CA 3.205 61.108 58.200 -0.497 0.000 0.981 273 S CB -0.132 62.844 63.200 -0.374 0.000 0.818 273 S HN -0.101 7.918 8.310 -0.486 0.000 0.472 274 A N 1.127 123.832 122.820 -0.192 0.000 1.933 274 A HA -0.214 nan 4.320 nan 0.000 0.218 274 A C 1.465 179.069 177.584 0.034 0.000 1.175 274 A CA 2.904 54.934 52.037 -0.013 0.000 0.628 274 A CB -1.032 18.041 19.000 0.122 0.000 0.814 274 A HN 0.141 8.036 8.150 -0.250 0.105 0.444 275 A N -0.640 122.186 122.820 0.011 0.000 1.898 275 A HA -0.169 nan 4.320 nan 0.000 0.216 275 A C 2.097 179.776 177.584 0.160 0.000 1.181 275 A CA 2.848 54.973 52.037 0.145 0.000 0.620 275 A CB -0.852 18.327 19.000 0.298 0.000 0.819 275 A HN -0.596 7.417 8.150 -0.079 0.090 0.442 276 Y N -1.648 118.488 120.300 -0.275 0.000 2.181 276 Y HA -0.383 nan 4.550 nan 0.000 0.288 276 Y C 2.302 178.128 175.900 -0.124 0.000 1.146 276 Y CA 0.972 58.827 58.100 -0.407 0.000 1.164 276 Y CB -1.217 36.771 38.460 -0.786 0.000 0.982 276 Y HN 0.130 8.334 8.280 -0.126 0.000 0.515 277 A N -1.273 121.610 122.820 0.105 0.000 1.898 277 A HA -0.384 nan 4.320 nan 0.000 0.216 277 A C 1.809 179.467 177.584 0.123 0.000 1.181 277 A CA 2.872 54.993 52.037 0.139 0.000 0.620 277 A CB -1.140 17.928 19.000 0.114 0.000 0.819 277 A HN 0.289 8.378 8.150 0.053 0.093 0.442 278 A N -1.123 121.740 122.820 0.072 0.000 1.902 278 A HA -0.331 nan 4.320 nan 0.000 0.217 278 A C 1.671 179.253 177.584 -0.002 0.000 1.181 278 A CA 3.083 55.139 52.037 0.031 0.000 0.623 278 A CB -0.787 18.256 19.000 0.072 0.000 0.818 278 A HN 0.326 8.444 8.150 0.081 0.080 0.443 279 R N -0.876 119.597 120.500 -0.044 0.000 2.105 279 R HA -0.348 nan 4.340 nan 0.000 0.239 279 R C 1.718 178.023 176.300 0.009 0.000 1.135 279 R CA 2.239 58.258 56.100 -0.134 0.000 0.967 279 R CB -0.690 29.253 30.300 -0.594 0.000 0.861 279 R HN -0.243 7.996 8.270 -0.052 0.000 0.442 280 Y N -0.831 119.445 120.300 -0.041 0.000 2.114 280 Y HA -0.398 nan 4.550 nan 0.000 0.284 280 Y C 1.708 177.488 175.900 -0.201 0.000 1.143 280 Y CA 3.991 62.078 58.100 -0.021 0.000 1.135 280 Y CB 0.163 38.676 38.460 0.089 0.000 0.980 280 Y HN -0.303 8.038 8.280 0.231 0.078 0.499 281 V N -0.442 119.259 119.914 -0.355 0.000 2.295 281 V HA -0.556 nan 4.120 nan 0.000 0.246 281 V C 1.382 177.201 176.094 -0.458 0.000 1.049 281 V CA 3.658 65.466 62.300 -0.820 0.000 1.024 281 V CB -0.962 30.248 31.823 -1.022 0.000 0.648 281 V HN 0.125 8.240 8.190 -0.124 0.000 0.447 282 A N -0.732 121.936 122.820 -0.254 0.000 1.902 282 A HA -0.381 nan 4.320 nan 0.000 0.217 282 A C 1.541 179.015 177.584 -0.183 0.000 1.181 282 A CA 3.445 55.369 52.037 -0.188 0.000 0.623 282 A CB -0.782 18.133 19.000 -0.142 0.000 0.818 282 A HN 0.050 8.081 8.150 -0.198 0.000 0.443 283 K N -1.545 118.758 120.400 -0.162 0.000 2.097 283 K HA -0.384 nan 4.320 nan 0.000 0.206 283 K C 2.260 178.772 176.600 -0.147 0.000 1.049 283 K CA 3.339 59.553 56.287 -0.121 0.000 0.933 283 K CB -0.199 32.269 32.500 -0.055 0.000 0.717 283 K HN -0.175 7.985 8.250 -0.150 0.000 0.442 284 N N -0.169 118.394 118.700 -0.229 0.000 2.084 284 N HA -0.294 nan 4.740 nan 0.000 0.190 284 N C 2.284 177.713 175.510 -0.136 0.000 1.030 284 N CA 3.636 56.564 53.050 -0.203 0.000 0.849 284 N CB 0.023 38.352 38.487 -0.263 0.000 1.012 284 N HN -0.354 7.840 8.380 -0.310 0.000 0.423 285 I N 0.483 120.969 120.570 -0.140 0.000 2.151 285 I HA -0.516 nan 4.170 nan 0.000 0.243 285 I C 1.508 177.572 176.117 -0.087 0.000 1.080 285 I CA 4.540 65.782 61.300 -0.095 0.000 1.339 285 I CB -0.093 37.849 38.000 -0.097 0.000 1.039 285 I HN -0.031 8.063 8.210 -0.193 0.000 0.409 286 V N -1.968 117.885 119.914 -0.101 0.000 2.591 286 V HA -0.315 nan 4.120 nan 0.000 0.249 286 V C 2.506 178.559 176.094 -0.067 0.000 1.053 286 V CA 3.699 65.947 62.300 -0.086 0.000 1.068 286 V CB -1.153 30.606 31.823 -0.107 0.000 0.689 286 V HN -0.216 7.892 8.190 -0.121 0.009 0.462 287 A N 0.881 123.659 122.820 -0.070 0.000 1.969 287 A HA -0.206 nan 4.320 nan 0.000 0.218 287 A C 0.890 178.443 177.584 -0.052 0.000 1.169 287 A CA 2.989 54.993 52.037 -0.054 0.000 0.635 287 A CB -0.512 18.455 19.000 -0.056 0.000 0.810 287 A HN 0.062 8.162 8.150 -0.084 0.000 0.445 288 A N -5.319 117.463 122.820 -0.064 0.000 2.168 288 A HA -0.057 nan 4.320 nan 0.000 0.215 288 A C -0.038 177.517 177.584 -0.048 0.000 1.152 288 A CA 0.347 52.347 52.037 -0.062 0.000 0.716 288 A CB 0.438 19.390 19.000 -0.081 0.000 0.794 288 A HN -0.332 7.767 8.150 -0.074 0.007 0.465 289 G N -3.521 105.254 108.800 -0.043 0.000 2.147 289 G HA2 -0.328 nan 3.960 nan 0.000 0.244 289 G HA3 -0.328 nan 3.960 nan 0.000 0.244 289 G C 0.351 175.234 174.900 -0.029 0.000 1.005 289 G CA 1.039 46.120 45.100 -0.032 0.000 0.713 289 G HN -0.394 7.668 8.290 -0.048 0.199 0.515 290 L N -1.735 119.468 121.223 -0.034 0.000 2.291 290 L HA -0.095 nan 4.340 nan 0.000 0.214 290 L C -1.357 175.500 176.870 -0.022 0.000 1.120 290 L CA 1.329 56.153 54.840 -0.025 0.000 0.799 290 L CB 0.105 42.149 42.059 -0.025 0.000 0.925 290 L HN -0.311 7.863 8.230 -0.044 0.030 0.446 291 A N -6.243 116.560 122.820 -0.028 0.000 2.586 291 A HA 0.123 nan 4.320 nan 0.000 0.290 291 A C -2.194 175.373 177.584 -0.028 0.000 1.086 291 A CA -0.407 51.618 52.037 -0.020 0.000 0.665 291 A CB 2.070 21.055 19.000 -0.025 0.000 1.279 291 A HN -0.918 7.175 8.150 -0.037 0.034 0.423 292 D N -2.257 118.136 120.400 -0.013 0.000 2.262 292 D HA 0.079 nan 4.640 nan 0.000 0.212 292 D C -0.182 176.081 176.300 -0.061 0.000 0.964 292 D CA 2.178 56.163 54.000 -0.025 0.000 0.875 292 D CB 1.931 42.729 40.800 -0.004 0.000 0.996 292 D HN -0.172 8.204 8.370 0.009 0.000 0.497 293 R N -3.130 117.349 120.500 -0.035 0.000 2.621 293 R HA 0.524 nan 4.340 nan 0.000 0.284 293 R C -2.519 173.773 176.300 -0.012 0.000 0.998 293 R CA -0.849 55.189 56.100 -0.104 0.000 0.895 293 R CB 3.478 33.763 30.300 -0.025 0.000 1.195 293 R HN -0.775 7.510 8.270 0.026 0.000 0.450 294 C N 3.136 122.300 119.300 -0.227 0.000 2.642 294 C HA 0.371 nan 4.460 nan 0.000 0.344 294 C C -2.121 172.786 174.990 -0.139 0.000 1.110 294 C CA -1.240 57.698 59.018 -0.134 0.000 1.298 294 C CB 2.977 30.626 27.740 -0.151 0.000 1.827 294 C HN 0.700 8.573 8.230 -0.596 0.000 0.467 295 E N 7.580 127.807 120.200 0.044 0.000 2.222 295 E HA 0.850 nan 4.350 nan 0.000 0.267 295 E C -2.295 174.378 176.600 0.122 0.000 0.884 295 E CA -1.731 54.811 56.400 0.237 0.000 0.764 295 E CB 4.043 33.999 29.700 0.427 0.000 1.169 295 E HN 0.670 8.980 8.360 -0.084 0.000 0.413 296 I N 4.431 125.098 120.570 0.162 0.000 2.545 296 I HA 0.473 nan 4.170 nan 0.000 0.292 296 I C -2.198 173.939 176.117 0.032 0.000 1.040 296 I CA -1.353 59.981 61.300 0.057 0.000 1.068 296 I CB 3.447 41.443 38.000 -0.006 0.000 1.251 296 I HN 0.705 9.062 8.210 0.245 0.000 0.424 297 Q N 6.330 126.035 119.800 -0.157 0.000 2.333 297 Q HA 0.601 nan 4.340 nan 0.000 0.265 297 Q C -2.419 173.393 176.000 -0.314 0.000 0.989 297 Q CA -1.280 54.224 55.803 -0.499 0.000 0.842 297 Q CB 3.103 31.399 28.738 -0.737 0.000 1.262 297 Q HN 0.071 8.277 8.270 -0.107 0.000 0.451 298 V N 6.239 125.981 119.914 -0.285 0.000 2.628 298 V HA 0.806 nan 4.120 nan 0.000 0.306 298 V C -2.514 173.385 176.094 -0.324 0.000 1.045 298 V CA -3.079 59.060 62.300 -0.268 0.000 0.905 298 V CB 3.523 35.240 31.823 -0.177 0.000 0.997 298 V HN 0.568 8.579 8.190 -0.299 0.000 0.436 299 S N 5.822 121.259 115.700 -0.439 0.000 2.704 299 S HA 0.928 nan 4.470 nan 0.000 0.296 299 S C -1.279 172.932 174.600 -0.648 0.000 1.138 299 S CA -1.612 56.377 58.200 -0.352 0.000 0.875 299 S CB 3.033 66.107 63.200 -0.209 0.000 1.151 299 S HN -0.112 7.911 8.310 -0.479 0.000 0.500 300 Y N -1.974 118.301 120.300 -0.042 0.000 2.615 300 Y HA 0.250 nan 4.550 nan 0.000 0.341 300 Y C -1.916 173.971 175.900 -0.021 0.000 1.089 300 Y CA -0.467 57.617 58.100 -0.027 0.000 1.049 300 Y CB 4.868 43.312 38.460 -0.027 0.000 1.296 300 Y HN 0.344 8.640 8.280 0.028 0.000 0.470 301 A N -0.644 122.263 122.820 0.145 0.000 2.435 301 A HA 0.323 nan 4.320 nan 0.000 0.304 301 A C -1.858 175.775 177.584 0.083 0.000 1.064 301 A CA -1.916 50.170 52.037 0.081 0.000 0.727 301 A CB 3.037 22.061 19.000 0.039 0.000 1.284 301 A HN 0.395 8.656 8.150 0.185 0.000 0.415 302 I N 1.157 121.760 120.570 0.053 0.000 2.662 302 I HA -0.337 nan 4.170 nan 0.000 0.285 302 I C 1.047 177.185 176.117 0.035 0.000 1.161 302 I CA 1.040 62.363 61.300 0.039 0.000 1.415 302 I CB -0.007 38.006 38.000 0.022 0.000 1.385 302 I HN 0.071 8.306 8.210 0.042 0.000 0.552 303 G N 6.692 115.514 108.800 0.037 0.000 2.179 303 G HA2 -0.450 nan 3.960 nan 0.000 0.260 303 G HA3 -0.450 nan 3.960 nan 0.000 0.260 303 G C -1.462 173.462 174.900 0.039 0.000 0.977 303 G CA 0.270 45.389 45.100 0.031 0.000 0.641 303 G HN 0.472 8.785 8.290 0.040 0.000 0.533 304 V N 0.891 120.839 119.914 0.056 0.000 2.644 304 V HA 0.185 nan 4.120 nan 0.000 0.295 304 V C -0.395 175.757 176.094 0.097 0.000 1.053 304 V CA -0.329 62.008 62.300 0.062 0.000 0.987 304 V CB 0.943 32.798 31.823 0.053 0.000 1.006 304 V HN -0.377 7.780 8.190 0.065 0.071 0.472 305 A N 5.088 127.963 122.820 0.091 0.000 1.942 305 A HA 0.183 nan 4.320 nan 0.000 0.209 305 A C -0.152 177.522 177.584 0.150 0.000 1.214 305 A CA 1.700 53.810 52.037 0.121 0.000 0.686 305 A CB 0.233 19.287 19.000 0.091 0.000 0.871 305 A HN 0.209 8.398 8.150 0.066 0.000 0.460 306 E N 0.022 120.280 120.200 0.096 0.000 2.373 306 E HA 0.119 nan 4.350 nan 0.000 0.267 306 E C -2.292 174.331 176.600 0.038 0.000 1.032 306 E CA -2.325 54.118 56.400 0.071 0.000 0.889 306 E CB 0.309 30.027 29.700 0.030 0.000 0.984 306 E HN -0.400 8.003 8.360 0.070 0.000 0.425 307 P HA -0.020 nan 4.420 nan 0.000 0.264 307 P C -0.911 176.270 177.300 -0.198 0.000 1.193 307 P CA 0.420 63.334 63.100 -0.309 0.000 0.763 307 P CB 0.828 32.287 31.700 -0.401 0.000 0.810 308 T N 0.724 115.159 114.554 -0.198 0.000 2.881 308 T HA -0.172 nan 4.350 nan 0.000 0.270 308 T C 0.077 174.699 174.700 -0.131 0.000 1.068 308 T CA 1.462 63.487 62.100 -0.124 0.000 1.131 308 T CB -0.233 68.580 68.868 -0.092 0.000 0.871 308 T HN 0.204 8.298 8.240 -0.243 0.000 0.479 309 S N -0.503 115.088 115.700 -0.182 0.000 2.537 309 S HA 0.075 nan 4.470 nan 0.000 0.270 309 S C -2.060 172.436 174.600 -0.174 0.000 1.142 309 S CA -0.797 57.315 58.200 -0.148 0.000 0.870 309 S CB 2.764 65.886 63.200 -0.130 0.000 1.112 309 S HN -0.822 7.312 8.310 -0.261 0.019 0.466 310 I N 1.785 122.280 120.570 -0.125 0.000 2.730 310 I HA 0.613 nan 4.170 nan 0.000 0.298 310 I C -1.503 174.558 176.117 -0.093 0.000 1.089 310 I CA -1.188 60.043 61.300 -0.114 0.000 1.041 310 I CB 4.063 42.019 38.000 -0.074 0.000 1.235 310 I HN 0.085 8.236 8.210 -0.099 0.000 0.423 311 M N 6.595 126.139 119.600 -0.094 0.000 2.238 311 M HA 0.468 nan 4.480 nan 0.000 0.278 311 M C -2.585 173.675 176.300 -0.066 0.000 1.040 311 M CA -1.074 54.181 55.300 -0.075 0.000 0.969 311 M CB 3.268 35.819 32.600 -0.082 0.000 1.694 311 M HN 0.159 8.385 8.290 -0.107 0.000 0.472 312 V N 1.079 120.953 119.914 -0.066 0.000 2.483 312 V HA 0.716 nan 4.120 nan 0.000 0.295 312 V C -1.835 174.178 176.094 -0.135 0.000 1.035 312 V CA -2.958 59.294 62.300 -0.081 0.000 0.896 312 V CB 0.731 32.513 31.823 -0.068 0.000 0.986 312 V HN 0.491 8.644 8.190 -0.061 0.000 0.447 313 E N 6.685 126.752 120.200 -0.221 0.000 2.185 313 E HA 0.466 nan 4.350 nan 0.000 0.261 313 E C -1.186 175.058 176.600 -0.594 0.000 0.879 313 E CA -0.950 55.186 56.400 -0.440 0.000 0.756 313 E CB 3.853 33.176 29.700 -0.627 0.000 1.152 313 E HN 0.743 8.996 8.360 -0.178 0.000 0.416 314 T N 2.874 117.198 114.554 -0.382 0.000 2.794 314 T HA 0.641 nan 4.350 nan 0.000 0.280 314 T C -0.110 174.506 174.700 -0.140 0.000 0.987 314 T CA -2.435 59.556 62.100 -0.182 0.000 0.993 314 T CB 0.812 69.636 68.868 -0.073 0.000 0.939 314 T HN 0.534 8.608 8.240 -0.276 0.000 0.449 315 F N 4.282 124.226 119.950 -0.010 0.000 2.318 315 F HA 0.108 nan 4.527 nan 0.000 0.356 315 F C 0.460 176.261 175.800 0.001 0.000 1.109 315 F CA -2.680 55.323 58.000 0.004 0.000 1.234 315 F CB -1.312 37.695 39.000 0.012 0.000 1.545 315 F HN 0.034 8.659 8.300 0.542 0.000 0.534 316 G N 2.037 110.914 108.800 0.129 0.000 2.166 316 G HA2 -0.396 nan 3.960 nan 0.000 0.260 316 G HA3 -0.396 nan 3.960 nan 0.000 0.260 316 G C -0.147 174.796 174.900 0.071 0.000 0.986 316 G CA 1.341 46.491 45.100 0.083 0.000 0.683 316 G HN -0.300 8.063 8.290 0.074 -0.029 0.527 317 T N -6.701 107.903 114.554 0.083 0.000 3.134 317 T HA 0.131 nan 4.350 nan 0.000 0.260 317 T C -0.195 174.524 174.700 0.032 0.000 1.027 317 T CA -1.528 60.609 62.100 0.063 0.000 0.913 317 T CB -0.296 68.627 68.868 0.091 0.000 1.046 317 T HN 0.168 8.495 8.240 0.092 -0.032 0.553 318 E N 2.025 122.237 120.200 0.021 0.000 2.391 318 E HA 0.081 nan 4.350 nan 0.000 0.255 318 E C -0.217 176.386 176.600 0.005 0.000 1.187 318 E CA 0.790 57.193 56.400 0.006 0.000 0.941 318 E CB 0.824 30.524 29.700 0.001 0.000 1.010 318 E HN -0.476 7.827 8.360 0.026 0.072 0.458 319 K N -1.203 119.197 120.400 -0.000 0.000 2.564 319 K HA 0.261 nan 4.320 nan 0.000 0.201 319 K C -1.640 174.960 176.600 0.001 0.000 1.086 319 K CA -0.489 55.798 56.287 0.000 0.000 1.062 319 K CB 1.001 33.499 32.500 -0.003 0.000 0.849 319 K HN 0.493 8.741 8.250 -0.004 0.000 0.529 320 V N -5.107 114.808 119.914 0.002 0.000 3.023 320 V HA 0.379 nan 4.120 nan 0.000 0.294 320 V C -3.089 173.007 176.094 0.003 0.000 1.324 320 V CA -3.932 58.370 62.300 0.005 0.000 0.979 320 V CB 1.619 33.447 31.823 0.009 0.000 1.093 320 V HN -0.550 7.578 8.190 0.001 0.063 0.434 321 P HA 0.226 nan 4.420 nan 0.000 0.269 321 P C 0.937 178.236 177.300 -0.002 0.000 1.209 321 P CA -0.395 62.706 63.100 0.001 0.000 0.776 321 P CB 1.121 32.822 31.700 0.002 0.000 0.876 322 S N 2.479 118.173 115.700 -0.010 0.000 2.423 322 S HA -0.463 nan 4.470 nan 0.000 0.238 322 S C 1.675 176.271 174.600 -0.008 0.000 1.028 322 S CA 4.177 62.367 58.200 -0.016 0.000 1.000 322 S CB -0.420 62.762 63.200 -0.030 0.000 0.797 322 S HN 0.662 8.964 8.310 -0.012 0.000 0.487 323 E N 0.505 120.703 120.200 -0.003 0.000 2.005 323 E HA -0.296 nan 4.350 nan 0.000 0.198 323 E C 1.964 178.571 176.600 0.011 0.000 1.010 323 E CA 3.142 59.543 56.400 0.001 0.000 0.825 323 E CB -1.207 28.493 29.700 0.000 0.000 0.769 323 E HN 0.237 8.572 8.360 -0.004 0.022 0.456 324 Q N -0.862 118.948 119.800 0.016 0.000 2.133 324 Q HA -0.325 nan 4.340 nan 0.000 0.208 324 Q C 2.572 178.598 176.000 0.043 0.000 0.991 324 Q CA 3.165 58.986 55.803 0.029 0.000 0.867 324 Q CB -0.626 28.128 28.738 0.028 0.000 0.911 324 Q HN -0.040 8.238 8.270 0.012 0.000 0.417 325 L N -1.662 119.580 121.223 0.031 0.000 1.989 325 L HA -0.487 nan 4.340 nan 0.000 0.211 325 L C 1.988 178.889 176.870 0.051 0.000 1.071 325 L CA 3.533 58.397 54.840 0.038 0.000 0.749 325 L CB -0.311 41.754 42.059 0.009 0.000 0.890 325 L HN 0.147 8.388 8.230 0.018 0.000 0.431 326 T N 0.782 115.353 114.554 0.029 0.000 2.833 326 T HA -0.299 nan 4.350 nan 0.000 0.269 326 T C 2.763 177.490 174.700 0.045 0.000 1.054 326 T CA 4.063 66.180 62.100 0.027 0.000 1.135 326 T CB -0.499 68.371 68.868 0.003 0.000 0.869 326 T HN -0.020 8.151 8.240 0.016 0.079 0.466 327 L N 2.345 123.594 121.223 0.042 0.000 1.943 327 L HA -0.423 nan 4.340 nan 0.000 0.215 327 L C 1.621 178.534 176.870 0.071 0.000 1.074 327 L CA 3.498 58.361 54.840 0.039 0.000 0.759 327 L CB -0.101 41.978 42.059 0.034 0.000 0.888 327 L HN -0.055 8.094 8.230 0.037 0.103 0.433 328 L N -3.027 118.276 121.223 0.134 0.000 2.081 328 L HA -0.466 nan 4.340 nan 0.000 0.212 328 L C 2.144 179.224 176.870 0.350 0.000 1.080 328 L CA 3.516 58.518 54.840 0.270 0.000 0.754 328 L CB -0.590 41.670 42.059 0.335 0.000 0.893 328 L HN -0.258 8.043 8.230 0.119 0.000 0.433 329 V N -0.925 119.162 119.914 0.288 0.000 2.233 329 V HA -0.489 nan 4.120 nan 0.000 0.247 329 V C 1.466 177.763 176.094 0.338 0.000 1.050 329 V CA 4.003 66.524 62.300 0.368 0.000 1.010 329 V CB -0.580 31.342 31.823 0.166 0.000 0.637 329 V HN 0.173 8.467 8.190 0.197 0.014 0.444 330 R N -3.273 117.322 120.500 0.159 0.000 2.404 330 R HA -0.140 nan 4.340 nan 0.000 0.236 330 R C -0.113 176.195 176.300 0.013 0.000 1.044 330 R CA 1.289 57.444 56.100 0.093 0.000 1.133 330 R CB -1.217 29.109 30.300 0.043 0.000 1.142 330 R HN -0.457 7.885 8.270 0.119 0.000 0.512 331 E N 1.795 121.971 120.200 -0.039 0.000 2.592 331 E HA -0.006 nan 4.350 nan 0.000 0.184 331 E C 0.995 177.346 176.600 -0.415 0.000 1.056 331 E CA 0.470 56.701 56.400 -0.282 0.000 1.151 331 E CB 0.574 30.023 29.700 -0.419 0.000 1.435 331 E HN -0.293 7.882 8.360 0.068 0.226 0.496 332 F N -0.669 119.115 119.950 -0.277 0.000 2.664 332 F HA -0.156 nan 4.527 nan 0.000 0.297 332 F C -1.010 174.142 175.800 -1.081 0.000 1.164 332 F CA 2.954 60.537 58.000 -0.695 0.000 1.472 332 F CB 0.107 38.548 39.000 -0.931 0.000 1.108 332 F HN -0.108 8.041 8.300 -0.251 0.000 0.596 333 F N -3.715 116.333 119.950 0.165 0.000 2.557 333 F HA 0.200 nan 4.527 nan 0.000 0.316 333 F C -1.548 174.318 175.800 0.111 0.000 1.141 333 F CA -2.376 55.731 58.000 0.178 0.000 0.922 333 F CB 2.876 41.994 39.000 0.196 0.000 1.194 333 F HN -0.846 7.297 8.300 -0.091 0.102 0.443 334 D N 4.347 124.877 120.400 0.215 0.000 2.347 334 D HA 0.065 nan 4.640 nan 0.000 0.235 334 D C -0.751 175.661 176.300 0.187 0.000 1.149 334 D CA -0.827 53.264 54.000 0.152 0.000 0.850 334 D CB 0.722 41.587 40.800 0.109 0.000 1.061 334 D HN -0.001 8.514 8.370 0.242 0.000 0.487 335 L N 3.665 124.996 121.223 0.181 0.000 2.769 335 L HA 0.136 nan 4.340 nan 0.000 0.240 335 L C -0.342 176.670 176.870 0.236 0.000 1.163 335 L CA -1.423 53.540 54.840 0.205 0.000 0.962 335 L CB 0.513 42.685 42.059 0.190 0.000 1.258 335 L HN 0.185 8.507 8.230 0.154 0.000 0.513 336 R N 0.945 121.549 120.500 0.174 0.000 2.537 336 R HA 0.044 nan 4.340 nan 0.000 0.280 336 R C -1.507 174.848 176.300 0.091 0.000 1.058 336 R CA -0.290 55.912 56.100 0.169 0.000 1.057 336 R CB -1.397 28.985 30.300 0.136 0.000 0.973 336 R HN -0.343 8.255 8.270 0.143 -0.243 0.438 337 P HA -0.347 nan 4.420 nan 0.000 0.218 337 P C 0.888 178.010 177.300 -0.298 0.000 1.165 337 P CA 3.057 66.015 63.100 -0.237 0.000 0.922 337 P CB -0.050 31.514 31.700 -0.227 0.000 0.794 338 Y N -5.086 115.192 120.300 -0.038 0.000 2.439 338 Y HA -0.237 nan 4.550 nan 0.000 0.292 338 Y C 2.370 178.273 175.900 0.004 0.000 1.130 338 Y CA 3.111 61.198 58.100 -0.022 0.000 1.254 338 Y CB -0.860 37.588 38.460 -0.020 0.000 1.000 338 Y HN -0.129 8.332 8.280 0.301 0.000 0.554 339 G N 0.087 108.952 108.800 0.108 0.000 2.453 339 G HA2 -0.351 nan 3.960 nan 0.000 0.215 339 G HA3 -0.351 nan 3.960 nan 0.000 0.215 339 G C 0.900 175.838 174.900 0.062 0.000 1.201 339 G CA 2.001 47.156 45.100 0.091 0.000 0.784 339 G HN -0.119 8.117 8.290 0.120 0.126 0.545 340 L N -0.513 120.734 121.223 0.040 0.000 2.191 340 L HA -0.253 nan 4.340 nan 0.000 0.212 340 L C 2.127 178.991 176.870 -0.009 0.000 1.103 340 L CA 2.765 57.627 54.840 0.036 0.000 0.769 340 L CB -1.440 40.645 42.059 0.043 0.000 0.908 340 L HN -0.010 8.243 8.230 0.039 0.000 0.438 341 I N -0.863 119.664 120.570 -0.072 0.000 2.226 341 I HA -0.600 nan 4.170 nan 0.000 0.245 341 I C 2.081 178.206 176.117 0.014 0.000 1.100 341 I CA 4.020 65.279 61.300 -0.068 0.000 1.374 341 I CB -0.691 37.206 38.000 -0.172 0.000 1.057 341 I HN -0.313 7.815 8.210 -0.120 0.010 0.413 342 Q N -1.842 117.981 119.800 0.038 0.000 2.187 342 Q HA -0.206 nan 4.340 nan 0.000 0.199 342 Q C 3.035 179.074 176.000 0.065 0.000 0.957 342 Q CA 2.474 58.316 55.803 0.064 0.000 0.857 342 Q CB -0.074 28.710 28.738 0.076 0.000 0.929 342 Q HN -0.292 7.902 8.270 0.034 0.096 0.453 343 M N 1.548 121.185 119.600 0.063 0.000 2.213 343 M HA -0.275 nan 4.480 nan 0.000 0.263 343 M C 0.354 176.653 176.300 -0.002 0.000 1.062 343 M CA 3.565 58.904 55.300 0.065 0.000 1.105 343 M CB 0.427 33.095 32.600 0.113 0.000 1.385 343 M HN 0.144 8.282 8.290 0.061 0.188 0.417 344 L N -7.045 114.177 121.223 -0.002 0.000 2.766 344 L HA 0.087 nan 4.340 nan 0.000 0.242 344 L C -0.956 175.975 176.870 0.101 0.000 1.136 344 L CA -1.123 53.715 54.840 -0.004 0.000 0.933 344 L CB 0.204 42.280 42.059 0.028 0.000 1.241 344 L HN -0.718 7.506 8.230 0.027 0.022 0.522 345 D N 0.161 120.628 120.400 0.112 0.000 2.890 345 D HA -0.293 nan 4.640 nan 0.000 0.226 345 D C 0.266 176.726 176.300 0.267 0.000 1.207 345 D CA 1.239 55.345 54.000 0.176 0.000 0.764 345 D CB -0.794 40.117 40.800 0.186 0.000 0.948 345 D HN -0.581 7.724 8.370 0.084 0.116 0.404 346 L N -1.737 119.596 121.223 0.183 0.000 2.307 346 L HA -0.034 nan 4.340 nan 0.000 0.211 346 L C 0.545 177.510 176.870 0.157 0.000 1.099 346 L CA 1.295 56.277 54.840 0.237 0.000 0.816 346 L CB 0.487 42.666 42.059 0.200 0.000 0.952 346 L HN -0.498 7.803 8.230 0.119 0.000 0.455 347 L N -1.314 119.862 121.223 -0.078 0.000 2.400 347 L HA -0.122 nan 4.340 nan 0.000 0.262 347 L C -0.832 175.678 176.870 -0.600 0.000 1.309 347 L CA 0.785 55.505 54.840 -0.200 0.000 1.186 347 L CB -1.465 40.486 42.059 -0.179 0.000 1.375 347 L HN -0.192 7.991 8.230 -0.078 0.000 0.433 348 H N 1.511 120.682 119.070 0.168 0.000 3.085 348 H HA 0.209 nan 4.556 nan 0.000 0.356 348 H C -2.239 173.162 175.328 0.122 0.000 1.178 348 H CA -2.351 53.761 56.048 0.106 0.000 1.214 348 H CB 2.963 32.757 29.762 0.052 0.000 1.881 348 H HN 0.069 8.419 8.280 0.162 0.027 0.538 349 P HA 0.052 nan 4.420 nan 0.000 0.259 349 P C -1.238 176.105 177.300 0.073 0.000 1.635 349 P CA 0.849 64.051 63.100 0.169 0.000 1.199 349 P CB -0.855 30.929 31.700 0.140 0.000 1.850 350 I N -6.036 114.459 120.570 -0.124 0.000 4.147 350 I HA 0.302 nan 4.170 nan 0.000 0.329 350 I C -0.406 175.563 176.117 -0.245 0.000 1.424 350 I CA -0.800 60.387 61.300 -0.188 0.000 1.127 350 I CB 0.517 38.388 38.000 -0.214 0.000 1.128 350 I HN -0.376 7.650 8.210 -0.272 0.021 0.417 351 Y N 0.395 120.781 120.300 0.143 0.000 2.436 351 Y HA -0.129 nan 4.550 nan 0.000 0.288 351 Y C 1.810 177.757 175.900 0.077 0.000 1.112 351 Y CA 2.178 60.345 58.100 0.112 0.000 1.220 351 Y CB 0.128 38.647 38.460 0.098 0.000 1.073 351 Y HN -0.143 8.673 8.280 0.127 -0.461 0.552 352 K N 0.600 121.113 120.400 0.188 0.000 2.152 352 K HA -0.392 nan 4.320 nan 0.000 0.206 352 K C 2.291 178.949 176.600 0.096 0.000 1.048 352 K CA 3.507 59.870 56.287 0.127 0.000 0.933 352 K CB -0.519 32.047 32.500 0.110 0.000 0.721 352 K HN -0.233 8.619 8.250 0.193 -0.486 0.447 353 E N -1.505 118.770 120.200 0.125 0.000 2.110 353 E HA -0.216 nan 4.350 nan 0.000 0.193 353 E C 1.946 178.621 176.600 0.125 0.000 0.988 353 E CA 2.605 59.111 56.400 0.177 0.000 0.804 353 E CB -0.454 29.429 29.700 0.305 0.000 0.745 353 E HN 0.231 8.653 8.360 0.133 0.018 0.458 354 T N -0.224 114.314 114.554 -0.028 0.000 2.897 354 T HA -0.161 nan 4.350 nan 0.000 0.271 354 T C 1.339 175.743 174.700 -0.494 0.000 1.084 354 T CA 2.759 64.655 62.100 -0.340 0.000 1.123 354 T CB -0.433 68.310 68.868 -0.209 0.000 0.865 354 T HN -0.333 7.793 8.240 0.022 0.127 0.496 355 A N -0.525 122.173 122.820 -0.204 0.000 2.167 355 A HA -0.022 nan 4.320 nan 0.000 0.214 355 A C -1.803 175.668 177.584 -0.189 0.000 1.151 355 A CA 1.297 53.248 52.037 -0.143 0.000 0.735 355 A CB 0.952 19.943 19.000 -0.015 0.000 0.802 355 A HN -0.330 7.591 8.150 -0.077 0.183 0.467 356 A N -5.054 117.593 122.820 -0.288 0.000 2.547 356 A HA 0.377 nan 4.320 nan 0.000 0.297 356 A C -1.844 175.341 177.584 -0.665 0.000 1.056 356 A CA 0.270 51.992 52.037 -0.524 0.000 0.688 356 A CB 1.524 20.137 19.000 -0.645 0.000 1.282 356 A HN -0.905 7.052 8.150 -0.239 0.049 0.400 357 Y N -4.804 115.391 120.300 -0.174 0.000 4.936 357 Y HA -0.487 nan 4.550 nan 0.000 0.266 357 Y C -0.951 174.544 175.900 -0.674 0.000 0.909 357 Y CA 0.420 58.310 58.100 -0.351 0.000 1.828 357 Y CB -2.304 36.070 38.460 -0.143 0.000 1.283 357 Y HN 0.837 8.682 8.280 -0.726 0.000 0.511 358 G N -4.854 103.695 108.800 -0.418 0.000 2.906 358 G HA2 -0.362 nan 3.960 nan 0.000 0.686 358 G HA3 -0.362 nan 3.960 nan 0.000 0.686 358 G C -0.300 174.559 174.900 -0.067 0.000 1.170 358 G CA -0.412 44.541 45.100 -0.245 0.000 0.775 358 G HN -0.851 7.157 8.290 -0.329 0.084 0.630 359 H N 3.247 122.209 119.070 -0.181 0.000 2.470 359 H HA 0.144 nan 4.556 nan 0.000 0.289 359 H C 0.456 175.808 175.328 0.040 0.000 1.033 359 H CA 3.595 59.451 56.048 -0.320 0.000 1.331 359 H CB 0.779 30.077 29.762 -0.773 0.000 1.414 359 H HN 0.090 8.388 8.280 0.030 0.000 0.545 360 F N -4.626 115.531 119.950 0.346 0.000 2.594 360 F HA 0.132 nan 4.527 nan 0.000 0.335 360 F C -0.025 175.959 175.800 0.307 0.000 1.058 360 F CA -2.167 56.050 58.000 0.362 0.000 0.981 360 F CB 1.944 41.131 39.000 0.312 0.000 1.289 360 F HN -0.835 7.513 8.300 0.144 0.039 0.490 361 G N -2.586 106.491 108.800 0.461 0.000 2.195 361 G HA2 -0.342 nan 3.960 nan 0.000 0.246 361 G HA3 -0.342 nan 3.960 nan 0.000 0.246 361 G C -0.931 174.065 174.900 0.159 0.000 0.984 361 G CA 0.249 45.520 45.100 0.286 0.000 0.633 361 G HN 0.249 9.318 8.290 0.465 -0.499 0.525 362 R N 0.285 120.854 120.500 0.115 0.000 2.332 362 R HA 0.182 nan 4.340 nan 0.000 0.306 362 R C 0.045 176.131 176.300 -0.356 0.000 1.117 362 R CA -1.778 54.257 56.100 -0.109 0.000 1.108 362 R CB 0.028 30.234 30.300 -0.156 0.000 1.126 362 R HN -0.333 8.027 8.270 0.233 0.050 0.548 363 E N 3.919 124.021 120.200 -0.164 0.000 2.401 363 E HA -0.353 nan 4.350 nan 0.000 0.204 363 E C 0.234 176.693 176.600 -0.235 0.000 1.036 363 E CA 2.369 58.679 56.400 -0.150 0.000 0.856 363 E CB -0.794 28.873 29.700 -0.055 0.000 0.770 363 E HN 0.722 9.042 8.360 -0.066 0.000 0.527 364 H N -6.218 112.573 119.070 -0.465 0.000 2.537 364 H HA 0.183 nan 4.556 nan 0.000 0.295 364 H C -0.741 174.294 175.328 -0.488 0.000 1.054 364 H CA -1.260 54.530 56.048 -0.430 0.000 1.156 364 H CB -0.518 28.999 29.762 -0.408 0.000 1.468 364 H HN -0.263 7.403 8.280 -0.864 0.096 0.551 365 F N 1.316 120.826 119.950 -0.734 0.000 2.425 365 F HA 0.415 nan 4.527 nan 0.000 0.331 365 F C -1.261 173.996 175.800 -0.905 0.000 1.085 365 F CA -3.746 53.601 58.000 -1.088 0.000 1.028 365 F CB -0.410 37.511 39.000 -1.799 0.000 1.177 365 F HN -0.697 7.143 8.300 -0.645 0.074 0.487 366 P HA -0.215 nan 4.420 nan 0.000 0.217 366 P C 0.103 177.374 177.300 -0.049 0.000 1.148 366 P CA 2.470 65.477 63.100 -0.155 0.000 0.828 366 P CB -0.007 31.732 31.700 0.065 0.000 0.783 367 W N -7.818 113.515 121.300 0.055 0.000 3.047 367 W HA 0.115 nan 4.660 nan 0.000 0.250 367 W C -0.359 176.294 176.519 0.224 0.000 1.314 367 W CA 0.206 57.605 57.345 0.090 0.000 1.540 367 W CB -1.388 28.088 29.460 0.026 0.000 1.127 367 W HN -0.361 7.308 8.180 -0.788 0.038 0.679 368 E N -2.645 117.565 120.200 0.016 0.000 2.479 368 E HA 0.144 nan 4.350 nan 0.000 0.193 368 E C 0.192 176.847 176.600 0.091 0.000 1.049 368 E CA -0.445 55.986 56.400 0.051 0.000 0.870 368 E CB 0.453 30.104 29.700 -0.082 0.000 0.944 368 E HN -0.226 7.807 8.360 -0.255 0.174 0.492 369 K N 0.727 121.236 120.400 0.181 0.000 2.326 369 K HA 0.044 nan 4.320 nan 0.000 0.275 369 K C -0.277 176.415 176.600 0.153 0.000 1.018 369 K CA 0.931 57.322 56.287 0.174 0.000 0.962 369 K CB 0.270 32.912 32.500 0.237 0.000 0.953 369 K HN -0.888 7.456 8.250 0.253 0.058 0.475 370 T N -0.621 113.968 114.554 0.059 0.000 3.258 370 T HA 0.382 nan 4.350 nan 0.000 0.259 370 T C 0.761 175.462 174.700 0.001 0.000 0.963 370 T CA -1.422 60.672 62.100 -0.009 0.000 0.919 370 T CB -0.525 68.326 68.868 -0.028 0.000 1.110 370 T HN 0.355 8.623 8.240 0.047 0.000 0.550 371 D N 1.914 122.350 120.400 0.060 0.000 2.182 371 D HA -0.336 nan 4.640 nan 0.000 0.201 371 D C 0.906 177.222 176.300 0.025 0.000 0.986 371 D CA 2.554 56.591 54.000 0.063 0.000 0.847 371 D CB -1.196 39.681 40.800 0.129 0.000 0.942 371 D HN 0.281 8.648 8.370 0.124 0.077 0.467 372 K N -1.423 118.979 120.400 0.004 0.000 2.444 372 K HA 0.079 nan 4.320 nan 0.000 0.193 372 K C 0.877 177.397 176.600 -0.133 0.000 1.024 372 K CA -0.479 55.771 56.287 -0.061 0.000 1.077 372 K CB -0.202 32.289 32.500 -0.014 0.000 0.833 372 K HN -0.645 7.692 8.250 0.008 -0.082 0.517 373 A N 0.336 123.099 122.820 -0.096 0.000 1.882 373 A HA -0.461 nan 4.320 nan 0.000 0.220 373 A C 1.794 179.303 177.584 -0.126 0.000 1.253 373 A CA 3.611 55.588 52.037 -0.100 0.000 0.664 373 A CB -0.893 18.068 19.000 -0.066 0.000 0.838 373 A HN -0.070 7.912 8.150 -0.068 0.127 0.460 374 Q N -1.737 117.999 119.800 -0.105 0.000 2.046 374 Q HA -0.256 nan 4.340 nan 0.000 0.200 374 Q C 2.168 178.076 176.000 -0.153 0.000 0.975 374 Q CA 2.676 58.419 55.803 -0.100 0.000 0.836 374 Q CB -0.625 28.076 28.738 -0.062 0.000 0.896 374 Q HN 0.163 8.384 8.270 -0.082 0.000 0.428 375 L N -1.375 119.718 121.223 -0.216 0.000 2.042 375 L HA -0.363 nan 4.340 nan 0.000 0.210 375 L C 2.269 178.792 176.870 -0.579 0.000 1.076 375 L CA 2.881 57.531 54.840 -0.317 0.000 0.749 375 L CB -0.562 41.289 42.059 -0.346 0.000 0.893 375 L HN -0.224 7.890 8.230 -0.192 0.000 0.432 376 L N -2.262 118.558 121.223 -0.671 0.000 2.046 376 L HA -0.454 nan 4.340 nan 0.000 0.208 376 L C 2.405 179.140 176.870 -0.225 0.000 1.077 376 L CA 2.951 57.468 54.840 -0.538 0.000 0.747 376 L CB -0.528 41.339 42.059 -0.321 0.000 0.896 376 L HN -0.155 7.748 8.230 -0.547 -0.001 0.432 377 R N -0.935 119.467 120.500 -0.163 0.000 2.080 377 R HA -0.419 nan 4.340 nan 0.000 0.236 377 R C 2.193 178.459 176.300 -0.057 0.000 1.137 377 R CA 2.835 58.883 56.100 -0.086 0.000 0.943 377 R CB -0.712 29.544 30.300 -0.073 0.000 0.846 377 R HN -0.325 7.747 8.270 -0.186 0.086 0.431 378 D N -0.725 119.637 120.400 -0.063 0.000 2.095 378 D HA -0.289 nan 4.640 nan 0.000 0.192 378 D C 2.442 178.751 176.300 0.016 0.000 0.990 378 D CA 3.049 57.037 54.000 -0.020 0.000 0.836 378 D CB -0.513 40.280 40.800 -0.012 0.000 0.979 378 D HN 0.060 8.372 8.370 -0.096 0.000 0.447 379 A N -1.410 121.440 122.820 0.050 0.000 2.024 379 A HA -0.194 nan 4.320 nan 0.000 0.220 379 A C 1.735 179.373 177.584 0.090 0.000 1.164 379 A CA 2.442 54.554 52.037 0.124 0.000 0.643 379 A CB -0.469 18.724 19.000 0.323 0.000 0.806 379 A HN -0.404 7.760 8.150 0.024 0.000 0.451 380 A N -2.590 120.260 122.820 0.051 0.000 3.019 380 A HA 0.040 nan 4.320 nan 0.000 0.262 380 A C -1.251 176.344 177.584 0.019 0.000 1.509 380 A CA -1.488 50.572 52.037 0.038 0.000 1.159 380 A CB -1.592 17.421 19.000 0.021 0.000 1.042 380 A HN -0.474 7.589 8.150 0.016 0.097 0.641 381 G N -1.138 107.675 108.800 0.021 0.000 2.487 381 G HA2 -0.398 nan 3.960 nan 0.000 0.243 381 G HA3 -0.398 nan 3.960 nan 0.000 0.243 381 G C -0.812 174.090 174.900 0.004 0.000 0.918 381 G CA -0.195 44.913 45.100 0.013 0.000 1.260 381 G HN -0.558 7.650 8.290 0.032 0.101 0.408 382 L N 1.727 122.951 121.223 0.002 0.000 2.628 382 L HA -0.296 nan 4.340 nan 0.000 0.292 382 L C -1.323 175.545 176.870 -0.005 0.000 1.250 382 L CA 1.728 56.566 54.840 -0.005 0.000 0.892 382 L CB 0.571 42.628 42.059 -0.003 0.000 1.138 382 L HN -0.496 7.738 8.230 0.007 0.000 0.502 383 K N 0.000 120.395 120.400 -0.009 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 383 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 383 K HN 0.000 8.242 8.250 -0.013 0.000 0.543