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 1icp_1_A DATA FIRST_RESID 10 DATA SEQUENCE QVDKIPLMSP CKMGKFELCH RVVLAPLTRQ RSYGYIPQPH AILHYSQRST DATA SEQUENCE NGGLLIGEAT VISETGIGYK DVPGIWTKEQ VEAWKPIVDA VHAKGGIFFC DATA SEQUENCE QIWHVGRVSN KDFQPNGEDP ISCTDRGLTP QIMSNGIDIA HFTRPRRLTT DATA SEQUENCE DEIPQIVNEF RVAARNAIEA GFDGVEIHGA HGYLIDQFMK DQVNDRSDKY DATA SEQUENCE GGSLENRCRF ALEIVEAVAN EIGSDRVGIR ISPFAHYNEA GDTNPTALGL DATA SEQUENCE YMVESLNKYD LAYCHVVEPR MKTXXXXXXC TESLVPMRKA YKGTFIVAGG DATA SEQUENCE YDREDGNRAL IEDRADLVAY GRLFISNPDL PKRFELNAPL NKYNRDTFYT DATA SEQUENCE SDPIVGYTDY PFLE 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 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 10 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 10 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 11 V N 0.964 120.876 119.914 -0.004 0.000 2.617 11 V HA 0.574 4.277 4.120 -0.694 0.000 0.298 11 V C -0.824 175.267 176.094 -0.005 0.000 1.048 11 V CA -0.283 62.013 62.300 -0.005 0.000 0.964 11 V CB 1.582 33.401 31.823 -0.006 0.000 1.004 11 V HN 0.916 nan 8.190 nan 0.000 0.466 12 D N 4.675 125.070 120.400 -0.007 0.000 2.455 12 D HA 0.145 4.369 4.640 -0.694 0.000 0.241 12 D C 0.164 176.460 176.300 -0.007 0.000 1.138 12 D CA 0.450 54.446 54.000 -0.007 0.000 0.877 12 D CB 0.525 41.320 40.800 -0.009 0.000 1.187 12 D HN 0.501 nan 8.370 nan 0.000 0.451 13 K N 1.391 121.788 120.400 -0.003 0.000 2.380 13 K HA 0.294 4.198 4.320 -0.694 0.000 0.267 13 K C 0.408 177.005 176.600 -0.005 0.000 0.990 13 K CA -0.046 56.240 56.287 -0.001 0.000 0.946 13 K CB 0.579 33.081 32.500 0.005 0.000 0.937 13 K HN 0.467 nan 8.250 nan 0.000 0.491 14 I N -1.142 119.425 120.570 -0.005 0.000 2.785 14 I HA 0.335 4.088 4.170 -0.694 0.000 0.302 14 I C -2.334 173.784 176.117 0.002 0.000 1.069 14 I CA -2.870 58.423 61.300 -0.012 0.000 1.045 14 I CB 2.044 40.023 38.000 -0.035 0.000 1.236 14 I HN 0.275 nan 8.210 nan 0.000 0.429 15 P HA -0.089 nan 4.420 nan 0.000 0.217 15 P C 1.676 178.994 177.300 0.030 0.000 1.148 15 P CA 1.243 64.353 63.100 0.016 0.000 0.828 15 P CB 0.172 31.879 31.700 0.012 0.000 0.783 16 L N -1.985 119.253 121.223 0.024 0.000 2.261 16 L HA -0.122 3.801 4.340 -0.694 0.000 0.216 16 L C 1.991 178.919 176.870 0.096 0.000 1.114 16 L CA 1.031 55.908 54.840 0.061 0.000 0.777 16 L CB -0.544 41.539 42.059 0.041 0.000 0.910 16 L HN 0.035 nan 8.230 nan 0.000 0.440 17 M N -1.276 118.364 119.600 0.068 0.000 2.495 17 M HA 0.102 4.165 4.480 -0.694 0.000 0.237 17 M C 0.695 177.055 176.300 0.102 0.000 1.131 17 M CA 0.301 55.652 55.300 0.085 0.000 1.032 17 M CB -0.355 32.267 32.600 0.036 0.000 1.513 17 M HN -0.030 nan 8.290 nan 0.000 0.488 18 S N 1.894 117.642 115.700 0.080 0.000 2.548 18 S HA 0.279 4.332 4.470 -0.694 0.000 0.277 18 S C -2.174 172.467 174.600 0.068 0.000 1.315 18 S CA -0.870 57.368 58.200 0.063 0.000 1.050 18 S CB 0.524 63.750 63.200 0.043 0.000 0.918 18 S HN 0.111 nan 8.310 nan 0.000 0.497 19 P HA 0.187 nan 4.420 nan 0.000 0.270 19 P C -0.759 176.559 177.300 0.030 0.000 1.223 19 P CA -0.296 62.829 63.100 0.041 0.000 0.785 19 P CB 0.428 32.150 31.700 0.037 0.000 0.923 20 C N 2.743 122.055 119.300 0.020 0.000 2.782 20 C HA 0.407 4.451 4.460 -0.694 0.000 0.328 20 C C -1.393 173.617 174.990 0.034 0.000 1.145 20 C CA -0.795 58.236 59.018 0.022 0.000 1.358 20 C CB 0.949 28.694 27.740 0.009 0.000 1.841 20 C HN 0.421 nan 8.230 nan 0.000 0.477 21 K N 5.569 125.995 120.400 0.044 0.000 2.227 21 K HA 0.462 4.365 4.320 -0.694 0.000 0.280 21 K C -0.502 176.148 176.600 0.084 0.000 1.041 21 K CA -0.131 56.193 56.287 0.062 0.000 0.905 21 K CB 1.351 33.879 32.500 0.046 0.000 1.068 21 K HN 0.884 nan 8.250 nan 0.000 0.470 22 M N 2.146 121.825 119.600 0.132 0.000 2.124 22 M HA 0.296 4.360 4.480 -0.694 0.000 0.280 22 M C 0.263 176.721 176.300 0.263 0.000 0.954 22 M CA 0.301 55.708 55.300 0.178 0.000 0.958 22 M CB 1.242 33.936 32.600 0.157 0.000 1.611 22 M HN 0.862 nan 8.290 nan 0.000 0.449 23 G N 5.414 114.332 108.800 0.197 0.000 2.596 23 G HA2 -0.375 3.169 3.960 -0.694 0.000 0.304 23 G HA3 -0.375 3.169 3.960 -0.694 0.000 0.304 23 G C 0.112 175.030 174.900 0.030 0.000 1.189 23 G CA 0.776 45.974 45.100 0.163 0.000 0.986 23 G HN 0.928 nan 8.290 nan 0.000 0.548 24 K N 0.106 120.408 120.400 -0.163 0.000 2.387 24 K HA 0.493 4.396 4.320 -0.694 0.000 0.198 24 K C 0.066 176.386 176.600 -0.466 0.000 1.022 24 K CA -0.077 55.994 56.287 -0.360 0.000 1.128 24 K CB 0.239 32.438 32.500 -0.502 0.000 0.853 24 K HN 0.279 nan 8.250 nan 0.000 0.523 25 F N 1.900 121.900 119.950 0.084 0.000 2.425 25 F HA 0.315 4.431 4.527 -0.686 0.000 0.331 25 F C 0.436 176.259 175.800 0.038 0.000 1.085 25 F CA -1.163 56.879 58.000 0.071 0.000 1.028 25 F CB 1.177 40.238 39.000 0.101 0.000 1.177 25 F HN -0.127 nan 8.300 nan 0.000 0.487 26 E N 3.971 124.297 120.200 0.209 0.000 2.070 26 E HA 0.311 4.245 4.350 -0.694 0.000 0.261 26 E C -0.617 176.035 176.600 0.088 0.000 0.926 26 E CA -0.251 56.216 56.400 0.112 0.000 0.760 26 E CB 1.185 30.928 29.700 0.071 0.000 1.133 26 E HN 0.520 nan 8.360 nan 0.000 0.420 27 L N 0.891 122.144 121.223 0.049 0.000 2.418 27 L HA 0.223 4.147 4.340 -0.694 0.000 0.265 27 L C 1.125 177.970 176.870 -0.041 0.000 1.143 27 L CA -0.600 54.218 54.840 -0.037 0.000 0.809 27 L CB 0.914 42.917 42.059 -0.093 0.000 1.124 27 L HN 0.543 nan 8.230 nan 0.000 0.456 28 C N -0.341 118.905 119.300 -0.090 0.000 2.780 28 C HA 0.170 4.214 4.460 -0.694 0.000 0.267 28 C C 0.499 175.534 174.990 0.074 0.000 1.266 28 C CA -0.172 58.848 59.018 0.003 0.000 1.709 28 C CB -1.429 26.346 27.740 0.058 0.000 1.975 28 C HN 0.954 nan 8.230 nan 0.000 0.582 29 H N -3.427 115.661 119.070 0.029 0.000 2.932 29 H HA 0.480 4.618 4.556 -0.696 0.000 0.307 29 H C -0.195 175.148 175.328 0.025 0.000 1.391 29 H CA -0.871 55.195 56.048 0.029 0.000 1.130 29 H CB 0.385 30.168 29.762 0.034 0.000 1.836 29 H HN -0.190 nan 8.280 nan 0.000 0.522 30 R N 0.360 121.002 120.500 0.237 0.000 2.509 30 R HA 0.343 4.267 4.340 -0.694 0.000 0.300 30 R C -0.648 175.782 176.300 0.217 0.000 0.985 30 R CA -0.120 56.061 56.100 0.134 0.000 1.092 30 R CB 0.923 31.267 30.300 0.072 0.000 1.237 30 R HN 0.275 nan 8.270 nan 0.000 0.546 31 V N 2.159 122.328 119.914 0.424 0.000 2.353 31 V HA 0.167 3.871 4.120 -0.694 0.000 0.264 31 V C 0.136 176.472 176.094 0.403 0.000 1.049 31 V CA -0.429 62.105 62.300 0.391 0.000 0.896 31 V CB 1.289 33.215 31.823 0.171 0.000 1.025 31 V HN -0.084 nan 8.190 nan 0.000 0.475 32 V N 6.224 126.326 119.914 0.312 0.000 2.532 32 V HA 0.375 4.079 4.120 -0.694 0.000 0.295 32 V C -0.024 176.243 176.094 0.288 0.000 1.041 32 V CA -0.761 61.640 62.300 0.169 0.000 0.926 32 V CB 1.830 33.588 31.823 -0.109 0.000 0.992 32 V HN 0.700 nan 8.190 nan 0.000 0.457 33 L N 5.192 126.464 121.223 0.081 0.000 2.315 33 L HA 0.641 4.565 4.340 -0.694 0.000 0.283 33 L C 0.613 177.459 176.870 -0.040 0.000 1.089 33 L CA 0.357 55.077 54.840 -0.200 0.000 0.833 33 L CB 0.232 41.901 42.059 -0.652 0.000 1.170 33 L HN 0.799 nan 8.230 nan 0.000 0.442 34 A N 6.840 129.685 122.820 0.041 0.000 2.366 34 A HA 0.578 4.482 4.320 -0.694 0.000 0.249 34 A C -2.345 175.252 177.584 0.023 0.000 1.084 34 A CA -1.147 50.922 52.037 0.054 0.000 0.794 34 A CB -0.603 18.431 19.000 0.056 0.000 1.034 34 A HN 0.702 nan 8.150 nan 0.000 0.491 35 P HA 0.369 nan 4.420 nan 0.000 0.271 35 P C -1.179 176.096 177.300 -0.042 0.000 1.226 35 P CA 0.477 63.576 63.100 -0.002 0.000 0.765 35 P CB 0.286 31.931 31.700 -0.092 0.000 0.835 36 L N 3.036 124.254 121.223 -0.008 0.000 2.457 36 L HA 0.281 4.204 4.340 -0.694 0.000 0.266 36 L C 0.145 177.000 176.870 -0.026 0.000 0.979 36 L CA -0.437 54.364 54.840 -0.066 0.000 0.857 36 L CB 1.610 43.597 42.059 -0.119 0.000 1.213 36 L HN 0.171 nan 8.230 nan 0.000 0.418 37 T N 3.030 117.563 114.554 -0.035 0.000 2.817 37 T HA 0.138 4.072 4.350 -0.694 0.000 0.295 37 T C 1.029 175.781 174.700 0.087 0.000 0.958 37 T CA -0.110 62.005 62.100 0.026 0.000 1.157 37 T CB 0.473 69.324 68.868 -0.028 0.000 0.898 37 T HN 0.405 nan 8.240 nan 0.000 0.536 38 R N 1.971 122.509 120.500 0.064 0.000 2.476 38 R HA 0.142 4.066 4.340 -0.694 0.000 0.276 38 R C 0.591 176.913 176.300 0.036 0.000 0.941 38 R CA -0.145 55.956 56.100 0.002 0.000 1.088 38 R CB 0.037 30.274 30.300 -0.104 0.000 1.216 38 R HN 0.751 nan 8.270 nan 0.000 0.533 39 Q N 0.867 120.732 119.800 0.108 0.000 2.439 39 Q HA -0.223 3.701 4.340 -0.694 0.000 0.325 39 Q C -0.132 175.889 176.000 0.036 0.000 1.372 39 Q CA 0.738 56.618 55.803 0.127 0.000 0.909 39 Q CB -1.099 27.769 28.738 0.217 0.000 1.167 39 Q HN 0.278 nan 8.270 nan 0.000 0.418 40 R N -0.674 119.762 120.500 -0.106 0.000 2.629 40 R HA 0.165 4.089 4.340 -0.694 0.000 0.408 40 R C -0.339 175.710 176.300 -0.419 0.000 1.057 40 R CA -0.108 55.846 56.100 -0.244 0.000 1.119 40 R CB 1.042 31.052 30.300 -0.484 0.000 1.403 40 R HN -0.062 nan 8.270 nan 0.000 0.576 41 S N 1.606 117.161 115.700 -0.242 0.000 3.158 41 S HA 0.232 4.286 4.470 -0.694 0.000 0.215 41 S C -0.388 174.115 174.600 -0.161 0.000 1.359 41 S CA -0.596 57.441 58.200 -0.271 0.000 0.974 41 S CB -0.229 62.899 63.200 -0.121 0.000 1.336 41 S HN 0.216 nan 8.310 nan 0.000 0.488 42 Y N 0.893 121.163 120.300 -0.050 0.000 2.895 42 Y HA 0.073 4.208 4.550 -0.690 0.000 0.334 42 Y C 1.691 177.503 175.900 -0.147 0.000 1.261 42 Y CA 0.301 58.346 58.100 -0.091 0.000 1.560 42 Y CB -0.008 38.427 38.460 -0.041 0.000 1.253 42 Y HN 0.749 nan 8.280 nan 0.000 0.582 43 G N 2.474 111.214 108.800 -0.101 0.000 2.203 43 G HA2 -0.385 3.158 3.960 -0.694 0.000 0.263 43 G HA3 -0.385 3.158 3.960 -0.694 0.000 0.263 43 G C -0.193 174.629 174.900 -0.131 0.000 1.012 43 G CA 0.278 45.267 45.100 -0.186 0.000 0.749 43 G HN 0.935 nan 8.290 nan 0.000 0.512 44 Y N -3.444 116.904 120.300 0.079 0.000 4.409 44 Y HA -0.212 3.920 4.550 -0.698 0.000 0.228 44 Y C 1.054 176.900 175.900 -0.089 0.000 1.108 44 Y CA 0.791 58.916 58.100 0.041 0.000 1.955 44 Y CB -2.300 36.225 38.460 0.108 0.000 1.615 44 Y HN 0.560 nan 8.280 nan 0.000 0.665 45 I N 1.345 121.891 120.570 -0.039 0.000 2.433 45 I HA 0.358 4.112 4.170 -0.694 0.000 0.292 45 I C -2.240 173.710 176.117 -0.278 0.000 1.001 45 I CA -2.192 59.013 61.300 -0.158 0.000 1.119 45 I CB 2.095 40.022 38.000 -0.121 0.000 1.289 45 I HN -0.321 nan 8.210 nan 0.000 0.438 46 P HA 0.011 nan 4.420 nan 0.000 0.266 46 P C -1.013 176.008 177.300 -0.465 0.000 1.195 46 P CA -0.025 62.689 63.100 -0.643 0.000 0.768 46 P CB 0.433 31.432 31.700 -1.168 0.000 0.838 47 Q N 4.002 123.491 119.800 -0.517 0.000 2.297 47 Q HA 0.289 4.213 4.340 -0.694 0.000 0.269 47 Q C -1.744 173.950 176.000 -0.509 0.000 1.051 47 Q CA -2.056 53.400 55.803 -0.579 0.000 0.869 47 Q CB 0.121 28.261 28.738 -0.997 0.000 1.346 47 Q HN 0.202 nan 8.270 nan 0.000 0.457 48 P HA -0.195 nan 4.420 nan 0.000 0.216 48 P C 0.764 178.024 177.300 -0.068 0.000 1.153 48 P CA 1.785 64.802 63.100 -0.138 0.000 0.858 48 P CB 0.014 31.696 31.700 -0.030 0.000 0.789 49 H N -1.328 117.785 119.070 0.072 0.000 2.489 49 H HA 0.079 4.218 4.556 -0.696 0.000 0.293 49 H C 1.736 177.222 175.328 0.263 0.000 1.066 49 H CA 1.073 57.219 56.048 0.163 0.000 1.305 49 H CB -1.232 28.647 29.762 0.196 0.000 1.386 49 H HN 0.055 nan 8.280 nan 0.000 0.551 50 A N 1.409 124.319 122.820 0.150 0.000 2.014 50 A HA -0.001 3.903 4.320 -0.694 0.000 0.218 50 A C 2.295 180.070 177.584 0.319 0.000 1.163 50 A CA 1.068 53.301 52.037 0.326 0.000 0.652 50 A CB -0.678 18.478 19.000 0.260 0.000 0.808 50 A HN 0.455 nan 8.150 nan 0.000 0.449 51 I N -0.853 119.823 120.570 0.176 0.000 2.163 51 I HA -0.258 3.495 4.170 -0.694 0.000 0.243 51 I C 2.445 178.638 176.117 0.126 0.000 1.085 51 I CA 1.385 62.772 61.300 0.145 0.000 1.347 51 I CB -0.322 37.722 38.000 0.073 0.000 1.044 51 I HN 0.402 nan 8.210 nan 0.000 0.408 52 L N 0.446 121.737 121.223 0.113 0.000 2.027 52 L HA -0.240 3.684 4.340 -0.694 0.000 0.206 52 L C 2.599 179.470 176.870 0.002 0.000 1.074 52 L CA 2.039 56.921 54.840 0.071 0.000 0.745 52 L CB -0.958 41.155 42.059 0.090 0.000 0.898 52 L HN 0.234 nan 8.230 nan 0.000 0.433 53 H N -1.546 117.433 119.070 -0.152 0.000 2.265 53 H HA -0.271 3.865 4.556 -0.699 0.000 0.295 53 H C 2.001 177.118 175.328 -0.351 0.000 1.084 53 H CA 2.769 58.556 56.048 -0.436 0.000 1.261 53 H CB -0.449 28.770 29.762 -0.906 0.000 1.360 53 H HN 0.438 nan 8.280 nan 0.000 0.487 54 Y N -0.392 119.846 120.300 -0.104 0.000 2.242 54 Y HA -0.180 3.943 4.550 -0.710 0.000 0.291 54 Y C 3.218 178.969 175.900 -0.248 0.000 1.137 54 Y CA 1.380 59.353 58.100 -0.212 0.000 1.181 54 Y CB -0.738 37.636 38.460 -0.144 0.000 0.989 54 Y HN 0.292 nan 8.280 nan 0.000 0.527 55 S N -0.147 115.548 115.700 -0.008 0.000 2.368 55 S HA -0.255 3.799 4.470 -0.694 0.000 0.225 55 S C 1.915 176.510 174.600 -0.009 0.000 1.030 55 S CA 1.587 59.775 58.200 -0.020 0.000 0.999 55 S CB -0.265 62.942 63.200 0.011 0.000 0.844 55 S HN 0.566 nan 8.310 nan 0.000 0.459 56 Q N -0.144 119.648 119.800 -0.013 0.000 2.181 56 Q HA -0.044 3.879 4.340 -0.694 0.000 0.205 56 Q C 1.957 177.992 176.000 0.059 0.000 0.980 56 Q CA 1.228 57.111 55.803 0.134 0.000 0.862 56 Q CB -0.111 28.657 28.738 0.050 0.000 0.905 56 Q HN 0.503 nan 8.270 nan 0.000 0.429 57 R N -0.204 120.219 120.500 -0.128 0.000 2.334 57 R HA 0.171 4.095 4.340 -0.694 0.000 0.216 57 R C 0.001 176.275 176.300 -0.044 0.000 0.905 57 R CA -0.199 55.836 56.100 -0.108 0.000 1.064 57 R CB 0.796 30.852 30.300 -0.408 0.000 1.046 57 R HN -0.061 nan 8.270 nan 0.000 0.508 58 S N 0.835 116.513 115.700 -0.036 0.000 2.565 58 S HA 0.279 4.333 4.470 -0.694 0.000 0.274 58 S C 0.259 174.892 174.600 0.056 0.000 1.309 58 S CA -0.428 57.758 58.200 -0.024 0.000 1.043 58 S CB 1.534 64.694 63.200 -0.067 0.000 0.939 58 S HN 0.277 nan 8.310 nan 0.000 0.504 59 T N -0.406 114.203 114.554 0.092 0.000 2.896 59 T HA 0.465 4.399 4.350 -0.694 0.000 0.297 59 T C -0.626 174.139 174.700 0.109 0.000 1.108 59 T CA -1.098 61.083 62.100 0.135 0.000 1.004 59 T CB 0.946 69.969 68.868 0.258 0.000 1.159 59 T HN 0.371 nan 8.240 nan 0.000 0.499 60 N N 0.357 119.117 118.700 0.099 0.000 2.452 60 N HA 0.402 4.725 4.740 -0.694 0.000 0.266 60 N C 1.466 177.011 175.510 0.059 0.000 1.209 60 N CA 1.571 54.664 53.050 0.073 0.000 0.929 60 N CB -0.282 38.243 38.487 0.064 0.000 1.063 60 N HN 1.330 nan 8.380 nan 0.000 0.472 61 G N 1.885 110.699 108.800 0.023 0.000 2.148 61 G HA2 -0.183 3.360 3.960 -0.694 0.000 0.254 61 G HA3 -0.183 3.360 3.960 -0.694 0.000 0.254 61 G C 0.389 175.180 174.900 -0.182 0.000 0.981 61 G CA 0.124 45.205 45.100 -0.032 0.000 0.670 61 G HN 0.895 nan 8.290 nan 0.000 0.528 62 G N -0.685 108.018 108.800 -0.162 0.000 2.377 62 G HA2 0.666 4.209 3.960 -0.694 0.000 0.299 62 G HA3 0.666 4.209 3.960 -0.694 0.000 0.299 62 G C -0.254 174.555 174.900 -0.152 0.000 1.150 62 G CA -0.471 44.454 45.100 -0.292 0.000 0.847 62 G HN 0.929 nan 8.290 nan 0.000 0.501 63 L N 2.210 123.326 121.223 -0.178 0.000 2.276 63 L HA 0.628 4.552 4.340 -0.694 0.000 0.286 63 L C -0.911 175.904 176.870 -0.092 0.000 1.061 63 L CA -0.549 54.194 54.840 -0.162 0.000 0.807 63 L CB 1.039 42.936 42.059 -0.270 0.000 1.177 63 L HN 0.253 nan 8.230 nan 0.000 0.429 64 L N 6.627 127.832 121.223 -0.030 0.000 2.341 64 L HA 0.545 4.469 4.340 -0.694 0.000 0.278 64 L C -0.485 176.524 176.870 0.233 0.000 1.005 64 L CA -0.064 54.789 54.840 0.023 0.000 0.818 64 L CB 1.726 43.717 42.059 -0.113 0.000 1.259 64 L HN 0.470 nan 8.230 nan 0.000 0.418 65 I N 2.238 122.916 120.570 0.179 0.000 2.362 65 I HA 0.491 4.244 4.170 -0.694 0.000 0.289 65 I C 0.879 177.169 176.117 0.288 0.000 0.994 65 I CA -0.511 60.917 61.300 0.214 0.000 1.158 65 I CB 1.662 39.729 38.000 0.111 0.000 1.315 65 I HN 0.700 nan 8.210 nan 0.000 0.451 66 G N 4.803 113.762 108.800 0.265 0.000 2.606 66 G HA2 0.192 3.736 3.960 -0.694 0.000 0.252 66 G HA3 0.192 3.736 3.960 -0.694 0.000 0.252 66 G C -0.007 175.023 174.900 0.217 0.000 1.206 66 G CA -0.492 44.793 45.100 0.308 0.000 0.861 66 G HN 0.767 nan 8.290 nan 0.000 0.561 67 E N -0.086 120.332 120.200 0.363 0.000 2.436 67 E HA 0.329 4.262 4.350 -0.694 0.000 0.262 67 E C 0.454 177.106 176.600 0.086 0.000 1.063 67 E CA -0.166 56.352 56.400 0.197 0.000 0.944 67 E CB 0.507 30.371 29.700 0.272 0.000 0.950 67 E HN 0.540 nan 8.360 nan 0.000 0.444 68 A N 3.086 125.833 122.820 -0.122 0.000 2.580 68 A HA 0.078 3.982 4.320 -0.694 0.000 0.244 68 A C -0.112 177.592 177.584 0.200 0.000 1.045 68 A CA 0.360 52.266 52.037 -0.219 0.000 0.761 68 A CB -0.197 18.067 19.000 -1.226 0.000 0.962 68 A HN 0.573 nan 8.150 nan 0.000 0.512 69 T N 3.305 118.055 114.554 0.326 0.000 2.786 69 T HA 0.408 4.341 4.350 -0.694 0.000 0.283 69 T C -0.013 174.935 174.700 0.413 0.000 0.992 69 T CA -0.453 61.888 62.100 0.402 0.000 0.954 69 T CB 1.119 70.107 68.868 0.200 0.000 0.934 69 T HN 0.474 nan 8.240 nan 0.000 0.440 70 V N 5.444 125.607 119.914 0.415 0.000 2.540 70 V HA 0.051 3.755 4.120 -0.694 0.000 0.297 70 V C 1.856 178.074 176.094 0.207 0.000 1.024 70 V CA 0.172 62.582 62.300 0.184 0.000 1.105 70 V CB -0.047 31.830 31.823 0.090 0.000 0.938 70 V HN 0.919 nan 8.190 nan 0.000 0.482 71 I N 2.217 122.771 120.570 -0.028 0.000 3.059 71 I HA 0.185 3.939 4.170 -0.694 0.000 0.270 71 I C 0.836 176.910 176.117 -0.072 0.000 1.238 71 I CA 0.627 61.895 61.300 -0.053 0.000 1.478 71 I CB 0.097 37.889 38.000 -0.347 0.000 1.097 71 I HN 0.705 nan 8.210 nan 0.000 0.455 72 S N -0.727 114.745 115.700 -0.381 0.000 2.636 72 S HA 0.278 4.332 4.470 -0.694 0.000 0.266 72 S C 0.179 173.905 174.600 -1.457 0.000 1.147 72 S CA -0.741 56.905 58.200 -0.923 0.000 0.815 72 S CB 1.314 64.216 63.200 -0.497 0.000 1.119 72 S HN 0.224 nan 8.310 nan 0.000 0.470 73 E N 0.780 120.068 120.200 -1.520 0.000 2.118 73 E HA -0.138 3.796 4.350 -0.694 0.000 0.195 73 E C 1.778 177.998 176.600 -0.634 0.000 0.992 73 E CA 1.891 57.669 56.400 -1.037 0.000 0.804 73 E CB -0.417 28.930 29.700 -0.588 0.000 0.741 73 E HN 0.846 nan 8.360 nan 0.000 0.458 74 T N -2.494 111.768 114.554 -0.488 0.000 3.085 74 T HA 0.016 3.949 4.350 -0.694 0.000 0.263 74 T C 1.701 176.037 174.700 -0.606 0.000 1.127 74 T CA 0.712 62.618 62.100 -0.323 0.000 1.103 74 T CB 0.149 68.981 68.868 -0.059 0.000 0.921 74 T HN 0.141 nan 8.240 nan 0.000 0.510 75 G N 0.920 109.108 108.800 -1.020 0.000 3.088 75 G HA2 0.348 3.892 3.960 -0.694 0.000 0.212 75 G HA3 0.348 3.892 3.960 -0.694 0.000 0.212 75 G C 0.354 174.666 174.900 -0.979 0.000 1.173 75 G CA -0.515 43.688 45.100 -1.496 0.000 0.779 75 G HN 0.565 nan 8.290 nan 0.000 0.540 76 I N 0.921 121.052 120.570 -0.733 0.000 2.441 76 I HA 0.394 4.147 4.170 -0.694 0.000 0.287 76 I C 1.217 176.909 176.117 -0.708 0.000 1.049 76 I CA 0.006 60.907 61.300 -0.664 0.000 1.381 76 I CB 1.742 39.393 38.000 -0.582 0.000 1.409 76 I HN 0.045 nan 8.210 nan 0.000 0.523 77 G N 5.581 113.872 108.800 -0.848 0.000 3.738 77 G HA2 0.270 3.814 3.960 -0.694 0.000 0.241 77 G HA3 0.270 3.814 3.960 -0.694 0.000 0.241 77 G C -0.378 173.574 174.900 -1.580 0.000 1.068 77 G CA 0.124 44.584 45.100 -1.067 0.000 0.899 77 G HN 0.500 nan 8.290 nan 0.000 0.519 78 Y N -0.039 119.746 120.300 -0.858 0.000 2.571 78 Y HA 0.490 4.630 4.550 -0.683 0.000 0.341 78 Y C 0.016 175.901 175.900 -0.025 0.000 1.076 78 Y CA -1.280 56.621 58.100 -0.332 0.000 1.029 78 Y CB 1.445 39.927 38.460 0.036 0.000 1.308 78 Y HN -0.243 nan 8.280 nan 0.000 0.461 79 K N 1.482 122.143 120.400 0.436 0.000 2.237 79 K HA 0.124 4.027 4.320 -0.694 0.000 0.270 79 K C -0.639 176.138 176.600 0.295 0.000 1.015 79 K CA -0.008 56.537 56.287 0.430 0.000 0.949 79 K CB 0.262 32.967 32.500 0.341 0.000 0.976 79 K HN 0.723 nan 8.250 nan 0.000 0.472 80 D N -0.024 120.450 120.400 0.124 0.000 2.837 80 D HA -0.143 4.080 4.640 -0.694 0.000 0.230 80 D C -0.228 176.186 176.300 0.190 0.000 1.152 80 D CA 0.933 54.987 54.000 0.090 0.000 0.736 80 D CB -1.605 39.287 40.800 0.153 0.000 1.084 80 D HN 0.309 nan 8.370 nan 0.000 0.429 81 V N -2.587 117.545 119.914 0.363 0.000 2.532 81 V HA 0.728 4.431 4.120 -0.694 0.000 0.295 81 V C -2.084 174.248 176.094 0.397 0.000 1.041 81 V CA -1.699 60.828 62.300 0.379 0.000 0.926 81 V CB 1.924 34.054 31.823 0.511 0.000 0.992 81 V HN -0.181 nan 8.190 nan 0.000 0.457 82 P HA 0.446 nan 4.420 nan 0.000 0.277 82 P C -0.027 177.490 177.300 0.362 0.000 1.240 82 P CA 0.316 63.565 63.100 0.248 0.000 0.798 82 P CB 1.657 33.433 31.700 0.127 0.000 0.979 83 G N 0.462 109.406 108.800 0.239 0.000 2.788 83 G HA2 0.620 4.164 3.960 -0.694 0.000 0.293 83 G HA3 0.620 4.164 3.960 -0.694 0.000 0.293 83 G C -0.836 174.191 174.900 0.211 0.000 1.305 83 G CA -0.823 44.424 45.100 0.245 0.000 1.005 83 G HN 0.557 nan 8.290 nan 0.000 0.496 84 I N -0.139 120.554 120.570 0.205 0.000 3.013 84 I HA 0.224 3.977 4.170 -0.694 0.000 0.321 84 I C 0.313 176.512 176.117 0.136 0.000 1.497 84 I CA -0.541 60.861 61.300 0.170 0.000 0.862 84 I CB 0.100 38.188 38.000 0.146 0.000 1.654 84 I HN 0.711 nan 8.210 nan 0.000 0.609 85 W N 1.315 122.648 121.300 0.055 0.000 3.177 85 W HA 0.398 4.636 4.660 -0.705 0.000 0.309 85 W C 0.565 177.104 176.519 0.032 0.000 1.224 85 W CA 0.453 57.808 57.345 0.017 0.000 1.718 85 W CB -0.578 28.870 29.460 -0.021 0.000 1.078 85 W HN 0.153 nan 8.180 nan 0.000 0.618 86 T N -2.115 112.209 114.554 -0.383 0.000 2.950 86 T HA 0.376 4.310 4.350 -0.694 0.000 0.288 86 T C 0.784 175.421 174.700 -0.106 0.000 1.035 86 T CA -0.733 61.231 62.100 -0.226 0.000 1.028 86 T CB 2.559 71.214 68.868 -0.354 0.000 1.109 86 T HN 0.027 nan 8.240 nan 0.000 0.514 87 K N 0.228 120.602 120.400 -0.043 0.000 2.057 87 K HA -0.146 3.757 4.320 -0.694 0.000 0.207 87 K C 2.161 178.745 176.600 -0.026 0.000 1.049 87 K CA 1.679 57.958 56.287 -0.013 0.000 0.931 87 K CB -0.147 32.354 32.500 0.002 0.000 0.714 87 K HN 0.864 nan 8.250 nan 0.000 0.440 88 E N 1.161 121.327 120.200 -0.057 0.000 2.085 88 E HA -0.265 3.669 4.350 -0.694 0.000 0.194 88 E C 1.906 178.458 176.600 -0.080 0.000 0.994 88 E CA 1.483 57.844 56.400 -0.064 0.000 0.801 88 E CB 0.130 29.784 29.700 -0.077 0.000 0.743 88 E HN 0.329 nan 8.360 nan 0.000 0.453 89 Q N -0.150 119.579 119.800 -0.118 0.000 2.079 89 Q HA -0.108 3.815 4.340 -0.694 0.000 0.200 89 Q C 2.384 178.448 176.000 0.105 0.000 0.974 89 Q CA 1.435 57.183 55.803 -0.092 0.000 0.840 89 Q CB 0.073 28.714 28.738 -0.161 0.000 0.898 89 Q HN 0.187 nan 8.270 nan 0.000 0.430 90 V N 1.550 121.539 119.914 0.124 0.000 2.287 90 V HA -0.255 3.448 4.120 -0.694 0.000 0.248 90 V C 2.175 178.363 176.094 0.158 0.000 1.053 90 V CA 1.817 64.234 62.300 0.195 0.000 1.027 90 V CB -0.443 31.441 31.823 0.102 0.000 0.646 90 V HN 0.343 nan 8.190 nan 0.000 0.447 91 E N 0.126 120.367 120.200 0.068 0.000 2.110 91 E HA -0.155 3.778 4.350 -0.694 0.000 0.193 91 E C 2.290 178.905 176.600 0.025 0.000 0.988 91 E CA 1.436 57.860 56.400 0.040 0.000 0.804 91 E CB -0.455 29.252 29.700 0.012 0.000 0.745 91 E HN 0.593 nan 8.360 nan 0.000 0.458 92 A N -0.274 122.535 122.820 -0.019 0.000 2.014 92 A HA -0.118 3.786 4.320 -0.694 0.000 0.218 92 A C 1.952 179.479 177.584 -0.095 0.000 1.163 92 A CA 0.656 52.631 52.037 -0.103 0.000 0.652 92 A CB -0.865 18.009 19.000 -0.210 0.000 0.808 92 A HN 0.297 nan 8.150 nan 0.000 0.449 93 W N 0.345 121.626 121.300 -0.032 0.000 2.436 93 W HA -0.030 4.211 4.660 -0.697 0.000 0.284 93 W C 2.215 178.657 176.519 -0.127 0.000 1.225 93 W CA 1.085 58.401 57.345 -0.048 0.000 1.271 93 W CB 0.115 29.586 29.460 0.017 0.000 1.114 93 W HN 0.228 nan 8.180 nan 0.000 0.559 94 K N -0.203 120.279 120.400 0.137 0.000 2.034 94 K HA -0.228 3.675 4.320 -0.694 0.000 0.214 94 K C -0.622 175.987 176.600 0.015 0.000 1.051 94 K CA 1.918 58.226 56.287 0.036 0.000 0.931 94 K CB -1.811 30.711 32.500 0.036 0.000 0.715 94 K HN 0.102 nan 8.250 nan 0.000 0.446 95 P HA -0.119 nan 4.420 nan 0.000 0.218 95 P C 1.189 178.506 177.300 0.028 0.000 1.149 95 P CA 1.161 64.272 63.100 0.018 0.000 0.817 95 P CB 0.010 31.716 31.700 0.009 0.000 0.785 96 I N -1.387 119.221 120.570 0.063 0.000 2.202 96 I HA -0.174 3.580 4.170 -0.694 0.000 0.242 96 I C 2.167 178.324 176.117 0.065 0.000 1.091 96 I CA 1.181 62.557 61.300 0.126 0.000 1.368 96 I CB -0.779 37.378 38.000 0.261 0.000 1.058 96 I HN -0.194 nan 8.210 nan 0.000 0.410 97 V N 0.886 120.793 119.914 -0.011 0.000 2.343 97 V HA -0.283 3.421 4.120 -0.694 0.000 0.247 97 V C 2.045 177.967 176.094 -0.287 0.000 1.051 97 V CA 1.925 64.103 62.300 -0.203 0.000 1.036 97 V CB -0.700 30.832 31.823 -0.485 0.000 0.654 97 V HN 0.400 nan 8.190 nan 0.000 0.451 98 D N 0.530 120.869 120.400 -0.102 0.000 2.144 98 D HA -0.123 4.101 4.640 -0.694 0.000 0.199 98 D C 2.227 178.521 176.300 -0.010 0.000 0.984 98 D CA 1.632 55.628 54.000 -0.007 0.000 0.834 98 D CB -0.299 40.517 40.800 0.028 0.000 0.955 98 D HN 0.457 nan 8.370 nan 0.000 0.465 99 A N 0.587 123.389 122.820 -0.031 0.000 1.930 99 A HA -0.114 3.790 4.320 -0.694 0.000 0.217 99 A C 2.526 180.075 177.584 -0.059 0.000 1.175 99 A CA 1.032 53.057 52.037 -0.020 0.000 0.627 99 A CB -0.649 18.352 19.000 0.002 0.000 0.815 99 A HN 0.143 nan 8.150 nan 0.000 0.443 100 V N -0.293 119.522 119.914 -0.165 0.000 2.358 100 V HA -0.226 3.478 4.120 -0.694 0.000 0.246 100 V C 2.425 178.471 176.094 -0.080 0.000 1.047 100 V CA 2.077 64.232 62.300 -0.242 0.000 1.035 100 V CB -1.029 30.437 31.823 -0.594 0.000 0.658 100 V HN 0.645 nan 8.190 nan 0.000 0.452 101 H N 0.331 119.383 119.070 -0.030 0.000 2.423 101 H HA 0.029 4.169 4.556 -0.693 0.000 0.297 101 H C 2.337 177.667 175.328 0.003 0.000 1.075 101 H CA 1.247 57.297 56.048 0.002 0.000 1.342 101 H CB -0.613 29.160 29.762 0.019 0.000 1.395 101 H HN 0.445 nan 8.280 nan 0.000 0.530 102 A N 1.072 123.961 122.820 0.115 0.000 2.024 102 A HA -0.161 3.742 4.320 -0.694 0.000 0.220 102 A C 2.011 179.623 177.584 0.048 0.000 1.164 102 A CA 1.457 53.533 52.037 0.065 0.000 0.643 102 A CB -0.178 18.844 19.000 0.038 0.000 0.806 102 A HN 0.317 nan 8.150 nan 0.000 0.451 103 K N -1.727 118.698 120.400 0.042 0.000 2.372 103 K HA 0.291 4.195 4.320 -0.694 0.000 0.200 103 K C 0.855 177.485 176.600 0.049 0.000 1.022 103 K CA 0.410 56.718 56.287 0.034 0.000 1.125 103 K CB 0.221 32.732 32.500 0.019 0.000 0.855 103 K HN 0.606 nan 8.250 nan 0.000 0.524 104 G N 1.289 110.131 108.800 0.071 0.000 2.141 104 G HA2 -0.235 3.309 3.960 -0.694 0.000 0.242 104 G HA3 -0.235 3.309 3.960 -0.694 0.000 0.242 104 G C 0.367 175.319 174.900 0.086 0.000 0.982 104 G CA -0.159 44.987 45.100 0.077 0.000 0.662 104 G HN 0.468 nan 8.290 nan 0.000 0.527 105 G N -0.585 108.265 108.800 0.084 0.000 2.539 105 G HA2 0.553 4.096 3.960 -0.694 0.000 0.258 105 G HA3 0.553 4.096 3.960 -0.694 0.000 0.258 105 G C 0.037 175.018 174.900 0.135 0.000 1.202 105 G CA -0.532 44.599 45.100 0.051 0.000 0.851 105 G HN 0.381 nan 8.290 nan 0.000 0.556 106 I N 1.076 121.689 120.570 0.072 0.000 2.354 106 I HA 0.322 4.075 4.170 -0.694 0.000 0.292 106 I C -0.723 175.516 176.117 0.203 0.000 0.989 106 I CA -0.644 60.714 61.300 0.098 0.000 1.188 106 I CB 1.130 39.051 38.000 -0.132 0.000 1.342 106 I HN 0.385 nan 8.210 nan 0.000 0.457 107 F N 6.368 126.409 119.950 0.151 0.000 2.427 107 F HA 0.474 4.580 4.527 -0.702 0.000 0.348 107 F C -0.903 175.153 175.800 0.427 0.000 1.125 107 F CA -0.725 57.383 58.000 0.181 0.000 0.989 107 F CB 1.268 40.247 39.000 -0.036 0.000 1.165 107 F HN 0.267 nan 8.300 nan 0.000 0.442 108 F N 4.875 124.931 119.950 0.178 0.000 2.443 108 F HA 0.343 4.440 4.527 -0.717 0.000 0.335 108 F C 0.038 175.577 175.800 -0.436 0.000 1.104 108 F CA -0.972 56.974 58.000 -0.090 0.000 1.013 108 F CB 1.379 40.375 39.000 -0.007 0.000 1.136 108 F HN 0.332 nan 8.300 nan 0.000 0.470 109 C N 5.052 123.856 119.300 -0.827 0.000 2.307 109 C HA 0.265 4.308 4.460 -0.694 0.000 0.340 109 C C 0.098 174.747 174.990 -0.570 0.000 1.275 109 C CA -0.450 57.795 59.018 -1.287 0.000 1.811 109 C CB 0.165 26.498 27.740 -2.344 0.000 2.372 109 C HN 0.814 nan 8.230 nan 0.000 0.531 110 Q N 5.605 125.202 119.800 -0.338 0.000 2.295 110 Q HA 0.476 4.399 4.340 -0.694 0.000 0.259 110 Q C -0.290 175.675 176.000 -0.059 0.000 0.976 110 Q CA -0.192 55.534 55.803 -0.128 0.000 0.923 110 Q CB 0.636 29.322 28.738 -0.086 0.000 1.185 110 Q HN 0.856 nan 8.270 nan 0.000 0.410 111 I N 1.410 122.003 120.570 0.038 0.000 2.353 111 I HA 0.661 4.415 4.170 -0.694 0.000 0.293 111 I C -0.955 175.413 176.117 0.418 0.000 0.992 111 I CA -0.790 60.602 61.300 0.152 0.000 1.268 111 I CB 0.734 38.793 38.000 0.099 0.000 1.387 111 I HN 0.644 nan 8.210 nan 0.000 0.478 112 W N 7.039 128.407 121.300 0.113 0.000 3.033 112 W HA 0.568 4.910 4.660 -0.530 0.000 0.336 112 W C -1.990 174.528 176.519 -0.003 0.000 1.173 112 W CA -0.553 56.872 57.345 0.133 0.000 1.185 112 W CB 1.276 30.782 29.460 0.078 0.000 1.425 112 W HN 0.658 nan 8.180 nan 0.000 0.536 113 H N 4.427 123.450 119.070 -0.078 0.000 3.017 113 H HA 0.255 4.391 4.556 -0.700 0.000 0.340 113 H C 0.589 175.707 175.328 -0.350 0.000 1.014 113 H CA 0.172 56.012 56.048 -0.348 0.000 1.341 113 H CB 2.135 31.805 29.762 -0.153 0.000 1.739 113 H HN 0.525 nan 8.280 nan 0.000 0.506 114 V N 2.714 122.274 119.914 -0.589 0.000 2.970 114 V HA 0.201 3.905 4.120 -0.694 0.000 0.260 114 V C 1.395 177.622 176.094 0.221 0.000 1.100 114 V CA 1.296 63.498 62.300 -0.163 0.000 1.122 114 V CB -0.967 30.659 31.823 -0.329 0.000 0.721 114 V HN 1.004 nan 8.190 nan 0.000 0.483 115 G N 2.416 111.422 108.800 0.344 0.000 2.583 115 G HA2 -0.439 3.105 3.960 -0.694 0.000 0.292 115 G HA3 -0.439 3.105 3.960 -0.694 0.000 0.292 115 G C 0.943 175.908 174.900 0.108 0.000 1.203 115 G CA 1.194 46.439 45.100 0.241 0.000 0.987 115 G HN 0.999 nan 8.290 nan 0.000 0.554 116 R N 0.007 120.536 120.500 0.050 0.000 2.328 116 R HA 0.198 4.121 4.340 -0.694 0.000 0.207 116 R C 1.083 177.391 176.300 0.012 0.000 1.056 116 R CA 1.300 57.406 56.100 0.009 0.000 1.016 116 R CB -0.288 29.984 30.300 -0.048 0.000 0.872 116 R HN 0.471 nan 8.270 nan 0.000 0.471 117 V N 1.599 121.536 119.914 0.039 0.000 1.984 117 V HA 0.120 3.824 4.120 -0.694 0.000 0.272 117 V C 0.121 176.282 176.094 0.111 0.000 1.706 117 V CA 0.043 62.365 62.300 0.036 0.000 1.644 117 V CB -0.430 31.517 31.823 0.208 0.000 1.509 117 V HN 0.384 nan 8.190 nan 0.000 0.511 118 S N 1.548 117.373 115.700 0.208 0.000 2.752 118 S HA 0.560 4.613 4.470 -0.694 0.000 0.284 118 S C -1.511 173.232 174.600 0.239 0.000 1.189 118 S CA -0.737 57.536 58.200 0.123 0.000 0.835 118 S CB 2.125 65.310 63.200 -0.025 0.000 1.192 118 S HN 0.539 nan 8.310 nan 0.000 0.506 119 N N 0.440 119.286 118.700 0.244 0.000 2.242 119 N HA 0.306 4.630 4.740 -0.694 0.000 0.292 119 N C 0.395 175.969 175.510 0.106 0.000 1.125 119 N CA -0.453 52.686 53.050 0.149 0.000 0.783 119 N CB 1.862 40.395 38.487 0.078 0.000 1.558 119 N HN 0.788 nan 8.380 nan 0.000 0.472 120 K N 0.839 121.261 120.400 0.037 0.000 2.281 120 K HA -0.096 3.808 4.320 -0.694 0.000 0.203 120 K C 0.028 176.619 176.600 -0.016 0.000 1.046 120 K CA 1.269 57.563 56.287 0.011 0.000 0.938 120 K CB 0.096 32.593 32.500 -0.006 0.000 0.737 120 K HN 0.341 nan 8.250 nan 0.000 0.458 121 D N 0.232 120.586 120.400 -0.077 0.000 2.310 121 D HA -0.070 4.154 4.640 -0.694 0.000 0.212 121 D C 1.005 177.195 176.300 -0.184 0.000 0.965 121 D CA 0.787 54.687 54.000 -0.166 0.000 0.879 121 D CB -0.062 40.570 40.800 -0.280 0.000 0.921 121 D HN 0.260 nan 8.370 nan 0.000 0.510 122 F N 0.540 120.469 119.950 -0.035 0.000 2.714 122 F HA 0.122 4.240 4.527 -0.682 0.000 0.294 122 F C 1.335 177.085 175.800 -0.084 0.000 1.120 122 F CA 0.083 58.059 58.000 -0.039 0.000 1.398 122 F CB 0.179 39.133 39.000 -0.078 0.000 1.120 122 F HN -0.268 nan 8.300 nan 0.000 0.589 123 Q N 1.051 120.904 119.800 0.089 0.000 2.312 123 Q HA 0.248 4.171 4.340 -0.694 0.000 0.236 123 Q C -2.285 173.705 176.000 -0.016 0.000 0.965 123 Q CA -2.141 53.662 55.803 -0.000 0.000 0.894 123 Q CB 0.028 28.760 28.738 -0.009 0.000 1.225 123 Q HN -0.030 nan 8.270 nan 0.000 0.478 124 P HA 0.026 nan 4.420 nan 0.000 0.267 124 P C -0.427 176.859 177.300 -0.023 0.000 1.205 124 P CA 0.098 63.175 63.100 -0.038 0.000 0.765 124 P CB 0.356 32.014 31.700 -0.069 0.000 0.828 125 N N 2.500 121.193 118.700 -0.011 0.000 2.693 125 N HA -0.219 4.105 4.740 -0.694 0.000 0.249 125 N C 0.901 176.403 175.510 -0.014 0.000 1.119 125 N CA 1.615 54.659 53.050 -0.010 0.000 0.717 125 N CB -1.864 36.616 38.487 -0.012 0.000 1.071 125 N HN 0.897 nan 8.380 nan 0.000 0.555 126 G N -0.483 108.308 108.800 -0.014 0.000 2.203 126 G HA2 -0.362 3.181 3.960 -0.694 0.000 0.263 126 G HA3 -0.362 3.181 3.960 -0.694 0.000 0.263 126 G C 0.100 174.990 174.900 -0.016 0.000 1.012 126 G CA 0.984 46.074 45.100 -0.017 0.000 0.749 126 G HN 0.662 nan 8.290 nan 0.000 0.512 127 E N 0.350 120.539 120.200 -0.017 0.000 2.410 127 E HA 0.326 4.260 4.350 -0.694 0.000 0.255 127 E C 0.100 176.693 176.600 -0.011 0.000 1.194 127 E CA -0.313 56.077 56.400 -0.017 0.000 0.955 127 E CB 0.474 30.160 29.700 -0.024 0.000 0.988 127 E HN 0.279 nan 8.360 nan 0.000 0.461 128 D N 1.612 122.005 120.400 -0.010 0.000 2.341 128 D HA 0.159 4.383 4.640 -0.694 0.000 0.245 128 D C -2.206 174.093 176.300 -0.002 0.000 1.106 128 D CA -1.439 52.560 54.000 -0.002 0.000 0.905 128 D CB 0.478 41.275 40.800 -0.006 0.000 1.202 128 D HN 0.091 nan 8.370 nan 0.000 0.426 129 P HA 0.135 nan 4.420 nan 0.000 0.271 129 P C -0.331 176.973 177.300 0.006 0.000 1.233 129 P CA -0.131 62.978 63.100 0.015 0.000 0.789 129 P CB 0.493 32.214 31.700 0.034 0.000 0.951 130 I N -2.404 118.179 120.570 0.021 0.000 2.648 130 I HA 0.829 4.582 4.170 -0.694 0.000 0.304 130 I C -0.164 175.934 176.117 -0.033 0.000 1.009 130 I CA -0.592 60.698 61.300 -0.017 0.000 1.114 130 I CB 2.225 40.205 38.000 -0.033 0.000 1.293 130 I HN 0.226 nan 8.210 nan 0.000 0.449 131 S N 1.707 117.349 115.700 -0.096 0.000 2.661 131 S HA 0.297 4.351 4.470 -0.694 0.000 0.268 131 S C 0.490 174.878 174.600 -0.354 0.000 1.162 131 S CA -0.175 57.919 58.200 -0.177 0.000 0.817 131 S CB 1.018 64.122 63.200 -0.160 0.000 1.141 131 S HN 1.022 nan 8.310 nan 0.000 0.477 132 C N 0.429 119.293 119.300 -0.725 0.000 2.468 132 C HA 0.446 4.489 4.460 -0.694 0.000 0.277 132 C C 1.279 175.956 174.990 -0.521 0.000 1.400 132 C CA 0.824 59.168 59.018 -1.123 0.000 1.770 132 C CB -1.677 24.907 27.740 -1.926 0.000 1.905 132 C HN 0.737 nan 8.230 nan 0.000 0.519 133 T N 0.500 114.839 114.554 -0.358 0.000 2.858 133 T HA 0.499 4.432 4.350 -0.694 0.000 0.285 133 T C -0.687 173.923 174.700 -0.151 0.000 1.052 133 T CA 0.215 62.184 62.100 -0.218 0.000 1.009 133 T CB 1.591 70.343 68.868 -0.193 0.000 1.241 133 T HN 0.445 nan 8.240 nan 0.000 0.542 134 D N 0.236 120.572 120.400 -0.107 0.000 2.538 134 D HA 0.195 4.419 4.640 -0.694 0.000 0.231 134 D C 0.127 176.391 176.300 -0.060 0.000 1.229 134 D CA -0.357 53.598 54.000 -0.075 0.000 0.828 134 D CB -0.035 40.730 40.800 -0.059 0.000 1.035 134 D HN 0.281 nan 8.370 nan 0.000 0.495 135 R N 0.121 120.578 120.500 -0.071 0.000 2.393 135 R HA 0.663 4.587 4.340 -0.694 0.000 0.310 135 R C 0.523 176.789 176.300 -0.056 0.000 0.968 135 R CA -0.755 55.310 56.100 -0.057 0.000 0.867 135 R CB 2.020 32.281 30.300 -0.065 0.000 1.124 135 R HN 0.095 nan 8.270 nan 0.000 0.450 136 G N 2.431 111.214 108.800 -0.030 0.000 2.502 136 G HA2 0.444 3.988 3.960 -0.694 0.000 0.305 136 G HA3 0.444 3.988 3.960 -0.694 0.000 0.305 136 G C -0.280 174.597 174.900 -0.039 0.000 1.190 136 G CA -0.809 44.282 45.100 -0.015 0.000 0.933 136 G HN 0.312 nan 8.290 nan 0.000 0.503 137 L N 0.308 121.489 121.223 -0.072 0.000 2.399 137 L HA 0.367 4.291 4.340 -0.694 0.000 0.266 137 L C 1.312 178.197 176.870 0.025 0.000 1.114 137 L CA -0.783 53.962 54.840 -0.159 0.000 0.804 137 L CB 1.380 43.089 42.059 -0.584 0.000 1.146 137 L HN 0.690 nan 8.230 nan 0.000 0.451 138 T N -0.589 113.970 114.554 0.007 0.000 2.882 138 T HA 0.376 4.310 4.350 -0.694 0.000 0.287 138 T C -2.430 172.372 174.700 0.171 0.000 1.014 138 T CA -1.781 60.366 62.100 0.078 0.000 1.049 138 T CB 0.890 69.774 68.868 0.026 0.000 1.001 138 T HN 0.263 nan 8.240 nan 0.000 0.525 139 P HA 0.150 nan 4.420 nan 0.000 0.266 139 P C -0.584 176.762 177.300 0.078 0.000 1.193 139 P CA -0.006 63.088 63.100 -0.009 0.000 0.770 139 P CB 0.279 31.812 31.700 -0.277 0.000 0.836 140 Q N 0.996 120.859 119.800 0.105 0.000 2.397 140 Q HA 0.502 4.426 4.340 -0.694 0.000 0.275 140 Q C -0.510 175.509 176.000 0.033 0.000 1.090 140 Q CA -0.905 54.964 55.803 0.111 0.000 0.809 140 Q CB 2.060 30.945 28.738 0.245 0.000 1.362 140 Q HN 0.367 nan 8.270 nan 0.000 0.431 141 I N 2.552 123.145 120.570 0.039 0.000 2.471 141 I HA 0.106 3.860 4.170 -0.694 0.000 0.286 141 I C 0.335 176.491 176.117 0.066 0.000 1.079 141 I CA 0.061 61.383 61.300 0.037 0.000 1.398 141 I CB 0.512 38.538 38.000 0.042 0.000 1.403 141 I HN 0.483 nan 8.210 nan 0.000 0.530 142 M N 4.055 123.692 119.600 0.061 0.000 2.198 142 M HA 0.028 4.092 4.480 -0.694 0.000 0.315 142 M C 1.748 178.103 176.300 0.092 0.000 1.134 142 M CA 0.035 55.387 55.300 0.088 0.000 1.171 142 M CB 0.787 33.437 32.600 0.083 0.000 1.413 142 M HN 0.772 nan 8.290 nan 0.000 0.467 143 S N 0.590 116.344 115.700 0.090 0.000 2.402 143 S HA -0.239 3.814 4.470 -0.694 0.000 0.233 143 S C 1.126 175.814 174.600 0.147 0.000 1.030 143 S CA 1.974 60.248 58.200 0.123 0.000 1.003 143 S CB -1.118 62.145 63.200 0.106 0.000 0.813 143 S HN 0.902 nan 8.310 nan 0.000 0.477 144 N N 0.726 119.497 118.700 0.120 0.000 2.550 144 N HA 0.156 4.479 4.740 -0.694 0.000 0.186 144 N C 1.457 177.013 175.510 0.077 0.000 1.110 144 N CA 0.426 53.536 53.050 0.100 0.000 0.912 144 N CB -0.533 38.005 38.487 0.086 0.000 0.968 144 N HN 0.626 nan 8.380 nan 0.000 0.448 145 G N 0.876 109.722 108.800 0.076 0.000 2.168 145 G HA2 -0.281 3.262 3.960 -0.694 0.000 0.263 145 G HA3 -0.281 3.262 3.960 -0.694 0.000 0.263 145 G C 0.654 175.583 174.900 0.048 0.000 0.977 145 G CA 0.750 45.887 45.100 0.061 0.000 0.659 145 G HN 0.492 nan 8.290 nan 0.000 0.533 146 I N -0.474 120.125 120.570 0.047 0.000 3.565 146 I HA 0.218 3.972 4.170 -0.694 0.000 0.287 146 I C 0.517 176.656 176.117 0.036 0.000 1.193 146 I CA -0.022 61.300 61.300 0.038 0.000 1.402 146 I CB 0.090 38.112 38.000 0.036 0.000 1.284 146 I HN -0.016 nan 8.210 nan 0.000 0.454 147 D N 1.895 122.319 120.400 0.041 0.000 2.277 147 D HA 0.474 4.698 4.640 -0.694 0.000 0.250 147 D C -0.369 175.947 176.300 0.026 0.000 1.032 147 D CA -0.113 53.909 54.000 0.037 0.000 0.947 147 D CB 2.692 43.516 40.800 0.040 0.000 1.159 147 D HN -0.026 nan 8.370 nan 0.000 0.460 148 I N 1.022 121.603 120.570 0.018 0.000 2.378 148 I HA 0.335 4.089 4.170 -0.694 0.000 0.291 148 I C 0.065 176.122 176.117 -0.100 0.000 0.992 148 I CA -0.797 60.475 61.300 -0.047 0.000 1.154 148 I CB 1.698 39.663 38.000 -0.060 0.000 1.315 148 I HN 0.275 nan 8.210 nan 0.000 0.448 149 A N 5.792 128.495 122.820 -0.195 0.000 2.289 149 A HA 0.544 4.447 4.320 -0.694 0.000 0.298 149 A C -0.876 176.307 177.584 -0.668 0.000 1.208 149 A CA -0.208 51.626 52.037 -0.338 0.000 0.845 149 A CB -0.063 18.743 19.000 -0.323 0.000 1.125 149 A HN 0.742 nan 8.150 nan 0.000 0.517 150 H N 0.497 119.269 119.070 -0.498 0.000 2.499 150 H HA 0.642 4.782 4.556 -0.693 0.000 0.340 150 H C -1.106 173.839 175.328 -0.638 0.000 1.148 150 H CA -0.047 55.757 56.048 -0.407 0.000 1.215 150 H CB 1.273 30.933 29.762 -0.171 0.000 1.529 150 H HN 0.577 nan 8.280 nan 0.000 0.510 151 F N 0.024 120.029 119.950 0.092 0.000 2.522 151 F HA 0.395 4.505 4.527 -0.695 0.000 0.324 151 F C 0.449 176.277 175.800 0.046 0.000 1.077 151 F CA -0.890 57.141 58.000 0.051 0.000 0.944 151 F CB 1.694 40.701 39.000 0.012 0.000 1.175 151 F HN 0.341 nan 8.300 nan 0.000 0.468 152 T N 1.632 116.305 114.554 0.197 0.000 2.845 152 T HA 0.276 4.210 4.350 -0.694 0.000 0.288 152 T C 0.018 174.776 174.700 0.097 0.000 0.980 152 T CA -0.677 61.489 62.100 0.109 0.000 1.071 152 T CB 0.797 69.704 68.868 0.066 0.000 0.941 152 T HN 0.517 nan 8.240 nan 0.000 0.487 153 R N 4.412 124.948 120.500 0.060 0.000 2.538 153 R HA 0.095 4.019 4.340 -0.694 0.000 0.282 153 R C -2.208 174.100 176.300 0.013 0.000 1.009 153 R CA -0.993 55.125 56.100 0.030 0.000 1.063 153 R CB 0.224 30.533 30.300 0.014 0.000 0.945 153 R HN 0.338 nan 8.270 nan 0.000 0.414 154 P HA 0.102 nan 4.420 nan 0.000 0.276 154 P C -1.316 175.964 177.300 -0.034 0.000 1.252 154 P CA -0.368 62.721 63.100 -0.019 0.000 0.802 154 P CB 0.837 32.514 31.700 -0.039 0.000 1.035 155 R N 1.509 121.987 120.500 -0.037 0.000 2.297 155 R HA 0.246 4.170 4.340 -0.694 0.000 0.308 155 R C 0.395 176.656 176.300 -0.064 0.000 1.029 155 R CA -0.721 55.354 56.100 -0.042 0.000 0.929 155 R CB 0.569 30.849 30.300 -0.034 0.000 1.046 155 R HN 0.436 nan 8.270 nan 0.000 0.461 156 R N 5.313 125.771 120.500 -0.071 0.000 2.351 156 R HA 0.087 4.011 4.340 -0.694 0.000 0.318 156 R C -0.384 175.868 176.300 -0.081 0.000 1.055 156 R CA -0.242 55.800 56.100 -0.097 0.000 0.968 156 R CB 0.309 30.556 30.300 -0.089 0.000 0.974 156 R HN 0.597 nan 8.270 nan 0.000 0.439 157 L N 3.883 125.049 121.223 -0.095 0.000 2.485 157 L HA 0.024 3.948 4.340 -0.694 0.000 0.275 157 L C 1.057 177.896 176.870 -0.052 0.000 1.207 157 L CA 0.284 55.081 54.840 -0.072 0.000 0.855 157 L CB 0.750 42.762 42.059 -0.079 0.000 1.114 157 L HN 0.758 nan 8.230 nan 0.000 0.485 158 T N -1.677 112.855 114.554 -0.036 0.000 2.882 158 T HA 0.120 4.053 4.350 -0.694 0.000 0.287 158 T C 1.211 175.914 174.700 0.005 0.000 1.014 158 T CA -0.495 61.600 62.100 -0.009 0.000 1.049 158 T CB 1.200 70.066 68.868 -0.003 0.000 1.001 158 T HN 0.658 nan 8.240 nan 0.000 0.525 159 T N 1.540 116.128 114.554 0.057 0.000 2.699 159 T HA -0.158 3.776 4.350 -0.694 0.000 0.268 159 T C 1.511 176.277 174.700 0.111 0.000 1.036 159 T CA 1.909 64.091 62.100 0.137 0.000 1.147 159 T CB -0.595 68.371 68.868 0.163 0.000 0.862 159 T HN 0.938 nan 8.240 nan 0.000 0.446 160 D N 0.844 121.283 120.400 0.065 0.000 2.355 160 D HA -0.019 4.204 4.640 -0.694 0.000 0.218 160 D C 1.591 177.904 176.300 0.022 0.000 1.004 160 D CA 0.463 54.494 54.000 0.052 0.000 0.880 160 D CB -0.345 40.479 40.800 0.040 0.000 0.911 160 D HN 0.400 nan 8.370 nan 0.000 0.528 161 E N -0.098 120.098 120.200 -0.005 0.000 2.250 161 E HA 0.100 4.033 4.350 -0.694 0.000 0.192 161 E C 2.059 178.628 176.600 -0.052 0.000 0.986 161 E CA 0.005 56.388 56.400 -0.027 0.000 0.849 161 E CB 0.098 29.774 29.700 -0.039 0.000 0.797 161 E HN 0.280 nan 8.360 nan 0.000 0.482 162 I N 1.476 121.983 120.570 -0.105 0.000 2.194 162 I HA -0.235 3.518 4.170 -0.694 0.000 0.246 162 I C -0.871 175.224 176.117 -0.036 0.000 1.093 162 I CA 1.202 62.383 61.300 -0.199 0.000 1.355 162 I CB -1.005 36.656 38.000 -0.565 0.000 1.046 162 I HN 0.075 nan 8.210 nan 0.000 0.413 163 P HA -0.172 nan 4.420 nan 0.000 0.219 163 P C 1.397 178.726 177.300 0.049 0.000 1.146 163 P CA 1.299 64.437 63.100 0.063 0.000 0.808 163 P CB -0.018 31.724 31.700 0.070 0.000 0.779 164 Q N -1.162 118.654 119.800 0.027 0.000 2.119 164 Q HA -0.109 3.814 4.340 -0.694 0.000 0.201 164 Q C 1.805 177.822 176.000 0.028 0.000 0.972 164 Q CA 1.008 56.821 55.803 0.018 0.000 0.847 164 Q CB -0.392 28.344 28.738 -0.002 0.000 0.903 164 Q HN 0.233 nan 8.270 nan 0.000 0.433 165 I N -0.104 120.494 120.570 0.046 0.000 2.353 165 I HA -0.166 3.587 4.170 -0.694 0.000 0.248 165 I C 2.224 178.478 176.117 0.228 0.000 1.119 165 I CA 0.884 62.240 61.300 0.093 0.000 1.417 165 I CB -1.051 37.009 38.000 0.100 0.000 1.078 165 I HN 0.044 nan 8.210 nan 0.000 0.421 166 V N 1.459 121.495 119.914 0.204 0.000 2.343 166 V HA -0.285 3.418 4.120 -0.694 0.000 0.247 166 V C 2.386 178.554 176.094 0.123 0.000 1.051 166 V CA 2.022 64.393 62.300 0.119 0.000 1.036 166 V CB -0.887 30.948 31.823 0.020 0.000 0.654 166 V HN 0.532 nan 8.190 nan 0.000 0.451 167 N N -0.080 118.668 118.700 0.081 0.000 2.289 167 N HA -0.193 4.130 4.740 -0.694 0.000 0.184 167 N C 1.792 177.331 175.510 0.048 0.000 1.016 167 N CA 1.287 54.369 53.050 0.053 0.000 0.872 167 N CB 0.082 38.589 38.487 0.033 0.000 0.973 167 N HN 0.629 nan 8.380 nan 0.000 0.433 168 E N -0.491 119.730 120.200 0.035 0.000 2.106 168 E HA -0.146 3.787 4.350 -0.694 0.000 0.192 168 E C 1.599 178.154 176.600 -0.074 0.000 0.984 168 E CA 0.876 57.250 56.400 -0.045 0.000 0.806 168 E CB -0.159 29.468 29.700 -0.121 0.000 0.750 168 E HN 0.401 nan 8.360 nan 0.000 0.458 169 F N 1.049 120.984 119.950 -0.025 0.000 2.186 169 F HA -0.113 3.983 4.527 -0.718 0.000 0.299 169 F C 2.640 178.406 175.800 -0.056 0.000 1.090 169 F CA 1.141 59.114 58.000 -0.044 0.000 1.307 169 F CB -0.127 38.812 39.000 -0.103 0.000 1.019 169 F HN -0.098 nan 8.300 nan 0.000 0.489 170 R N 0.479 121.053 120.500 0.123 0.000 2.073 170 R HA -0.149 3.775 4.340 -0.694 0.000 0.234 170 R C 2.051 178.366 176.300 0.024 0.000 1.134 170 R CA 1.901 58.029 56.100 0.046 0.000 0.952 170 R CB -0.678 29.639 30.300 0.029 0.000 0.850 170 R HN 0.157 nan 8.270 nan 0.000 0.433 171 V N 1.302 121.231 119.914 0.024 0.000 2.343 171 V HA -0.214 3.489 4.120 -0.694 0.000 0.247 171 V C 2.559 178.661 176.094 0.014 0.000 1.051 171 V CA 1.868 64.180 62.300 0.020 0.000 1.036 171 V CB -0.795 31.045 31.823 0.029 0.000 0.654 171 V HN 0.589 nan 8.190 nan 0.000 0.451 172 A N 0.126 122.948 122.820 0.004 0.000 1.908 172 A HA -0.167 3.736 4.320 -0.694 0.000 0.218 172 A C 2.446 179.997 177.584 -0.054 0.000 1.181 172 A CA 2.227 54.256 52.037 -0.012 0.000 0.627 172 A CB -0.824 18.152 19.000 -0.040 0.000 0.818 172 A HN 0.582 nan 8.150 nan 0.000 0.445 173 A N -0.365 122.427 122.820 -0.046 0.000 1.902 173 A HA -0.171 3.733 4.320 -0.694 0.000 0.217 173 A C 2.187 179.722 177.584 -0.082 0.000 1.181 173 A CA 2.184 54.167 52.037 -0.090 0.000 0.623 173 A CB -0.446 18.514 19.000 -0.066 0.000 0.818 173 A HN 0.476 nan 8.150 nan 0.000 0.443 174 R N 0.580 121.056 120.500 -0.040 0.000 2.073 174 R HA -0.108 3.816 4.340 -0.694 0.000 0.234 174 R C 1.717 178.007 176.300 -0.016 0.000 1.134 174 R CA 2.058 58.144 56.100 -0.023 0.000 0.952 174 R CB -0.608 29.689 30.300 -0.004 0.000 0.850 174 R HN 0.555 nan 8.270 nan 0.000 0.433 175 N N 0.335 119.028 118.700 -0.011 0.000 2.223 175 N HA -0.128 4.195 4.740 -0.694 0.000 0.185 175 N C 1.440 176.947 175.510 -0.005 0.000 1.016 175 N CA 1.511 54.566 53.050 0.007 0.000 0.863 175 N CB -0.439 38.064 38.487 0.027 0.000 0.983 175 N HN 0.376 nan 8.380 nan 0.000 0.429 176 A N 1.252 124.026 122.820 -0.076 0.000 1.898 176 A HA -0.059 3.845 4.320 -0.694 0.000 0.216 176 A C 2.088 179.713 177.584 0.068 0.000 1.181 176 A CA 0.801 52.782 52.037 -0.094 0.000 0.620 176 A CB -0.366 18.383 19.000 -0.419 0.000 0.819 176 A HN 0.089 nan 8.150 nan 0.000 0.442 177 I N 0.250 120.815 120.570 -0.008 0.000 2.226 177 I HA -0.228 3.525 4.170 -0.694 0.000 0.245 177 I C 2.425 178.564 176.117 0.036 0.000 1.100 177 I CA 1.899 63.209 61.300 0.015 0.000 1.374 177 I CB -1.387 36.605 38.000 -0.013 0.000 1.057 177 I HN 0.625 nan 8.210 nan 0.000 0.413 178 E N 1.294 121.512 120.200 0.030 0.000 2.110 178 E HA -0.187 3.746 4.350 -0.694 0.000 0.193 178 E C 2.103 178.729 176.600 0.044 0.000 0.988 178 E CA 1.329 57.750 56.400 0.034 0.000 0.804 178 E CB 0.040 29.759 29.700 0.033 0.000 0.745 178 E HN 0.420 nan 8.360 nan 0.000 0.458 179 A N -0.116 122.740 122.820 0.062 0.000 2.209 179 A HA 0.170 4.074 4.320 -0.694 0.000 0.212 179 A C 1.801 179.355 177.584 -0.050 0.000 1.158 179 A CA 1.119 53.182 52.037 0.043 0.000 0.742 179 A CB -0.438 18.625 19.000 0.104 0.000 0.790 179 A HN 0.548 nan 8.150 nan 0.000 0.472 180 G N -2.358 106.441 108.800 -0.002 0.000 2.179 180 G HA2 -0.227 3.316 3.960 -0.694 0.000 0.220 180 G HA3 -0.227 3.316 3.960 -0.694 0.000 0.220 180 G C 0.100 175.030 174.900 0.050 0.000 0.990 180 G CA -0.100 45.013 45.100 0.022 0.000 0.646 180 G HN 0.320 nan 8.290 nan 0.000 0.517 181 F N 1.751 121.652 119.950 -0.083 0.000 2.595 181 F HA 0.214 4.336 4.527 -0.674 0.000 0.359 181 F C 1.711 177.474 175.800 -0.061 0.000 1.147 181 F CA 0.792 58.694 58.000 -0.163 0.000 1.341 181 F CB 0.541 39.291 39.000 -0.418 0.000 1.104 181 F HN 0.013 nan 8.300 nan 0.000 0.603 182 D N 1.168 121.693 120.400 0.210 0.000 2.277 182 D HA 0.109 4.332 4.640 -0.694 0.000 0.208 182 D C 0.953 177.146 176.300 -0.178 0.000 0.962 182 D CA 1.066 55.161 54.000 0.159 0.000 0.865 182 D CB 0.284 41.217 40.800 0.221 0.000 0.939 182 D HN 0.654 nan 8.370 nan 0.000 0.510 183 G N -0.337 108.028 108.800 -0.724 0.000 2.489 183 G HA2 0.433 3.977 3.960 -0.694 0.000 0.305 183 G HA3 0.433 3.977 3.960 -0.694 0.000 0.305 183 G C -1.629 172.585 174.900 -1.143 0.000 1.311 183 G CA -0.172 44.128 45.100 -1.332 0.000 0.813 183 G HN 0.110 nan 8.290 nan 0.000 0.480 184 V N -2.602 116.801 119.914 -0.851 0.000 2.925 184 V HA 0.895 4.599 4.120 -0.694 0.000 0.311 184 V C -0.875 175.155 176.094 -0.106 0.000 1.104 184 V CA -0.859 61.190 62.300 -0.418 0.000 0.954 184 V CB 1.922 33.550 31.823 -0.325 0.000 1.022 184 V HN 1.002 nan 8.190 nan 0.000 0.427 185 E N 3.098 123.296 120.200 -0.003 0.000 2.145 185 E HA 0.559 4.492 4.350 -0.694 0.000 0.270 185 E C -1.015 175.587 176.600 0.004 0.000 0.906 185 E CA -0.902 55.533 56.400 0.058 0.000 0.761 185 E CB 1.724 31.537 29.700 0.187 0.000 1.116 185 E HN 0.809 nan 8.360 nan 0.000 0.408 186 I N 4.118 124.671 120.570 -0.028 0.000 2.471 186 I HA -0.006 3.747 4.170 -0.694 0.000 0.286 186 I C 0.388 176.542 176.117 0.062 0.000 1.079 186 I CA -0.231 61.069 61.300 0.001 0.000 1.398 186 I CB 0.374 38.291 38.000 -0.137 0.000 1.403 186 I HN 0.497 nan 8.210 nan 0.000 0.530 187 H N 6.573 125.700 119.070 0.096 0.000 3.118 187 H HA 0.209 4.696 4.556 -0.115 0.000 0.266 187 H C 0.737 176.137 175.328 0.119 0.000 1.465 187 H CA -0.657 55.456 56.048 0.109 0.000 1.460 187 H CB 0.449 30.334 29.762 0.205 0.000 1.661 187 H HN 0.733 nan 8.280 nan 0.000 0.516 188 G N 2.862 111.799 108.800 0.229 0.000 3.609 188 G HA2 0.464 4.007 3.960 -0.694 0.000 0.280 188 G HA3 0.464 4.007 3.960 -0.694 0.000 0.280 188 G C 0.225 175.210 174.900 0.142 0.000 1.155 188 G CA 0.343 45.526 45.100 0.139 0.000 0.876 188 G HN 0.682 nan 8.290 nan 0.000 0.535 189 A N -0.877 122.115 122.820 0.287 0.000 2.414 189 A HA 0.692 4.595 4.320 -0.694 0.000 0.278 189 A C 0.446 178.112 177.584 0.136 0.000 1.228 189 A CA -0.703 51.341 52.037 0.012 0.000 0.857 189 A CB 0.249 18.967 19.000 -0.469 0.000 1.389 189 A HN 0.614 nan 8.150 nan 0.000 0.452 190 H N -0.992 118.179 119.070 0.168 0.000 2.690 190 H HA -0.184 3.927 4.556 -0.742 0.000 0.309 190 H C 1.267 176.504 175.328 -0.152 0.000 1.138 190 H CA 1.346 57.429 56.048 0.057 0.000 1.142 190 H CB -1.469 28.328 29.762 0.059 0.000 1.410 190 H HN 2.218 nan 8.280 nan 0.000 0.409 191 G N -2.192 106.609 108.800 0.002 0.000 2.155 191 G HA2 -0.391 3.152 3.960 -0.694 0.000 0.257 191 G HA3 -0.391 3.152 3.960 -0.694 0.000 0.257 191 G C 0.126 174.932 174.900 -0.157 0.000 0.983 191 G CA 0.627 45.671 45.100 -0.093 0.000 0.676 191 G HN 0.532 nan 8.290 nan 0.000 0.528 192 Y N -1.283 119.151 120.300 0.223 0.000 2.314 192 Y HA 0.537 4.654 4.550 -0.721 0.000 0.359 192 Y C 1.844 177.876 175.900 0.220 0.000 1.360 192 Y CA -0.558 57.677 58.100 0.225 0.000 1.697 192 Y CB -0.373 38.250 38.460 0.272 0.000 1.630 192 Y HN 0.025 nan 8.280 nan 0.000 0.583 193 L N 0.656 122.156 121.223 0.461 0.000 2.010 193 L HA -0.272 3.651 4.340 -0.694 0.000 0.219 193 L C 1.893 179.076 176.870 0.520 0.000 1.077 193 L CA 1.897 56.992 54.840 0.424 0.000 0.773 193 L CB -0.952 41.370 42.059 0.439 0.000 0.892 193 L HN 0.699 nan 8.230 nan 0.000 0.436 194 I N -0.969 119.901 120.570 0.499 0.000 2.252 194 I HA -0.255 3.498 4.170 -0.694 0.000 0.245 194 I C 2.136 178.463 176.117 0.351 0.000 1.102 194 I CA 1.538 63.095 61.300 0.427 0.000 1.385 194 I CB -0.507 37.552 38.000 0.099 0.000 1.064 194 I HN 0.331 nan 8.210 nan 0.000 0.414 195 D N 0.644 121.200 120.400 0.259 0.000 2.178 195 D HA -0.185 4.039 4.640 -0.694 0.000 0.202 195 D C 2.230 178.615 176.300 0.142 0.000 0.974 195 D CA 1.210 55.311 54.000 0.167 0.000 0.841 195 D CB 0.068 40.940 40.800 0.120 0.000 0.953 195 D HN 0.284 nan 8.370 nan 0.000 0.478 196 Q N -1.134 118.755 119.800 0.148 0.000 2.096 196 Q HA -0.157 3.767 4.340 -0.694 0.000 0.204 196 Q C 1.913 177.898 176.000 -0.025 0.000 0.982 196 Q CA 1.245 57.059 55.803 0.018 0.000 0.850 196 Q CB -0.179 28.536 28.738 -0.039 0.000 0.901 196 Q HN 0.372 nan 8.270 nan 0.000 0.422 197 F N -0.370 119.594 119.950 0.024 0.000 2.206 197 F HA -0.112 3.996 4.527 -0.700 0.000 0.298 197 F C 2.152 177.983 175.800 0.051 0.000 1.090 197 F CA 0.986 58.999 58.000 0.022 0.000 1.323 197 F CB -0.045 38.996 39.000 0.069 0.000 1.028 197 F HN 0.067 nan 8.300 nan 0.000 0.492 198 M N -0.715 119.034 119.600 0.249 0.000 2.200 198 M HA -0.089 3.974 4.480 -0.694 0.000 0.265 198 M C 0.416 176.751 176.300 0.058 0.000 1.066 198 M CA 1.067 56.453 55.300 0.144 0.000 1.127 198 M CB -0.131 32.539 32.600 0.117 0.000 1.379 198 M HN -0.308 nan 8.290 nan 0.000 0.420 199 K N 2.270 122.687 120.400 0.028 0.000 2.379 199 K HA 0.001 3.905 4.320 -0.694 0.000 0.284 199 K C 0.230 176.803 176.600 -0.046 0.000 1.044 199 K CA 0.126 56.398 56.287 -0.026 0.000 0.974 199 K CB 0.505 32.978 32.500 -0.045 0.000 0.962 199 K HN 0.237 nan 8.250 nan 0.000 0.474 200 D N 1.696 122.064 120.400 -0.053 0.000 2.371 200 D HA -0.129 4.095 4.640 -0.694 0.000 0.221 200 D C 0.724 176.982 176.300 -0.070 0.000 0.986 200 D CA 0.831 54.797 54.000 -0.055 0.000 0.899 200 D CB 0.335 41.106 40.800 -0.047 0.000 0.902 200 D HN 0.229 nan 8.370 nan 0.000 0.530 201 Q N -0.115 119.632 119.800 -0.089 0.000 2.432 201 Q HA 0.121 4.044 4.340 -0.694 0.000 0.205 201 Q C 1.854 177.796 176.000 -0.097 0.000 0.945 201 Q CA 0.301 56.046 55.803 -0.096 0.000 0.924 201 Q CB 0.726 29.388 28.738 -0.127 0.000 1.016 201 Q HN 0.359 nan 8.270 nan 0.000 0.503 202 V N 0.103 119.955 119.914 -0.102 0.000 2.806 202 V HA 0.087 3.791 4.120 -0.694 0.000 0.239 202 V C 0.903 176.910 176.094 -0.145 0.000 1.113 202 V CA 0.103 62.329 62.300 -0.122 0.000 1.137 202 V CB -0.039 31.709 31.823 -0.126 0.000 0.865 202 V HN 0.204 nan 8.190 nan 0.000 0.482 203 N N 2.885 121.504 118.700 -0.136 0.000 2.415 203 N HA 0.027 4.351 4.740 -0.694 0.000 0.250 203 N C -0.416 175.035 175.510 -0.099 0.000 1.127 203 N CA 0.117 53.075 53.050 -0.153 0.000 0.945 203 N CB 0.677 39.100 38.487 -0.106 0.000 1.196 203 N HN 0.546 nan 8.380 nan 0.000 0.499 204 D N 2.122 122.458 120.400 -0.106 0.000 2.643 204 D HA 0.095 4.319 4.640 -0.694 0.000 0.244 204 D C 0.097 176.362 176.300 -0.059 0.000 1.257 204 D CA -0.328 53.630 54.000 -0.070 0.000 0.831 204 D CB -0.030 40.729 40.800 -0.067 0.000 1.043 204 D HN 0.290 nan 8.370 nan 0.000 0.488 205 R N 0.090 120.555 120.500 -0.057 0.000 2.694 205 R HA 0.310 4.234 4.340 -0.694 0.000 0.268 205 R C 0.779 177.080 176.300 0.002 0.000 1.061 205 R CA 0.202 56.287 56.100 -0.024 0.000 1.133 205 R CB 0.574 30.882 30.300 0.014 0.000 1.020 205 R HN 0.167 nan 8.270 nan 0.000 0.475 206 S N -1.010 114.696 115.700 0.011 0.000 2.754 206 S HA 0.056 4.110 4.470 -0.694 0.000 0.247 206 S C -0.203 174.410 174.600 0.022 0.000 1.031 206 S CA -0.690 57.517 58.200 0.010 0.000 1.014 206 S CB -0.120 63.080 63.200 -0.000 0.000 0.918 206 S HN 0.673 nan 8.310 nan 0.000 0.519 207 D N 1.806 122.236 120.400 0.050 0.000 2.589 207 D HA 0.230 4.454 4.640 -0.694 0.000 0.268 207 D C 1.044 177.364 176.300 0.034 0.000 1.182 207 D CA -0.870 53.163 54.000 0.055 0.000 1.087 207 D CB 0.403 41.266 40.800 0.105 0.000 1.186 207 D HN 0.168 nan 8.370 nan 0.000 0.620 208 K N -1.190 119.196 120.400 -0.023 0.000 2.515 208 K HA -0.117 3.786 4.320 -0.694 0.000 0.196 208 K C 0.571 177.037 176.600 -0.224 0.000 1.038 208 K CA 0.952 57.149 56.287 -0.150 0.000 0.967 208 K CB -0.503 31.846 32.500 -0.252 0.000 0.780 208 K HN 0.292 nan 8.250 nan 0.000 0.483 209 Y N 1.109 121.453 120.300 0.073 0.000 2.493 209 Y HA 0.322 4.455 4.550 -0.694 0.000 0.275 209 Y C 0.946 176.925 175.900 0.132 0.000 1.183 209 Y CA -0.114 58.064 58.100 0.129 0.000 1.258 209 Y CB 1.046 39.629 38.460 0.205 0.000 1.108 209 Y HN 0.260 nan 8.280 nan 0.000 0.521 210 G N -2.743 106.147 108.800 0.151 0.000 2.663 210 G HA2 0.459 4.003 3.960 -0.694 0.000 0.299 210 G HA3 0.459 4.003 3.960 -0.694 0.000 0.299 210 G C 0.391 175.307 174.900 0.027 0.000 1.372 210 G CA -0.252 44.900 45.100 0.087 0.000 0.781 210 G HN 0.277 nan 8.290 nan 0.000 0.491 211 G N -1.426 107.377 108.800 0.004 0.000 2.234 211 G HA2 0.163 3.707 3.960 -0.694 0.000 0.235 211 G HA3 0.163 3.707 3.960 -0.694 0.000 0.235 211 G C 0.578 175.462 174.900 -0.027 0.000 0.997 211 G CA 1.281 46.373 45.100 -0.013 0.000 0.623 211 G HN 2.465 nan 8.290 nan 0.000 0.514 212 S N -1.387 114.291 115.700 -0.037 0.000 2.565 212 S HA 0.665 4.718 4.470 -0.694 0.000 0.269 212 S C 0.568 175.107 174.600 -0.102 0.000 1.153 212 S CA 0.171 58.331 58.200 -0.068 0.000 0.835 212 S CB 1.504 64.660 63.200 -0.074 0.000 1.122 212 S HN 1.248 nan 8.310 nan 0.000 0.462 213 L N 1.755 122.879 121.223 -0.165 0.000 2.013 213 L HA -0.029 3.895 4.340 -0.694 0.000 0.212 213 L C 2.575 179.217 176.870 -0.380 0.000 1.073 213 L CA 2.743 57.427 54.840 -0.259 0.000 0.753 213 L CB -0.993 40.860 42.059 -0.342 0.000 0.890 213 L HN 1.051 nan 8.230 nan 0.000 0.432 214 E N -0.912 119.026 120.200 -0.438 0.000 2.058 214 E HA -0.286 3.648 4.350 -0.694 0.000 0.194 214 E C 1.865 178.423 176.600 -0.069 0.000 0.997 214 E CA 1.688 57.895 56.400 -0.323 0.000 0.801 214 E CB -0.109 29.499 29.700 -0.152 0.000 0.746 214 E HN 0.556 nan 8.360 nan 0.000 0.450 215 N N 0.439 119.107 118.700 -0.053 0.000 2.142 215 N HA -0.103 4.220 4.740 -0.694 0.000 0.186 215 N C 1.748 177.316 175.510 0.096 0.000 1.023 215 N CA 1.062 54.113 53.050 0.003 0.000 0.852 215 N CB -0.245 38.236 38.487 -0.009 0.000 0.998 215 N HN 0.181 nan 8.380 nan 0.000 0.424 216 R N -0.445 120.103 120.500 0.080 0.000 2.152 216 R HA 0.049 3.973 4.340 -0.694 0.000 0.232 216 R C 1.321 177.746 176.300 0.208 0.000 1.117 216 R CA 0.838 57.032 56.100 0.158 0.000 0.981 216 R CB -0.265 30.082 30.300 0.078 0.000 0.870 216 R HN 0.276 nan 8.270 nan 0.000 0.451 217 C N -0.464 118.932 119.300 0.160 0.000 2.696 217 C HA 0.167 4.210 4.460 -0.694 0.000 0.264 217 C C 2.355 177.464 174.990 0.198 0.000 1.288 217 C CA -0.599 58.544 59.018 0.207 0.000 1.717 217 C CB -0.743 27.194 27.740 0.327 0.000 1.893 217 C HN 0.452 nan 8.230 nan 0.000 0.577 218 R N 0.816 121.435 120.500 0.198 0.000 2.096 218 R HA -0.206 3.718 4.340 -0.694 0.000 0.240 218 R C 2.079 178.504 176.300 0.209 0.000 1.139 218 R CA 1.938 58.139 56.100 0.169 0.000 0.952 218 R CB -0.542 29.798 30.300 0.067 0.000 0.854 218 R HN 0.462 nan 8.270 nan 0.000 0.436 219 F N 1.087 121.088 119.950 0.084 0.000 2.095 219 F HA -0.177 3.933 4.527 -0.695 0.000 0.298 219 F C 2.148 177.818 175.800 -0.217 0.000 1.104 219 F CA 1.597 59.489 58.000 -0.179 0.000 1.232 219 F CB -0.798 37.768 39.000 -0.723 0.000 0.987 219 F HN 0.146 nan 8.300 nan 0.000 0.475 220 A N 0.556 123.243 122.820 -0.222 0.000 1.908 220 A HA -0.151 3.753 4.320 -0.694 0.000 0.218 220 A C 2.343 179.722 177.584 -0.342 0.000 1.181 220 A CA 1.909 53.732 52.037 -0.357 0.000 0.627 220 A CB -1.232 17.686 19.000 -0.136 0.000 0.818 220 A HN 0.499 nan 8.150 nan 0.000 0.445 221 L N -0.784 120.327 121.223 -0.187 0.000 2.217 221 L HA -0.147 3.777 4.340 -0.694 0.000 0.211 221 L C 2.454 179.180 176.870 -0.240 0.000 1.107 221 L CA 1.203 55.915 54.840 -0.214 0.000 0.783 221 L CB -0.554 41.490 42.059 -0.025 0.000 0.919 221 L HN 0.482 nan 8.230 nan 0.000 0.442 222 E N 0.341 120.438 120.200 -0.172 0.000 2.152 222 E HA -0.163 3.771 4.350 -0.694 0.000 0.192 222 E C 2.274 178.726 176.600 -0.247 0.000 0.983 222 E CA 0.939 57.260 56.400 -0.132 0.000 0.818 222 E CB 0.017 29.701 29.700 -0.026 0.000 0.758 222 E HN 0.515 nan 8.360 nan 0.000 0.467 223 I N 0.610 120.921 120.570 -0.432 0.000 2.252 223 I HA -0.228 3.526 4.170 -0.694 0.000 0.245 223 I C 2.347 178.237 176.117 -0.378 0.000 1.102 223 I CA 0.652 61.659 61.300 -0.490 0.000 1.385 223 I CB -0.112 37.366 38.000 -0.870 0.000 1.064 223 I HN -0.029 nan 8.210 nan 0.000 0.414 224 V N 0.798 120.452 119.914 -0.433 0.000 2.287 224 V HA -0.327 3.377 4.120 -0.694 0.000 0.248 224 V C 2.483 178.346 176.094 -0.385 0.000 1.053 224 V CA 2.226 64.256 62.300 -0.449 0.000 1.027 224 V CB -0.603 30.826 31.823 -0.658 0.000 0.646 224 V HN 0.487 nan 8.190 nan 0.000 0.447 225 E N 0.062 120.037 120.200 -0.376 0.000 2.038 225 E HA -0.252 3.681 4.350 -0.694 0.000 0.195 225 E C 2.264 178.829 176.600 -0.057 0.000 1.000 225 E CA 1.530 57.866 56.400 -0.106 0.000 0.803 225 E CB -0.291 29.433 29.700 0.041 0.000 0.750 225 E HN 0.546 nan 8.360 nan 0.000 0.448 226 A N 0.468 123.238 122.820 -0.083 0.000 1.883 226 A HA -0.176 3.727 4.320 -0.694 0.000 0.217 226 A C 2.430 179.984 177.584 -0.049 0.000 1.186 226 A CA 1.775 53.782 52.037 -0.049 0.000 0.624 226 A CB -0.789 18.180 19.000 -0.051 0.000 0.822 226 A HN 0.249 nan 8.150 nan 0.000 0.444 227 V N -0.294 119.570 119.914 -0.083 0.000 2.358 227 V HA -0.205 3.499 4.120 -0.694 0.000 0.246 227 V C 3.052 179.109 176.094 -0.062 0.000 1.047 227 V CA 1.870 64.127 62.300 -0.070 0.000 1.035 227 V CB -1.268 30.497 31.823 -0.097 0.000 0.658 227 V HN 0.625 nan 8.190 nan 0.000 0.452 228 A N 0.627 123.407 122.820 -0.065 0.000 1.902 228 A HA -0.227 3.677 4.320 -0.694 0.000 0.217 228 A C 2.036 179.619 177.584 -0.001 0.000 1.181 228 A CA 2.046 54.069 52.037 -0.024 0.000 0.623 228 A CB -0.672 18.337 19.000 0.015 0.000 0.818 228 A HN 0.595 nan 8.150 nan 0.000 0.443 229 N N -0.391 118.312 118.700 0.006 0.000 2.309 229 N HA -0.131 4.192 4.740 -0.694 0.000 0.182 229 N C 1.653 177.162 175.510 -0.001 0.000 1.018 229 N CA 1.512 54.569 53.050 0.011 0.000 0.876 229 N CB -0.253 38.244 38.487 0.017 0.000 0.972 229 N HN 0.698 nan 8.380 nan 0.000 0.434 230 E N 1.182 121.375 120.200 -0.011 0.000 2.051 230 E HA -0.010 3.923 4.350 -0.694 0.000 0.189 230 E C 1.698 178.288 176.600 -0.018 0.000 0.979 230 E CA 0.858 57.250 56.400 -0.012 0.000 0.803 230 E CB 0.009 29.699 29.700 -0.015 0.000 0.761 230 E HN 0.553 nan 8.360 nan 0.000 0.451 231 I N -4.090 116.464 120.570 -0.028 0.000 4.154 231 I HA 0.511 4.264 4.170 -0.694 0.000 0.334 231 I C 0.469 176.571 176.117 -0.025 0.000 1.371 231 I CA 0.114 61.395 61.300 -0.032 0.000 1.110 231 I CB 0.857 38.822 38.000 -0.058 0.000 1.085 231 I HN 0.109 nan 8.210 nan 0.000 0.398 232 G N 2.249 111.040 108.800 -0.015 0.000 3.055 232 G HA2 -0.195 3.349 3.960 -0.694 0.000 0.686 232 G HA3 -0.195 3.349 3.960 -0.694 0.000 0.686 232 G C 0.379 175.282 174.900 0.005 0.000 1.087 232 G CA -0.077 45.020 45.100 -0.004 0.000 0.779 232 G HN 0.513 nan 8.290 nan 0.000 0.599 233 S N 0.285 116.000 115.700 0.024 0.000 2.419 233 S HA -0.122 3.932 4.470 -0.694 0.000 0.233 233 S C 1.729 176.367 174.600 0.063 0.000 1.016 233 S CA 1.931 60.157 58.200 0.043 0.000 0.974 233 S CB -0.107 63.137 63.200 0.074 0.000 0.786 233 S HN 1.243 nan 8.310 nan 0.000 0.492 234 D N 0.982 121.419 120.400 0.060 0.000 2.363 234 D HA -0.062 4.162 4.640 -0.694 0.000 0.226 234 D C 1.348 177.773 176.300 0.209 0.000 1.020 234 D CA 0.313 54.373 54.000 0.100 0.000 0.892 234 D CB -0.425 40.386 40.800 0.018 0.000 0.900 234 D HN 0.467 nan 8.370 nan 0.000 0.531 235 R N -0.053 120.530 120.500 0.138 0.000 2.577 235 R HA 0.304 4.227 4.340 -0.694 0.000 0.344 235 R C -0.697 175.556 176.300 -0.078 0.000 1.037 235 R CA -0.182 55.979 56.100 0.100 0.000 1.102 235 R CB 1.568 31.859 30.300 -0.015 0.000 1.313 235 R HN 0.018 nan 8.270 nan 0.000 0.561 236 V N 0.024 119.961 119.914 0.039 0.000 2.588 236 V HA 0.668 4.371 4.120 -0.694 0.000 0.304 236 V C 0.218 176.233 176.094 -0.132 0.000 1.042 236 V CA -0.905 61.361 62.300 -0.056 0.000 0.877 236 V CB 1.912 33.686 31.823 -0.081 0.000 0.996 236 V HN 0.291 nan 8.190 nan 0.000 0.425 237 G N 2.882 111.503 108.800 -0.298 0.000 2.630 237 G HA2 0.861 4.405 3.960 -0.694 0.000 0.296 237 G HA3 0.861 4.405 3.960 -0.694 0.000 0.296 237 G C -1.683 173.004 174.900 -0.356 0.000 1.285 237 G CA -0.682 43.938 45.100 -0.801 0.000 0.958 237 G HN 0.748 nan 8.290 nan 0.000 0.479 238 I N -0.421 120.007 120.570 -0.236 0.000 2.722 238 I HA 0.660 4.413 4.170 -0.694 0.000 0.295 238 I C -0.848 175.253 176.117 -0.028 0.000 1.161 238 I CA -1.132 60.100 61.300 -0.113 0.000 1.032 238 I CB 2.216 40.127 38.000 -0.148 0.000 1.244 238 I HN 0.522 nan 8.210 nan 0.000 0.421 239 R N 7.927 128.390 120.500 -0.063 0.000 2.445 239 R HA 0.751 4.674 4.340 -0.694 0.000 0.308 239 R C -1.374 174.828 176.300 -0.162 0.000 0.961 239 R CA -0.576 55.431 56.100 -0.154 0.000 0.862 239 R CB 1.452 31.546 30.300 -0.343 0.000 1.144 239 R HN 0.711 nan 8.270 nan 0.000 0.447 240 I N -0.035 120.431 120.570 -0.174 0.000 2.934 240 I HA 0.551 4.305 4.170 -0.694 0.000 0.306 240 I C -0.725 175.303 176.117 -0.147 0.000 1.110 240 I CA -0.906 60.317 61.300 -0.128 0.000 1.019 240 I CB 2.692 40.648 38.000 -0.073 0.000 1.227 240 I HN 0.641 nan 8.210 nan 0.000 0.434 241 S N 1.322 116.953 115.700 -0.115 0.000 2.359 241 S HA 0.459 4.513 4.470 -0.694 0.000 0.148 241 S C -2.417 172.179 174.600 -0.006 0.000 1.610 241 S CA -0.954 57.213 58.200 -0.055 0.000 1.274 241 S CB 0.578 63.690 63.200 -0.148 0.000 1.380 241 S HN 0.585 nan 8.310 nan 0.000 0.380 242 P HA -0.062 nan 4.420 nan 0.000 0.216 242 P C 0.606 177.718 177.300 -0.313 0.000 1.150 242 P CA 1.166 64.117 63.100 -0.248 0.000 0.843 242 P CB -0.158 31.278 31.700 -0.441 0.000 0.787 243 F N -1.237 118.779 119.950 0.110 0.000 2.776 243 F HA 0.264 4.371 4.527 -0.700 0.000 0.300 243 F C 1.482 177.397 175.800 0.191 0.000 1.116 243 F CA -0.356 57.727 58.000 0.138 0.000 1.375 243 F CB -0.533 38.522 39.000 0.092 0.000 1.109 243 F HN -0.193 nan 8.300 nan 0.000 0.585 244 A N -0.366 122.641 122.820 0.311 0.000 2.371 244 A HA 0.239 4.142 4.320 -0.694 0.000 0.257 244 A C 0.421 178.262 177.584 0.428 0.000 1.089 244 A CA -0.171 52.062 52.037 0.326 0.000 0.794 244 A CB 0.019 19.203 19.000 0.308 0.000 1.029 244 A HN 0.536 nan 8.150 nan 0.000 0.488 245 H N 0.373 119.543 119.070 0.166 0.000 2.755 245 H HA 0.077 4.215 4.556 -0.698 0.000 0.273 245 H C -0.694 174.704 175.328 0.116 0.000 1.055 245 H CA -0.363 55.751 56.048 0.110 0.000 1.191 245 H CB 0.240 30.050 29.762 0.081 0.000 1.536 245 H HN 0.763 nan 8.280 nan 0.000 0.529 246 Y N 2.881 123.270 120.300 0.149 0.000 2.987 246 Y HA -0.248 3.899 4.550 -0.670 0.000 0.339 246 Y C 0.757 176.640 175.900 -0.028 0.000 1.272 246 Y CA 0.422 58.558 58.100 0.059 0.000 1.562 246 Y CB 0.054 38.554 38.460 0.067 0.000 1.253 246 Y HN 0.319 nan 8.280 nan 0.000 0.604 247 N N 3.802 122.288 118.700 -0.356 0.000 2.740 247 N HA -0.263 4.060 4.740 -0.694 0.000 0.248 247 N C -0.446 174.944 175.510 -0.201 0.000 1.062 247 N CA 1.355 54.216 53.050 -0.315 0.000 0.704 247 N CB -1.185 37.127 38.487 -0.291 0.000 0.968 247 N HN 0.892 nan 8.380 nan 0.000 0.547 248 E N -2.747 117.367 120.200 -0.143 0.000 2.269 248 E HA -0.261 3.673 4.350 -0.694 0.000 0.223 248 E C -0.094 176.440 176.600 -0.111 0.000 1.244 248 E CA 0.852 57.188 56.400 -0.108 0.000 0.713 248 E CB -1.306 28.317 29.700 -0.129 0.000 1.178 248 E HN 0.595 nan 8.360 nan 0.000 0.370 249 A N 0.749 123.518 122.820 -0.085 0.000 3.214 249 A HA 0.558 4.461 4.320 -0.694 0.000 0.304 249 A C 0.583 178.083 177.584 -0.140 0.000 0.969 249 A CA 0.134 52.116 52.037 -0.093 0.000 0.986 249 A CB 0.646 19.618 19.000 -0.046 0.000 1.073 249 A HN 0.296 nan 8.150 nan 0.000 0.487 250 G N -0.543 108.060 108.800 -0.329 0.000 2.557 250 G HA2 0.512 4.055 3.960 -0.694 0.000 0.292 250 G HA3 0.512 4.055 3.960 -0.694 0.000 0.292 250 G C -1.001 173.712 174.900 -0.312 0.000 1.237 250 G CA -0.301 44.419 45.100 -0.633 0.000 0.978 250 G HN 0.421 nan 8.290 nan 0.000 0.498 251 D N -2.828 117.436 120.400 -0.226 0.000 2.819 251 D HA 0.404 4.627 4.640 -0.694 0.000 0.232 251 D C 1.373 177.645 176.300 -0.046 0.000 1.160 251 D CA -0.089 53.847 54.000 -0.106 0.000 0.858 251 D CB 1.556 42.308 40.800 -0.080 0.000 1.610 251 D HN 0.342 nan 8.370 nan 0.000 0.481 252 T N 0.353 114.888 114.554 -0.031 0.000 2.995 252 T HA -0.027 3.907 4.350 -0.694 0.000 0.269 252 T C 0.805 175.519 174.700 0.023 0.000 1.091 252 T CA 0.465 62.568 62.100 0.004 0.000 1.128 252 T CB -0.075 68.791 68.868 -0.004 0.000 0.891 252 T HN 0.238 nan 8.240 nan 0.000 0.492 253 N N 1.367 120.069 118.700 0.004 0.000 2.752 253 N HA 0.342 4.666 4.740 -0.694 0.000 0.260 253 N C -2.597 172.898 175.510 -0.026 0.000 1.562 253 N CA -2.116 50.942 53.050 0.014 0.000 0.788 253 N CB 1.558 40.050 38.487 0.008 0.000 1.192 253 N HN 0.021 nan 8.380 nan 0.000 0.503 254 P HA -0.133 nan 4.420 nan 0.000 0.216 254 P C 1.392 178.474 177.300 -0.362 0.000 1.150 254 P CA 1.596 64.514 63.100 -0.304 0.000 0.837 254 P CB 0.120 31.577 31.700 -0.406 0.000 0.786 255 T N -2.369 112.160 114.554 -0.040 0.000 2.708 255 T HA -0.101 3.833 4.350 -0.694 0.000 0.266 255 T C 1.975 176.711 174.700 0.060 0.000 1.037 255 T CA 1.370 63.540 62.100 0.115 0.000 1.146 255 T CB -1.320 67.683 68.868 0.225 0.000 0.865 255 T HN 0.027 nan 8.240 nan 0.000 0.435 256 A N 1.733 124.580 122.820 0.045 0.000 1.902 256 A HA 0.136 4.040 4.320 -0.694 0.000 0.217 256 A C 2.356 179.981 177.584 0.067 0.000 1.181 256 A CA 1.607 53.680 52.037 0.059 0.000 0.623 256 A CB -0.988 18.034 19.000 0.037 0.000 0.818 256 A HN 0.481 nan 8.150 nan 0.000 0.443 257 L N 0.288 121.514 121.223 0.006 0.000 1.989 257 L HA -0.080 3.844 4.340 -0.694 0.000 0.211 257 L C 2.399 179.300 176.870 0.052 0.000 1.071 257 L CA 2.667 57.519 54.840 0.019 0.000 0.749 257 L CB -1.265 40.760 42.059 -0.056 0.000 0.890 257 L HN 0.293 nan 8.230 nan 0.000 0.431 258 G N -0.562 108.217 108.800 -0.035 0.000 2.440 258 G HA2 -0.289 3.255 3.960 -0.694 0.000 0.218 258 G HA3 -0.289 3.255 3.960 -0.694 0.000 0.218 258 G C 1.593 176.550 174.900 0.095 0.000 1.154 258 G CA 0.995 46.103 45.100 0.013 0.000 0.767 258 G HN 0.434 nan 8.290 nan 0.000 0.552 259 L N -0.565 120.725 121.223 0.113 0.000 2.046 259 L HA 0.011 3.934 4.340 -0.694 0.000 0.208 259 L C 2.499 179.445 176.870 0.127 0.000 1.077 259 L CA 1.754 56.668 54.840 0.124 0.000 0.747 259 L CB -0.841 41.291 42.059 0.121 0.000 0.896 259 L HN 0.335 nan 8.230 nan 0.000 0.432 260 Y N -0.937 119.392 120.300 0.047 0.000 2.165 260 Y HA -0.293 3.839 4.550 -0.696 0.000 0.286 260 Y C 2.401 178.338 175.900 0.062 0.000 1.155 260 Y CA 2.084 60.213 58.100 0.049 0.000 1.164 260 Y CB -0.142 38.338 38.460 0.034 0.000 0.978 260 Y HN 0.162 nan 8.280 nan 0.000 0.513 261 M N -0.240 119.399 119.600 0.065 0.000 2.086 261 M HA -0.158 3.906 4.480 -0.694 0.000 0.261 261 M C 2.411 178.699 176.300 -0.020 0.000 1.067 261 M CA 1.969 57.267 55.300 -0.003 0.000 1.116 261 M CB -1.596 31.035 32.600 0.053 0.000 1.348 261 M HN 0.378 nan 8.290 nan 0.000 0.407 262 V N -1.794 118.146 119.914 0.043 0.000 2.427 262 V HA -0.197 3.507 4.120 -0.694 0.000 0.248 262 V C 1.880 178.082 176.094 0.180 0.000 1.051 262 V CA 1.710 64.087 62.300 0.129 0.000 1.048 262 V CB -1.243 30.694 31.823 0.191 0.000 0.666 262 V HN 0.440 nan 8.190 nan 0.000 0.456 263 E N 1.207 121.439 120.200 0.053 0.000 2.077 263 E HA -0.134 3.800 4.350 -0.694 0.000 0.193 263 E C 2.415 178.985 176.600 -0.049 0.000 0.989 263 E CA 1.648 58.051 56.400 0.006 0.000 0.800 263 E CB -0.247 29.430 29.700 -0.038 0.000 0.746 263 E HN 0.687 nan 8.360 nan 0.000 0.452 264 S N 0.908 116.507 115.700 -0.169 0.000 2.406 264 S HA -0.031 4.023 4.470 -0.694 0.000 0.228 264 S C 1.960 176.627 174.600 0.112 0.000 1.020 264 S CA 0.574 58.690 58.200 -0.139 0.000 0.965 264 S CB -0.032 62.966 63.200 -0.337 0.000 0.798 264 S HN 0.179 nan 8.310 nan 0.000 0.488 265 L N 1.617 122.942 121.223 0.170 0.000 2.291 265 L HA -0.024 3.899 4.340 -0.694 0.000 0.214 265 L C 2.070 179.163 176.870 0.372 0.000 1.120 265 L CA 0.385 55.428 54.840 0.338 0.000 0.799 265 L CB -0.583 41.619 42.059 0.238 0.000 0.925 265 L HN 0.228 nan 8.230 nan 0.000 0.446 266 N N 1.434 120.274 118.700 0.233 0.000 2.061 266 N HA -0.233 4.090 4.740 -0.694 0.000 0.193 266 N C 1.741 177.250 175.510 -0.002 0.000 1.030 266 N CA 1.729 54.822 53.050 0.071 0.000 0.856 266 N CB -0.232 38.247 38.487 -0.014 0.000 1.023 266 N HN 0.506 nan 8.380 nan 0.000 0.424 267 K N -0.294 120.057 120.400 -0.081 0.000 2.360 267 K HA -0.116 3.788 4.320 -0.694 0.000 0.201 267 K C 1.084 177.509 176.600 -0.292 0.000 1.046 267 K CA 1.097 57.247 56.287 -0.229 0.000 0.945 267 K CB -0.354 31.929 32.500 -0.362 0.000 0.750 267 K HN 0.266 nan 8.250 nan 0.000 0.464 268 Y N 1.335 121.638 120.300 0.006 0.000 2.544 268 Y HA 0.010 4.148 4.550 -0.687 0.000 0.286 268 Y C -0.065 175.843 175.900 0.013 0.000 1.141 268 Y CA 0.412 58.516 58.100 0.006 0.000 1.299 268 Y CB -0.014 38.448 38.460 0.005 0.000 1.030 268 Y HN 0.212 nan 8.280 nan 0.000 0.543 269 D N 0.795 121.269 120.400 0.123 0.000 2.737 269 D HA -0.201 4.022 4.640 -0.694 0.000 0.238 269 D C -0.599 175.771 176.300 0.117 0.000 1.157 269 D CA 0.315 54.362 54.000 0.080 0.000 0.694 269 D CB -1.048 39.772 40.800 0.032 0.000 1.021 269 D HN 0.242 nan 8.370 nan 0.000 0.420 270 L N -0.196 121.129 121.223 0.170 0.000 2.475 270 L HA 0.501 4.425 4.340 -0.694 0.000 0.253 270 L C 2.163 179.131 176.870 0.162 0.000 1.198 270 L CA -0.246 54.680 54.840 0.144 0.000 0.814 270 L CB 0.268 42.401 42.059 0.125 0.000 1.134 270 L HN 0.187 nan 8.230 nan 0.000 0.478 271 A N 0.915 123.817 122.820 0.137 0.000 1.930 271 A HA -0.041 3.862 4.320 -0.694 0.000 0.217 271 A C 0.230 177.992 177.584 0.298 0.000 1.175 271 A CA 1.591 53.769 52.037 0.235 0.000 0.627 271 A CB -0.287 18.927 19.000 0.356 0.000 0.815 271 A HN 0.753 nan 8.150 nan 0.000 0.443 272 Y N -5.215 115.198 120.300 0.190 0.000 2.810 272 Y HA 0.507 4.618 4.550 -0.731 0.000 0.355 272 Y C -1.207 174.728 175.900 0.058 0.000 1.211 272 Y CA -1.981 56.212 58.100 0.156 0.000 1.112 272 Y CB -0.035 38.428 38.460 0.006 0.000 1.383 272 Y HN 0.202 nan 8.280 nan 0.000 0.458 273 C N 2.798 122.244 119.300 0.244 0.000 2.369 273 C HA 0.671 4.714 4.460 -0.694 0.000 0.322 273 C C -1.378 173.552 174.990 -0.101 0.000 1.258 273 C CA -0.149 58.802 59.018 -0.112 0.000 1.487 273 C CB 0.059 27.352 27.740 -0.746 0.000 2.165 273 C HN 0.964 nan 8.230 nan 0.000 0.483 274 H N 4.306 123.293 119.070 -0.138 0.000 2.551 274 H HA 0.715 4.888 4.556 -0.640 0.000 0.321 274 H C -1.134 174.004 175.328 -0.316 0.000 1.028 274 H CA -0.279 55.608 56.048 -0.270 0.000 1.215 274 H CB 1.308 31.023 29.762 -0.080 0.000 1.414 274 H HN 0.533 nan 8.280 nan 0.000 0.480 275 V N 6.038 125.847 119.914 -0.175 0.000 2.604 275 V HA 0.281 3.984 4.120 -0.694 0.000 0.305 275 V C -0.120 175.953 176.094 -0.035 0.000 1.043 275 V CA -0.976 61.234 62.300 -0.150 0.000 0.888 275 V CB 2.017 33.755 31.823 -0.142 0.000 0.995 275 V HN 0.517 nan 8.190 nan 0.000 0.429 276 V N 3.484 123.389 119.914 -0.017 0.000 2.498 276 V HA 0.301 4.005 4.120 -0.694 0.000 0.279 276 V C 0.517 176.697 176.094 0.143 0.000 1.048 276 V CA -0.675 61.658 62.300 0.055 0.000 0.967 276 V CB 1.173 33.027 31.823 0.051 0.000 0.988 276 V HN 0.829 nan 8.190 nan 0.000 0.473 277 E N 5.746 126.033 120.200 0.145 0.000 2.418 277 E HA 0.148 4.082 4.350 -0.694 0.000 0.261 277 E C -2.179 174.471 176.600 0.083 0.000 1.070 277 E CA -1.191 55.278 56.400 0.114 0.000 0.931 277 E CB 0.388 30.137 29.700 0.081 0.000 0.954 277 E HN 0.484 nan 8.360 nan 0.000 0.439 278 P HA 0.182 nan 4.420 nan 0.000 0.275 278 P C 0.174 177.455 177.300 -0.031 0.000 1.228 278 P CA -0.259 62.819 63.100 -0.036 0.000 0.786 278 P CB 0.861 32.324 31.700 -0.394 0.000 0.927 279 R N 1.339 121.843 120.500 0.007 0.000 2.148 279 R HA 0.090 4.013 4.340 -0.694 0.000 0.223 279 R C 1.139 177.419 176.300 -0.034 0.000 1.088 279 R CA 1.313 57.410 56.100 -0.005 0.000 0.985 279 R CB -0.520 29.790 30.300 0.016 0.000 0.880 279 R HN 0.653 nan 8.270 nan 0.000 0.451 280 M N -3.777 115.791 119.600 -0.053 0.000 2.520 280 M HA 0.591 4.655 4.480 -0.694 0.000 0.283 280 M C -1.327 174.924 176.300 -0.083 0.000 1.237 280 M CA -1.013 54.252 55.300 -0.058 0.000 0.885 280 M CB 2.265 34.841 32.600 -0.039 0.000 1.727 280 M HN -0.234 nan 8.290 nan 0.000 0.468 281 K N 1.331 121.687 120.400 -0.073 0.000 2.293 281 K HA 0.637 4.541 4.320 -0.694 0.000 0.267 281 K C -0.569 176.006 176.600 -0.042 0.000 1.010 281 K CA -0.477 55.762 56.287 -0.079 0.000 0.875 281 K CB 1.444 33.897 32.500 -0.079 0.000 1.106 281 K HN 0.830 nan 8.250 nan 0.000 0.450 290 T N 3.131 117.716 114.554 0.051 0.000 2.926 290 T HA 0.424 4.358 4.350 -0.694 0.000 0.307 290 T C -0.156 174.541 174.700 -0.004 0.000 1.059 290 T CA 0.297 62.410 62.100 0.022 0.000 1.122 290 T CB 0.418 69.283 68.868 -0.006 0.000 0.972 290 T HN 0.548 nan 8.240 nan 0.000 0.545 291 E N 1.727 121.869 120.200 -0.095 0.000 2.351 291 E HA 0.345 4.279 4.350 -0.694 0.000 0.266 291 E C -0.075 176.251 176.600 -0.456 0.000 1.031 291 E CA -0.158 55.981 56.400 -0.436 0.000 0.911 291 E CB 0.574 29.889 29.700 -0.642 0.000 0.986 291 E HN 0.459 nan 8.360 nan 0.000 0.446 292 S N 2.998 118.446 115.700 -0.419 0.000 2.552 292 S HA 0.217 4.271 4.470 -0.694 0.000 0.272 292 S C -0.088 174.511 174.600 -0.001 0.000 1.150 292 S CA -0.753 57.339 58.200 -0.181 0.000 0.849 292 S CB 0.759 63.924 63.200 -0.058 0.000 1.113 292 S HN 0.520 nan 8.310 nan 0.000 0.458 293 L N 3.253 124.524 121.223 0.080 0.000 2.567 293 L HA 0.163 4.087 4.340 -0.694 0.000 0.225 293 L C 1.913 178.862 176.870 0.131 0.000 1.119 293 L CA 0.155 55.133 54.840 0.231 0.000 0.871 293 L CB -0.297 41.970 42.059 0.347 0.000 1.036 293 L HN 0.579 nan 8.230 nan 0.000 0.459 294 V N 0.989 120.940 119.914 0.062 0.000 2.252 294 V HA -0.190 3.513 4.120 -0.694 0.000 0.249 294 V C -0.100 175.980 176.094 -0.024 0.000 1.056 294 V CA 2.086 64.386 62.300 0.000 0.000 1.022 294 V CB -1.600 30.227 31.823 0.007 0.000 0.641 294 V HN 0.354 nan 8.190 nan 0.000 0.445 295 P HA -0.133 nan 4.420 nan 0.000 0.218 295 P C 1.892 179.203 177.300 0.018 0.000 1.148 295 P CA 1.560 64.678 63.100 0.030 0.000 0.822 295 P CB -0.092 31.651 31.700 0.073 0.000 0.784 296 M N -1.929 117.694 119.600 0.039 0.000 2.156 296 M HA -0.086 3.978 4.480 -0.694 0.000 0.264 296 M C 2.377 178.557 176.300 -0.200 0.000 1.067 296 M CA 1.314 56.642 55.300 0.046 0.000 1.131 296 M CB -0.405 32.332 32.600 0.228 0.000 1.368 296 M HN -0.206 nan 8.290 nan 0.000 0.416 297 R N 1.381 121.553 120.500 -0.548 0.000 2.081 297 R HA -0.108 3.815 4.340 -0.694 0.000 0.235 297 R C 1.766 177.857 176.300 -0.349 0.000 1.131 297 R CA 1.697 57.222 56.100 -0.958 0.000 0.960 297 R CB -0.295 29.517 30.300 -0.814 0.000 0.856 297 R HN 0.374 nan 8.270 nan 0.000 0.436 298 K N -0.339 119.949 120.400 -0.186 0.000 2.097 298 K HA -0.056 3.848 4.320 -0.694 0.000 0.206 298 K C 2.001 178.573 176.600 -0.047 0.000 1.049 298 K CA 1.449 57.682 56.287 -0.089 0.000 0.933 298 K CB -0.102 32.367 32.500 -0.051 0.000 0.717 298 K HN 0.171 nan 8.250 nan 0.000 0.442 299 A N 0.400 123.211 122.820 -0.015 0.000 2.016 299 A HA -0.093 3.811 4.320 -0.694 0.000 0.217 299 A C 0.634 178.266 177.584 0.081 0.000 1.162 299 A CA 0.362 52.418 52.037 0.032 0.000 0.662 299 A CB -0.281 18.755 19.000 0.059 0.000 0.812 299 A HN 0.338 nan 8.150 nan 0.000 0.450 300 Y N 0.729 120.998 120.300 -0.052 0.000 2.336 300 Y HA 0.270 4.410 4.550 -0.683 0.000 0.335 300 Y C 0.796 176.699 175.900 0.004 0.000 1.046 300 Y CA -0.795 57.312 58.100 0.013 0.000 1.198 300 Y CB 0.835 39.358 38.460 0.105 0.000 1.182 300 Y HN -0.037 nan 8.280 nan 0.000 0.502 301 K N 4.075 124.157 120.400 -0.531 0.000 2.426 301 K HA 0.183 4.087 4.320 -0.694 0.000 0.193 301 K C 0.718 177.048 176.600 -0.451 0.000 1.028 301 K CA 0.473 56.527 56.287 -0.388 0.000 1.047 301 K CB 0.207 32.550 32.500 -0.261 0.000 0.821 301 K HN 0.850 nan 8.250 nan 0.000 0.513 302 G N 0.236 108.484 108.800 -0.922 0.000 2.736 302 G HA2 0.192 3.736 3.960 -0.694 0.000 0.229 302 G HA3 0.192 3.736 3.960 -0.694 0.000 0.229 302 G C -0.673 174.310 174.900 0.138 0.000 1.380 302 G CA -0.379 44.513 45.100 -0.347 0.000 1.040 302 G HN -0.022 nan 8.290 nan 0.000 0.568 303 T N 0.583 115.338 114.554 0.335 0.000 2.851 303 T HA 0.334 4.267 4.350 -0.694 0.000 0.298 303 T C -1.190 173.811 174.700 0.501 0.000 0.977 303 T CA 0.449 62.754 62.100 0.342 0.000 1.126 303 T CB 0.475 69.489 68.868 0.244 0.000 0.916 303 T HN 0.219 nan 8.240 nan 0.000 0.529 304 F N 4.215 124.274 119.950 0.181 0.000 2.449 304 F HA 0.584 4.708 4.527 -0.671 0.000 0.342 304 F C -0.580 175.190 175.800 -0.050 0.000 1.127 304 F CA -1.359 56.705 58.000 0.106 0.000 0.975 304 F CB 0.708 39.792 39.000 0.139 0.000 1.146 304 F HN 0.401 nan 8.300 nan 0.000 0.444 305 I N 7.041 127.332 120.570 -0.465 0.000 2.404 305 I HA 0.481 4.234 4.170 -0.694 0.000 0.293 305 I C -0.711 175.088 176.117 -0.530 0.000 0.992 305 I CA -1.154 59.819 61.300 -0.545 0.000 1.149 305 I CB 1.653 39.099 38.000 -0.923 0.000 1.315 305 I HN 0.365 nan 8.210 nan 0.000 0.446 306 V N 2.762 122.451 119.914 -0.375 0.000 2.815 306 V HA 1.038 4.742 4.120 -0.694 0.000 0.314 306 V C -0.267 175.683 176.094 -0.239 0.000 1.064 306 V CA -0.448 61.717 62.300 -0.225 0.000 0.952 306 V CB 1.626 33.389 31.823 -0.101 0.000 1.020 306 V HN 0.910 nan 8.190 nan 0.000 0.439 307 A N 1.187 124.010 122.820 0.004 0.000 2.612 307 A HA 0.991 4.894 4.320 -0.694 0.000 0.293 307 A C -0.005 177.702 177.584 0.206 0.000 1.075 307 A CA -0.343 51.729 52.037 0.059 0.000 0.680 307 A CB 1.355 20.436 19.000 0.135 0.000 1.279 307 A HN 2.812 nan 8.150 nan 0.000 0.411 308 G N -0.491 108.430 108.800 0.201 0.000 2.730 308 G HA2 0.544 4.088 3.960 -0.694 0.000 0.644 308 G HA3 0.544 4.088 3.960 -0.694 0.000 0.644 308 G C 1.163 176.093 174.900 0.049 0.000 1.168 308 G CA 0.857 46.029 45.100 0.120 0.000 1.240 308 G HN 2.851 nan 8.290 nan 0.000 0.551 309 G N -0.191 108.633 108.800 0.039 0.000 2.143 309 G HA2 -0.219 3.325 3.960 -0.694 0.000 0.248 309 G HA3 -0.219 3.325 3.960 -0.694 0.000 0.248 309 G C 0.520 175.382 174.900 -0.064 0.000 0.991 309 G CA 0.867 45.959 45.100 -0.015 0.000 0.689 309 G HN 1.521 nan 8.290 nan 0.000 0.522 310 Y N 1.681 121.967 120.300 -0.023 0.000 2.326 310 Y HA 0.468 4.600 4.550 -0.697 0.000 0.333 310 Y C 1.045 177.103 175.900 0.262 0.000 1.240 310 Y CA 0.329 58.433 58.100 0.006 0.000 1.365 310 Y CB 0.881 39.187 38.460 -0.257 0.000 1.289 310 Y HN 0.443 nan 8.280 nan 0.000 0.548 311 D N -0.078 120.564 120.400 0.403 0.000 2.758 311 D HA 0.273 4.497 4.640 -0.694 0.000 0.262 311 D C 0.836 177.202 176.300 0.110 0.000 1.113 311 D CA -0.851 53.352 54.000 0.338 0.000 1.114 311 D CB 0.463 41.353 40.800 0.149 0.000 1.363 311 D HN 0.374 nan 8.370 nan 0.000 0.617 312 R N -0.160 120.151 120.500 -0.316 0.000 2.070 312 R HA -0.168 3.756 4.340 -0.694 0.000 0.233 312 R C 1.926 178.037 176.300 -0.315 0.000 1.137 312 R CA 1.888 57.507 56.100 -0.803 0.000 0.945 312 R CB -0.222 29.592 30.300 -0.809 0.000 0.845 312 R HN 0.677 nan 8.270 nan 0.000 0.430 313 E N 0.119 120.226 120.200 -0.155 0.000 2.058 313 E HA -0.223 3.710 4.350 -0.694 0.000 0.194 313 E C 1.228 177.824 176.600 -0.006 0.000 0.997 313 E CA 1.919 58.276 56.400 -0.071 0.000 0.801 313 E CB -0.049 29.623 29.700 -0.046 0.000 0.746 313 E HN 0.371 nan 8.360 nan 0.000 0.450 314 D N -0.367 120.060 120.400 0.045 0.000 2.178 314 D HA -0.088 4.136 4.640 -0.694 0.000 0.202 314 D C 1.812 178.284 176.300 0.286 0.000 0.974 314 D CA 1.167 55.234 54.000 0.112 0.000 0.841 314 D CB -0.561 40.239 40.800 0.000 0.000 0.953 314 D HN 0.386 nan 8.370 nan 0.000 0.478 315 G N 1.080 110.051 108.800 0.285 0.000 2.421 315 G HA2 -0.254 3.289 3.960 -0.694 0.000 0.216 315 G HA3 -0.254 3.289 3.960 -0.694 0.000 0.216 315 G C 1.651 176.598 174.900 0.079 0.000 1.171 315 G CA 0.392 45.618 45.100 0.210 0.000 0.775 315 G HN 0.171 nan 8.290 nan 0.000 0.543 316 N N 0.358 119.067 118.700 0.015 0.000 2.142 316 N HA -0.077 4.246 4.740 -0.694 0.000 0.186 316 N C 2.168 177.693 175.510 0.025 0.000 1.023 316 N CA 0.825 53.874 53.050 -0.002 0.000 0.852 316 N CB -0.347 38.116 38.487 -0.040 0.000 0.998 316 N HN 0.359 nan 8.380 nan 0.000 0.424 317 R N 1.007 121.532 120.500 0.041 0.000 2.081 317 R HA -0.051 3.872 4.340 -0.694 0.000 0.235 317 R C 2.034 178.376 176.300 0.070 0.000 1.131 317 R CA 1.414 57.542 56.100 0.047 0.000 0.960 317 R CB -0.193 30.133 30.300 0.044 0.000 0.856 317 R HN 0.158 nan 8.270 nan 0.000 0.436 318 A N 1.078 123.969 122.820 0.118 0.000 1.908 318 A HA -0.157 3.747 4.320 -0.694 0.000 0.218 318 A C 2.193 179.816 177.584 0.064 0.000 1.181 318 A CA 1.381 53.491 52.037 0.123 0.000 0.627 318 A CB -0.528 18.567 19.000 0.158 0.000 0.818 318 A HN 0.358 nan 8.150 nan 0.000 0.445 319 L N -0.488 120.760 121.223 0.042 0.000 2.056 319 L HA -0.134 3.789 4.340 -0.694 0.000 0.207 319 L C 2.344 179.230 176.870 0.027 0.000 1.078 319 L CA 0.606 55.463 54.840 0.029 0.000 0.749 319 L CB -0.461 41.611 42.059 0.022 0.000 0.901 319 L HN 0.288 nan 8.230 nan 0.000 0.433 320 I N 0.224 120.809 120.570 0.025 0.000 2.286 320 I HA -0.234 3.520 4.170 -0.694 0.000 0.248 320 I C 2.043 178.172 176.117 0.019 0.000 1.115 320 I CA 1.581 62.892 61.300 0.018 0.000 1.392 320 I CB -0.861 37.147 38.000 0.014 0.000 1.065 320 I HN 0.385 nan 8.210 nan 0.000 0.418 321 E N 0.054 120.269 120.200 0.026 0.000 2.489 321 E HA -0.099 3.835 4.350 -0.694 0.000 0.193 321 E C 0.035 176.647 176.600 0.021 0.000 1.057 321 E CA 0.026 56.440 56.400 0.023 0.000 0.866 321 E CB -0.004 29.714 29.700 0.030 0.000 0.916 321 E HN 0.257 nan 8.360 nan 0.000 0.500 322 D N 0.706 121.120 120.400 0.024 0.000 2.772 322 D HA -0.214 4.010 4.640 -0.694 0.000 0.233 322 D C 0.455 176.766 176.300 0.019 0.000 1.143 322 D CA 0.594 54.606 54.000 0.020 0.000 0.700 322 D CB -0.769 40.036 40.800 0.008 0.000 1.076 322 D HN 0.175 nan 8.370 nan 0.000 0.430 323 R N -0.691 119.834 120.500 0.042 0.000 2.297 323 R HA 0.506 4.429 4.340 -0.694 0.000 0.197 323 R C 0.730 177.104 176.300 0.122 0.000 0.943 323 R CA 1.036 57.170 56.100 0.057 0.000 1.038 323 R CB 0.635 30.992 30.300 0.094 0.000 0.957 323 R HN 0.253 nan 8.270 nan 0.000 0.484 324 A N -0.660 122.233 122.820 0.122 0.000 2.566 324 A HA 0.282 4.185 4.320 -0.694 0.000 0.290 324 A C -1.100 176.546 177.584 0.102 0.000 1.071 324 A CA -0.848 51.308 52.037 0.197 0.000 0.658 324 A CB 1.012 20.098 19.000 0.143 0.000 1.285 324 A HN -0.004 nan 8.150 nan 0.000 0.427 325 D N -0.475 119.986 120.400 0.101 0.000 2.422 325 D HA 0.276 4.500 4.640 -0.694 0.000 0.218 325 D C -0.024 176.268 176.300 -0.014 0.000 1.047 325 D CA 0.972 55.001 54.000 0.048 0.000 0.885 325 D CB 0.575 41.418 40.800 0.073 0.000 1.035 325 D HN 0.388 nan 8.370 nan 0.000 0.502 326 L N 0.634 121.813 121.223 -0.075 0.000 2.409 326 L HA 0.465 4.388 4.340 -0.694 0.000 0.262 326 L C -1.044 175.686 176.870 -0.232 0.000 0.992 326 L CA -0.933 53.818 54.840 -0.148 0.000 0.817 326 L CB 3.328 45.241 42.059 -0.243 0.000 1.350 326 L HN -0.374 nan 8.230 nan 0.000 0.411 327 V N 1.460 121.251 119.914 -0.205 0.000 2.407 327 V HA 0.651 4.355 4.120 -0.694 0.000 0.291 327 V C 0.053 175.970 176.094 -0.296 0.000 1.018 327 V CA -0.607 61.469 62.300 -0.374 0.000 0.842 327 V CB 1.589 33.186 31.823 -0.377 0.000 0.996 327 V HN 0.818 nan 8.190 nan 0.000 0.426 328 A N 4.740 127.317 122.820 -0.405 0.000 2.309 328 A HA 0.811 4.714 4.320 -0.694 0.000 0.298 328 A C -1.192 176.228 177.584 -0.273 0.000 1.165 328 A CA -0.234 51.680 52.037 -0.205 0.000 0.821 328 A CB 0.340 19.231 19.000 -0.181 0.000 1.102 328 A HN 0.740 nan 8.150 nan 0.000 0.500 329 Y N 1.180 121.560 120.300 0.133 0.000 2.364 329 Y HA 0.516 4.651 4.550 -0.691 0.000 0.340 329 Y C 1.221 177.209 175.900 0.146 0.000 0.975 329 Y CA 0.353 58.547 58.100 0.157 0.000 1.089 329 Y CB 2.469 41.013 38.460 0.141 0.000 1.192 329 Y HN 0.773 nan 8.280 nan 0.000 0.454 330 G N 2.098 110.984 108.800 0.144 0.000 2.651 330 G HA2 0.021 3.564 3.960 -0.694 0.000 0.226 330 G HA3 0.021 3.564 3.960 -0.694 0.000 0.226 330 G C 1.258 176.085 174.900 -0.123 0.000 1.542 330 G CA -0.196 44.899 45.100 -0.008 0.000 0.868 330 G HN 0.589 nan 8.290 nan 0.000 0.588 331 R N 0.053 120.378 120.500 -0.291 0.000 2.103 331 R HA 0.020 3.944 4.340 -0.694 0.000 0.242 331 R C 2.628 178.726 176.300 -0.335 0.000 1.142 331 R CA 1.165 56.905 56.100 -0.600 0.000 0.960 331 R CB -0.593 29.065 30.300 -1.070 0.000 0.858 331 R HN 0.265 nan 8.270 nan 0.000 0.439 332 L N -0.735 120.465 121.223 -0.039 0.000 2.191 332 L HA -0.155 3.769 4.340 -0.694 0.000 0.212 332 L C 2.014 178.821 176.870 -0.105 0.000 1.103 332 L CA 0.749 55.624 54.840 0.058 0.000 0.769 332 L CB -0.231 41.880 42.059 0.087 0.000 0.908 332 L HN 0.129 nan 8.230 nan 0.000 0.438 333 F N 0.002 119.846 119.950 -0.176 0.000 2.456 333 F HA -0.041 4.073 4.527 -0.688 0.000 0.298 333 F C 2.178 177.802 175.800 -0.294 0.000 1.104 333 F CA 0.640 58.498 58.000 -0.238 0.000 1.435 333 F CB -0.132 38.775 39.000 -0.155 0.000 1.078 333 F HN -0.076 nan 8.300 nan 0.000 0.546 334 I N -0.611 119.893 120.570 -0.110 0.000 2.179 334 I HA -0.302 3.451 4.170 -0.694 0.000 0.242 334 I C 2.292 178.085 176.117 -0.539 0.000 1.088 334 I CA 1.807 62.966 61.300 -0.236 0.000 1.357 334 I CB -0.498 37.295 38.000 -0.345 0.000 1.051 334 I HN 0.105 nan 8.210 nan 0.000 0.409 335 S N -0.718 114.579 115.700 -0.672 0.000 2.558 335 S HA 0.114 4.168 4.470 -0.694 0.000 0.217 335 S C 0.610 174.899 174.600 -0.518 0.000 0.975 335 S CA -0.139 57.348 58.200 -1.188 0.000 0.912 335 S CB -0.165 62.664 63.200 -0.617 0.000 0.776 335 S HN 0.337 nan 8.310 nan 0.000 0.526 336 N N 2.228 120.714 118.700 -0.358 0.000 2.664 336 N HA 0.275 4.599 4.740 -0.694 0.000 0.257 336 N C -2.662 172.645 175.510 -0.338 0.000 1.108 336 N CA -1.287 51.561 53.050 -0.337 0.000 0.822 336 N CB 2.071 40.331 38.487 -0.379 0.000 1.199 336 N HN 0.063 nan 8.380 nan 0.000 0.529 337 P HA -0.143 nan 4.420 nan 0.000 0.216 337 P C 0.250 177.388 177.300 -0.270 0.000 1.153 337 P CA 1.524 64.354 63.100 -0.450 0.000 0.858 337 P CB 0.132 31.179 31.700 -1.089 0.000 0.789 338 D N -0.878 119.294 120.400 -0.381 0.000 3.072 338 D HA 0.029 4.253 4.640 -0.694 0.000 0.250 338 D C 1.408 177.485 176.300 -0.372 0.000 1.304 338 D CA -0.370 53.519 54.000 -0.184 0.000 0.861 338 D CB -1.021 39.800 40.800 0.034 0.000 1.062 338 D HN 0.096 nan 8.370 nan 0.000 0.481 339 L N -0.001 120.832 121.223 -0.650 0.000 2.012 339 L HA -0.112 3.811 4.340 -0.694 0.000 0.210 339 L C -0.639 175.617 176.870 -1.023 0.000 1.073 339 L CA 1.848 56.043 54.840 -1.074 0.000 0.748 339 L CB -0.975 40.017 42.059 -1.778 0.000 0.891 339 L HN 0.108 nan 8.230 nan 0.000 0.431 340 P HA -0.211 nan 4.420 nan 0.000 0.215 340 P C 1.331 178.417 177.300 -0.357 0.000 1.157 340 P CA 1.395 64.159 63.100 -0.561 0.000 0.874 340 P CB 0.042 31.399 31.700 -0.572 0.000 0.790 341 K N 0.050 120.287 120.400 -0.271 0.000 2.057 341 K HA -0.111 3.793 4.320 -0.694 0.000 0.207 341 K C 2.126 178.651 176.600 -0.125 0.000 1.049 341 K CA 1.508 57.706 56.287 -0.149 0.000 0.931 341 K CB -0.489 31.962 32.500 -0.081 0.000 0.714 341 K HN -0.071 nan 8.250 nan 0.000 0.440 342 R N -0.876 119.509 120.500 -0.191 0.000 2.081 342 R HA -0.102 3.821 4.340 -0.694 0.000 0.235 342 R C 2.211 178.511 176.300 0.001 0.000 1.131 342 R CA 1.381 57.404 56.100 -0.128 0.000 0.960 342 R CB -0.434 29.741 30.300 -0.210 0.000 0.856 342 R HN 0.158 nan 8.270 nan 0.000 0.436 343 F N 1.385 121.205 119.950 -0.217 0.000 2.102 343 F HA -0.163 3.945 4.527 -0.697 0.000 0.298 343 F C 2.444 178.160 175.800 -0.140 0.000 1.105 343 F CA 1.110 58.991 58.000 -0.199 0.000 1.239 343 F CB -0.945 37.894 39.000 -0.269 0.000 0.991 343 F HN 0.135 nan 8.300 nan 0.000 0.474 344 E N 0.222 120.459 120.200 0.062 0.000 2.118 344 E HA -0.200 3.733 4.350 -0.694 0.000 0.195 344 E C 1.924 178.525 176.600 0.002 0.000 0.992 344 E CA 1.080 57.485 56.400 0.008 0.000 0.804 344 E CB -0.183 29.500 29.700 -0.028 0.000 0.741 344 E HN 0.389 nan 8.360 nan 0.000 0.458 345 L N 0.186 121.410 121.223 0.001 0.000 2.607 345 L HA 0.104 4.027 4.340 -0.694 0.000 0.228 345 L C 0.643 177.515 176.870 0.004 0.000 1.123 345 L CA -0.077 54.761 54.840 -0.002 0.000 0.890 345 L CB -0.020 42.034 42.059 -0.008 0.000 1.103 345 L HN 0.179 nan 8.230 nan 0.000 0.468 346 N N 0.793 119.504 118.700 0.018 0.000 2.735 346 N HA -0.183 4.140 4.740 -0.694 0.000 0.248 346 N C -0.073 175.446 175.510 0.015 0.000 1.083 346 N CA 0.693 53.753 53.050 0.017 0.000 0.703 346 N CB -0.636 37.848 38.487 -0.006 0.000 1.005 346 N HN 0.413 nan 8.380 nan 0.000 0.550 347 A N -0.064 122.766 122.820 0.017 0.000 2.304 347 A HA 0.660 4.564 4.320 -0.694 0.000 0.271 347 A C -1.799 175.788 177.584 0.005 0.000 1.091 347 A CA -0.859 51.180 52.037 0.003 0.000 0.812 347 A CB 0.218 19.212 19.000 -0.011 0.000 1.056 347 A HN 0.295 nan 8.150 nan 0.000 0.489 348 P HA 0.345 nan 4.420 nan 0.000 0.270 348 P C -0.988 176.303 177.300 -0.016 0.000 1.223 348 P CA 0.079 63.177 63.100 -0.003 0.000 0.785 348 P CB 0.335 32.032 31.700 -0.005 0.000 0.923 349 L N 1.816 123.029 121.223 -0.016 0.000 2.342 349 L HA 0.411 4.335 4.340 -0.694 0.000 0.271 349 L C 0.394 177.244 176.870 -0.034 0.000 1.008 349 L CA -1.065 53.751 54.840 -0.040 0.000 0.818 349 L CB 1.225 43.270 42.059 -0.023 0.000 1.296 349 L HN 0.279 nan 8.230 nan 0.000 0.427 350 N N 2.008 120.684 118.700 -0.039 0.000 2.518 350 N HA 0.140 4.463 4.740 -0.694 0.000 0.266 350 N C -0.389 175.117 175.510 -0.007 0.000 1.196 350 N CA -0.357 52.697 53.050 0.006 0.000 0.947 350 N CB 0.805 39.328 38.487 0.061 0.000 1.098 350 N HN 0.326 nan 8.380 nan 0.000 0.450 351 K N 1.666 122.063 120.400 -0.006 0.000 2.202 351 K HA 0.171 4.074 4.320 -0.694 0.000 0.264 351 K C -0.137 176.477 176.600 0.023 0.000 1.010 351 K CA -0.223 55.996 56.287 -0.114 0.000 0.940 351 K CB 0.176 32.601 32.500 -0.126 0.000 0.983 351 K HN 0.473 nan 8.250 nan 0.000 0.475 352 Y N -1.039 119.327 120.300 0.110 0.000 2.352 352 Y HA 0.445 4.586 4.550 -0.682 0.000 0.326 352 Y C 0.182 176.191 175.900 0.182 0.000 1.166 352 Y CA -1.479 56.735 58.100 0.190 0.000 1.182 352 Y CB 0.636 39.236 38.460 0.234 0.000 1.216 352 Y HN 0.398 nan 8.280 nan 0.000 0.474 353 N N 2.409 121.368 118.700 0.431 0.000 2.546 353 N HA 0.158 4.482 4.740 -0.694 0.000 0.238 353 N C 0.700 176.012 175.510 -0.330 0.000 0.984 353 N CA -0.893 52.215 53.050 0.096 0.000 0.935 353 N CB 0.668 39.226 38.487 0.117 0.000 1.122 353 N HN 0.889 nan 8.380 nan 0.000 0.510 354 R N 1.823 121.909 120.500 -0.689 0.000 2.193 354 R HA -0.042 3.881 4.340 -0.694 0.000 0.229 354 R C -0.204 175.686 176.300 -0.684 0.000 1.110 354 R CA 0.982 56.179 56.100 -1.504 0.000 0.988 354 R CB -0.006 29.840 30.300 -0.757 0.000 0.871 354 R HN 0.302 nan 8.270 nan 0.000 0.458 355 D N 1.318 121.543 120.400 -0.291 0.000 2.350 355 D HA -0.074 4.150 4.640 -0.694 0.000 0.216 355 D C 0.999 177.284 176.300 -0.025 0.000 0.968 355 D CA 1.704 55.647 54.000 -0.096 0.000 0.894 355 D CB 0.273 41.048 40.800 -0.042 0.000 0.909 355 D HN 0.538 nan 8.370 nan 0.000 0.520 356 T N -2.890 111.648 114.554 -0.027 0.000 3.182 356 T HA 0.118 4.052 4.350 -0.694 0.000 0.277 356 T C 1.371 176.194 174.700 0.205 0.000 1.013 356 T CA -0.460 61.697 62.100 0.094 0.000 0.900 356 T CB -0.269 68.657 68.868 0.097 0.000 1.098 356 T HN -0.209 nan 8.240 nan 0.000 0.543 357 F N 1.771 121.679 119.950 -0.070 0.000 2.134 357 F HA 0.140 4.260 4.527 -0.678 0.000 0.299 357 F C 1.181 176.717 175.800 -0.440 0.000 1.097 357 F CA 0.267 58.065 58.000 -0.337 0.000 1.264 357 F CB -0.649 37.951 39.000 -0.667 0.000 1.001 357 F HN 0.325 nan 8.300 nan 0.000 0.479 358 Y N -0.631 119.823 120.300 0.258 0.000 2.584 358 Y HA 0.191 4.315 4.550 -0.709 0.000 0.254 358 Y C 1.146 177.110 175.900 0.106 0.000 1.177 358 Y CA -0.789 57.401 58.100 0.150 0.000 1.216 358 Y CB -1.019 37.534 38.460 0.155 0.000 1.172 358 Y HN -0.181 nan 8.280 nan 0.000 0.529 359 T N -2.013 112.657 114.554 0.194 0.000 2.788 359 T HA 0.143 4.076 4.350 -0.694 0.000 0.287 359 T C 1.262 176.010 174.700 0.080 0.000 1.007 359 T CA 0.007 62.184 62.100 0.129 0.000 1.005 359 T CB 1.436 70.359 68.868 0.092 0.000 1.012 359 T HN 0.252 nan 8.240 nan 0.000 0.530 360 S N -1.805 113.938 115.700 0.072 0.000 2.577 360 S HA 0.155 4.208 4.470 -0.694 0.000 0.219 360 S C 0.050 174.681 174.600 0.051 0.000 0.962 360 S CA -0.542 57.711 58.200 0.088 0.000 0.921 360 S CB -0.524 62.760 63.200 0.139 0.000 0.789 360 S HN 0.790 nan 8.310 nan 0.000 0.497 361 D N 2.905 123.299 120.400 -0.009 0.000 2.424 361 D HA 0.237 4.460 4.640 -0.694 0.000 0.244 361 D C -1.630 174.581 176.300 -0.149 0.000 1.134 361 D CA -1.679 52.298 54.000 -0.038 0.000 0.881 361 D CB 1.151 41.941 40.800 -0.016 0.000 1.191 361 D HN 0.009 nan 8.370 nan 0.000 0.445 362 P HA -0.013 nan 4.420 nan 0.000 0.221 362 P C 0.548 177.800 177.300 -0.079 0.000 1.150 362 P CA 1.022 63.828 63.100 -0.490 0.000 0.800 362 P CB 0.340 31.865 31.700 -0.291 0.000 0.787 363 I N -2.843 117.737 120.570 0.015 0.000 3.570 363 I HA 0.025 3.778 4.170 -0.694 0.000 0.270 363 I C 0.129 176.300 176.117 0.089 0.000 1.162 363 I CA 0.101 61.459 61.300 0.095 0.000 1.413 363 I CB 0.102 38.135 38.000 0.056 0.000 1.437 363 I HN -0.437 nan 8.210 nan 0.000 0.457 364 V N 3.158 123.093 119.914 0.035 0.000 2.475 364 V HA 0.145 3.849 4.120 -0.694 0.000 0.292 364 V C 1.302 177.416 176.094 0.032 0.000 1.003 364 V CA 1.164 63.466 62.300 0.004 0.000 1.120 364 V CB -0.456 31.362 31.823 -0.009 0.000 0.937 364 V HN 0.772 nan 8.190 nan 0.000 0.476 365 G N 3.622 112.398 108.800 -0.039 0.000 2.162 365 G HA2 -0.360 3.184 3.960 -0.694 0.000 0.260 365 G HA3 -0.360 3.184 3.960 -0.694 0.000 0.260 365 G C 0.339 175.424 174.900 0.309 0.000 0.976 365 G CA 0.889 46.009 45.100 0.033 0.000 0.655 365 G HN 0.851 nan 8.290 nan 0.000 0.533 366 Y N 0.409 120.761 120.300 0.086 0.000 2.697 366 Y HA 0.253 4.382 4.550 -0.702 0.000 0.268 366 Y C 2.579 178.630 175.900 0.253 0.000 1.092 366 Y CA 2.178 60.356 58.100 0.131 0.000 1.304 366 Y CB 0.217 38.677 38.460 0.001 0.000 1.446 366 Y HN 0.442 nan 8.280 nan 0.000 0.491 367 T N -2.499 112.134 114.554 0.132 0.000 3.040 367 T HA 0.130 4.064 4.350 -0.694 0.000 0.266 367 T C 0.398 175.136 174.700 0.062 0.000 1.005 367 T CA 0.383 62.511 62.100 0.046 0.000 0.906 367 T CB -0.126 68.777 68.868 0.058 0.000 1.082 367 T HN 0.354 nan 8.240 nan 0.000 0.531 368 D N -0.024 120.392 120.400 0.026 0.000 2.342 368 D HA 0.049 4.273 4.640 -0.694 0.000 0.221 368 D C -0.405 175.846 176.300 -0.083 0.000 1.101 368 D CA -0.610 53.371 54.000 -0.031 0.000 0.837 368 D CB -0.703 40.056 40.800 -0.068 0.000 0.938 368 D HN 0.390 nan 8.370 nan 0.000 0.508 369 Y N 2.149 122.438 120.300 -0.019 0.000 2.359 369 Y HA 0.272 4.407 4.550 -0.692 0.000 0.334 369 Y C -1.647 174.192 175.900 -0.102 0.000 1.058 369 Y CA -2.076 55.993 58.100 -0.050 0.000 1.244 369 Y CB 0.661 39.080 38.460 -0.069 0.000 1.187 369 Y HN -0.046 nan 8.280 nan 0.000 0.510 370 P HA 0.080 nan 4.420 nan 0.000 0.274 370 P C -0.831 176.463 177.300 -0.009 0.000 1.231 370 P CA -0.026 63.117 63.100 0.072 0.000 0.790 370 P CB 0.841 32.590 31.700 0.080 0.000 0.951 371 F N 0.381 120.336 119.950 0.008 0.000 2.370 371 F HA 0.246 4.358 4.527 -0.692 0.000 0.319 371 F C 1.371 177.160 175.800 -0.019 0.000 1.129 371 F CA -0.583 57.407 58.000 -0.017 0.000 1.109 371 F CB 0.204 39.190 39.000 -0.023 0.000 1.262 371 F HN 0.108 nan 8.300 nan 0.000 0.534 372 L N 1.785 123.107 121.223 0.166 0.000 2.525 372 L HA 0.133 4.057 4.340 -0.694 0.000 0.278 372 L C 0.943 177.860 176.870 0.078 0.000 1.218 372 L CA -0.057 54.830 54.840 0.078 0.000 0.878 372 L CB 0.079 42.164 42.059 0.043 0.000 1.127 372 L HN 0.849 nan 8.230 nan 0.000 0.492 373 E N 0.000 120.229 120.200 0.049 0.000 2.725 373 E HA 0.000 3.934 4.350 -0.694 0.000 0.291 373 E CA 0.000 56.421 56.400 0.036 0.000 0.976 373 E CB 0.000 29.714 29.700 0.023 0.000 0.812 373 E HN 0.000 nan 8.360 nan 0.000 0.440