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 2vzy_1_B DATA FIRST_RESID 2 DATA SEQUENCE SRHWPLFDLR ITTPRLQLQL PTEELCDQLI DTILEXXXXX XXXXXXXXXX DATA SEQUENCE XXXXEDLPFN TLSHLWQQLA GFKRDDWSLP LAVLVDGRAV GVQALSSKDF DATA SEQUENCE PITRQVDSGS WLGLRYQGHG YGTEMRAAVL YFAFAELEAQ VATSRSFVDN DATA SEQUENCE PASIAVSRRN GYRDNGLDRV AREGAMAEAL LFRLTRDDWQ RHRTVEVRVD DATA SEQUENCE GFDRCRPLFG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.439 174.600 -0.268 0.000 1.055 2 S CA 0.000 57.856 58.200 -0.574 0.000 1.107 2 S CB 0.000 63.063 63.200 -0.227 0.000 0.593 3 R N 2.687 123.069 120.500 -0.196 0.000 2.328 3 R HA 0.216 4.555 4.340 -0.001 0.000 0.200 3 R C 0.171 176.323 176.300 -0.247 0.000 0.983 3 R CA 0.540 56.511 56.100 -0.214 0.000 1.062 3 R CB -0.397 29.736 30.300 -0.278 0.000 0.956 3 R HN 0.609 nan 8.270 nan 0.000 0.479 4 H N -0.735 118.402 119.070 0.112 0.000 2.674 4 H HA 0.149 4.705 4.556 -0.001 0.000 0.274 4 H C -1.083 174.436 175.328 0.318 0.000 1.121 4 H CA -0.170 55.969 56.048 0.152 0.000 1.132 4 H CB 0.381 30.200 29.762 0.096 0.000 1.606 4 H HN 0.335 nan 8.280 nan 0.000 0.558 5 W N 2.168 123.573 121.300 0.175 0.000 2.934 5 W HA 0.211 4.871 4.660 -0.000 0.000 0.333 5 W C -2.784 173.800 176.519 0.109 0.000 1.035 5 W CA -2.038 55.392 57.345 0.142 0.000 1.256 5 W CB 2.003 31.614 29.460 0.251 0.000 1.306 5 W HN -0.125 nan 8.180 nan 0.000 0.430 6 P HA -0.171 nan 4.420 nan 0.000 0.220 6 P C 1.787 178.826 177.300 -0.435 0.000 1.148 6 P CA 1.306 64.223 63.100 -0.304 0.000 0.803 6 P CB 0.353 31.849 31.700 -0.339 0.000 0.782 7 L N -2.342 118.339 121.223 -0.904 0.000 2.189 7 L HA -0.174 4.166 4.340 -0.001 0.000 0.214 7 L C 2.001 178.585 176.870 -0.476 0.000 1.097 7 L CA 1.328 55.707 54.840 -0.768 0.000 0.764 7 L CB -0.798 40.613 42.059 -1.080 0.000 0.900 7 L HN -0.039 nan 8.230 nan 0.000 0.436 8 F N -0.301 119.520 119.950 -0.215 0.000 2.604 8 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 8 F C 1.897 177.645 175.800 -0.088 0.000 1.131 8 F CA 0.649 58.602 58.000 -0.078 0.000 1.457 8 F CB -0.091 38.913 39.000 0.007 0.000 1.095 8 F HN 0.123 nan 8.300 nan 0.000 0.574 9 D N -0.045 120.372 120.400 0.028 0.000 2.354 9 D HA 0.029 4.668 4.640 -0.001 0.000 0.209 9 D C 0.729 177.014 176.300 -0.026 0.000 1.015 9 D CA 0.196 54.198 54.000 0.003 0.000 0.867 9 D CB -0.045 40.744 40.800 -0.018 0.000 0.933 9 D HN 0.078 nan 8.370 nan 0.000 0.520 10 L N 1.987 123.170 121.223 -0.068 0.000 2.540 10 L HA 0.063 4.403 4.340 -0.001 0.000 0.276 10 L C -0.122 176.697 176.870 -0.087 0.000 1.212 10 L CA 0.556 55.351 54.840 -0.075 0.000 0.893 10 L CB 0.207 42.177 42.059 -0.149 0.000 1.138 10 L HN -0.232 nan 8.230 nan 0.000 0.491 11 R N 6.511 126.971 120.500 -0.067 0.000 2.532 11 R HA 0.546 4.886 4.340 -0.001 0.000 0.297 11 R C -1.202 175.049 176.300 -0.081 0.000 0.984 11 R CA -0.546 55.511 56.100 -0.073 0.000 0.884 11 R CB 1.414 31.690 30.300 -0.040 0.000 1.182 11 R HN 0.658 nan 8.270 nan 0.000 0.442 12 I N 2.065 122.569 120.570 -0.111 0.000 2.406 12 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 12 I C 0.250 176.322 176.117 -0.076 0.000 0.999 12 I CA -0.689 60.560 61.300 -0.086 0.000 1.124 12 I CB 2.250 40.182 38.000 -0.113 0.000 1.289 12 I HN 0.528 nan 8.210 nan 0.000 0.441 13 T N 1.009 115.523 114.554 -0.067 0.000 2.841 13 T HA 0.700 5.050 4.350 -0.001 0.000 0.283 13 T C -0.168 174.489 174.700 -0.071 0.000 1.000 13 T CA -0.687 61.373 62.100 -0.067 0.000 0.977 13 T CB 1.885 70.718 68.868 -0.057 0.000 0.979 13 T HN 0.674 nan 8.240 nan 0.000 0.446 14 T N -0.291 114.229 114.554 -0.056 0.000 2.841 14 T HA 0.627 4.977 4.350 -0.001 0.000 0.276 14 T C -1.902 172.781 174.700 -0.027 0.000 1.003 14 T CA -2.010 60.065 62.100 -0.042 0.000 0.995 14 T CB 0.867 69.726 68.868 -0.016 0.000 1.260 14 T HN 0.256 nan 8.240 nan 0.000 0.581 15 P HA -0.004 nan 4.420 nan 0.000 0.216 15 P C 1.172 178.477 177.300 0.008 0.000 1.153 15 P CA 1.225 64.326 63.100 0.000 0.000 0.858 15 P CB 0.096 31.804 31.700 0.014 0.000 0.789 16 R N -2.188 118.327 120.500 0.025 0.000 2.404 16 R HA 0.311 4.651 4.340 -0.001 0.000 0.237 16 R C 0.423 176.692 176.300 -0.052 0.000 0.907 16 R CA -0.009 56.108 56.100 0.027 0.000 1.063 16 R CB 0.317 30.701 30.300 0.139 0.000 1.134 16 R HN 0.209 nan 8.270 nan 0.000 0.529 17 L N 0.482 121.668 121.223 -0.062 0.000 2.341 17 L HA 0.471 4.811 4.340 -0.001 0.000 0.267 17 L C -0.684 176.124 176.870 -0.103 0.000 1.009 17 L CA -0.954 53.814 54.840 -0.120 0.000 0.819 17 L CB 2.134 44.124 42.059 -0.116 0.000 1.323 17 L HN -0.084 nan 8.230 nan 0.000 0.425 18 Q N 1.873 121.598 119.800 -0.126 0.000 2.337 18 Q HA 0.615 4.954 4.340 -0.001 0.000 0.270 18 Q C -1.990 173.934 176.000 -0.126 0.000 1.043 18 Q CA -0.733 55.005 55.803 -0.108 0.000 0.794 18 Q CB 2.233 30.914 28.738 -0.094 0.000 1.281 18 Q HN 0.445 nan 8.270 nan 0.000 0.446 19 L N 3.949 125.100 121.223 -0.120 0.000 2.346 19 L HA 0.546 4.886 4.340 -0.001 0.000 0.276 19 L C -0.666 176.123 176.870 -0.134 0.000 1.006 19 L CA -0.081 54.677 54.840 -0.136 0.000 0.817 19 L CB 1.873 43.846 42.059 -0.144 0.000 1.272 19 L HN 0.734 nan 8.230 nan 0.000 0.421 20 Q N 1.929 121.657 119.800 -0.121 0.000 2.522 20 Q HA 0.559 4.898 4.340 -0.001 0.000 0.285 20 Q C -1.485 174.466 176.000 -0.082 0.000 0.982 20 Q CA -1.129 54.613 55.803 -0.101 0.000 0.805 20 Q CB 1.828 30.536 28.738 -0.050 0.000 1.457 20 Q HN 0.309 nan 8.270 nan 0.000 0.394 21 L N 2.823 123.991 121.223 -0.091 0.000 2.453 21 L HA 0.301 4.641 4.340 -0.001 0.000 0.272 21 L C -2.227 174.692 176.870 0.082 0.000 1.182 21 L CA -1.077 53.703 54.840 -0.100 0.000 0.858 21 L CB 0.347 42.181 42.059 -0.375 0.000 1.120 21 L HN 0.539 nan 8.230 nan 0.000 0.474 22 P HA 0.143 nan 4.420 nan 0.000 0.276 22 P C -0.610 176.867 177.300 0.294 0.000 1.253 22 P CA -0.400 62.783 63.100 0.139 0.000 0.766 22 P CB 0.234 31.977 31.700 0.071 0.000 0.845 23 T N -0.633 114.052 114.554 0.218 0.000 2.732 23 T HA 0.089 4.438 4.350 -0.001 0.000 0.287 23 T C 1.285 176.026 174.700 0.068 0.000 0.993 23 T CA -0.402 61.773 62.100 0.124 0.000 0.966 23 T CB 0.714 69.594 68.868 0.020 0.000 1.047 23 T HN 0.452 nan 8.240 nan 0.000 0.527 24 E N 0.112 120.330 120.200 0.030 0.000 2.049 24 E HA -0.290 4.059 4.350 -0.001 0.000 0.198 24 E C 1.980 178.590 176.600 0.017 0.000 1.007 24 E CA 1.804 58.225 56.400 0.035 0.000 0.809 24 E CB -0.207 29.520 29.700 0.045 0.000 0.749 24 E HN 0.772 nan 8.360 nan 0.000 0.450 25 E N 0.669 120.876 120.200 0.011 0.000 2.058 25 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 25 E C 2.144 178.747 176.600 0.007 0.000 0.997 25 E CA 1.410 57.814 56.400 0.008 0.000 0.801 25 E CB -0.409 29.292 29.700 0.001 0.000 0.746 25 E HN 0.416 nan 8.360 nan 0.000 0.450 26 L N -0.410 120.818 121.223 0.009 0.000 2.093 26 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 26 L C 2.666 179.542 176.870 0.011 0.000 1.085 26 L CA 1.057 55.900 54.840 0.005 0.000 0.755 26 L CB -0.499 41.563 42.059 0.006 0.000 0.904 26 L HN 0.282 nan 8.230 nan 0.000 0.435 27 C N -0.033 119.272 119.300 0.008 0.000 2.413 27 C HA -0.172 4.288 4.460 -0.001 0.000 0.276 27 C C 2.445 177.432 174.990 -0.006 0.000 1.248 27 C CA 0.674 59.685 59.018 -0.012 0.000 1.742 27 C CB -0.774 26.913 27.740 -0.087 0.000 2.017 27 C HN 0.547 nan 8.230 nan 0.000 0.481 28 D N 0.215 120.610 120.400 -0.007 0.000 2.144 28 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 28 D C 2.325 178.641 176.300 0.026 0.000 0.984 28 D CA 1.143 55.146 54.000 0.005 0.000 0.834 28 D CB -0.510 40.297 40.800 0.010 0.000 0.955 28 D HN 0.624 nan 8.370 nan 0.000 0.465 29 Q N -0.024 119.792 119.800 0.026 0.000 2.084 29 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 29 Q C 2.505 178.549 176.000 0.073 0.000 0.978 29 Q CA 0.614 56.438 55.803 0.036 0.000 0.844 29 Q CB -0.070 28.673 28.738 0.008 0.000 0.898 29 Q HN 0.310 nan 8.270 nan 0.000 0.426 30 L N 0.328 121.605 121.223 0.090 0.000 2.042 30 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 30 L C 2.296 179.303 176.870 0.229 0.000 1.076 30 L CA 1.101 56.068 54.840 0.211 0.000 0.749 30 L CB -0.387 41.815 42.059 0.238 0.000 0.893 30 L HN 0.262 nan 8.230 nan 0.000 0.432 31 I N -0.475 120.161 120.570 0.111 0.000 2.252 31 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 31 I C 2.126 178.278 176.117 0.059 0.000 1.102 31 I CA 1.072 62.404 61.300 0.054 0.000 1.385 31 I CB -0.462 37.545 38.000 0.012 0.000 1.064 31 I HN 0.249 nan 8.210 nan 0.000 0.414 32 D N 0.692 121.133 120.400 0.068 0.000 2.133 32 D HA -0.189 4.451 4.640 -0.001 0.000 0.192 32 D C 2.207 178.569 176.300 0.104 0.000 1.001 32 D CA 1.932 55.975 54.000 0.072 0.000 0.844 32 D CB -0.561 40.281 40.800 0.069 0.000 0.944 32 D HN 0.283 nan 8.370 nan 0.000 0.447 33 T N 0.926 115.576 114.554 0.159 0.000 2.746 33 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 33 T C 2.244 177.059 174.700 0.191 0.000 1.039 33 T CA 0.611 62.853 62.100 0.238 0.000 1.142 33 T CB -0.231 68.842 68.868 0.342 0.000 0.866 33 T HN 0.170 nan 8.240 nan 0.000 0.444 34 I N 0.852 121.489 120.570 0.113 0.000 2.286 34 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 34 I C 1.863 177.965 176.117 -0.026 0.000 1.115 34 I CA 1.121 62.389 61.300 -0.053 0.000 1.392 34 I CB -0.371 37.499 38.000 -0.218 0.000 1.065 34 I HN 0.196 nan 8.210 nan 0.000 0.418 35 L N 0.469 121.695 121.223 0.005 0.000 2.633 35 L HA -0.055 4.284 4.340 -0.001 0.000 0.235 35 L C 0.650 177.531 176.870 0.019 0.000 1.163 35 L CA 0.506 55.349 54.840 0.005 0.000 0.859 35 L CB -0.686 41.380 42.059 0.013 0.000 0.973 35 L HN 0.317 nan 8.230 nan 0.000 0.451 57 D N 0.822 121.246 120.400 0.040 0.000 2.333 57 D HA 0.008 4.648 4.640 -0.001 0.000 0.208 57 D C 1.703 178.051 176.300 0.081 0.000 0.984 57 D CA 0.232 54.276 54.000 0.074 0.000 0.873 57 D CB 0.345 41.181 40.800 0.060 0.000 0.935 57 D HN 0.034 nan 8.370 nan 0.000 0.521 58 L N 1.214 122.457 121.223 0.033 0.000 2.017 58 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 58 L C -0.944 175.928 176.870 0.002 0.000 1.073 58 L CA 1.987 56.825 54.840 -0.003 0.000 0.745 58 L CB -1.448 40.590 42.059 -0.034 0.000 0.894 58 L HN -0.038 nan 8.230 nan 0.000 0.432 59 P HA -0.232 nan 4.420 nan 0.000 0.214 59 P C 1.779 179.110 177.300 0.052 0.000 1.163 59 P CA 1.584 64.702 63.100 0.031 0.000 0.883 59 P CB -0.268 31.467 31.700 0.059 0.000 0.788 60 F N 0.555 120.505 119.950 -0.000 0.000 2.146 60 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 60 F C 1.783 177.602 175.800 0.033 0.000 1.096 60 F CA 1.434 59.453 58.000 0.030 0.000 1.275 60 F CB -0.815 38.226 39.000 0.069 0.000 1.008 60 F HN -0.186 nan 8.300 nan 0.000 0.480 61 N N -0.072 118.634 118.700 0.011 0.000 2.149 61 N HA -0.159 4.580 4.740 -0.001 0.000 0.188 61 N C 1.818 177.244 175.510 -0.140 0.000 1.019 61 N CA 2.022 55.026 53.050 -0.077 0.000 0.857 61 N CB -0.989 37.498 38.487 -0.001 0.000 0.997 61 N HN 0.309 nan 8.380 nan 0.000 0.426 62 T N 1.875 116.351 114.554 -0.130 0.000 2.701 62 T HA 0.028 4.378 4.350 -0.001 0.000 0.263 62 T C 2.171 176.760 174.700 -0.186 0.000 1.040 62 T CA 0.558 62.589 62.100 -0.115 0.000 1.147 62 T CB -0.328 68.480 68.868 -0.100 0.000 0.865 62 T HN 0.113 nan 8.240 nan 0.000 0.426 63 L N 0.858 121.876 121.223 -0.340 0.000 2.013 63 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 63 L C 2.903 179.396 176.870 -0.628 0.000 1.073 63 L CA 1.353 55.791 54.840 -0.670 0.000 0.753 63 L CB -0.669 40.896 42.059 -0.823 0.000 0.890 63 L HN 0.290 nan 8.230 nan 0.000 0.432 64 S N -1.187 114.220 115.700 -0.488 0.000 2.368 64 S HA -0.285 4.185 4.470 -0.001 0.000 0.225 64 S C 2.032 176.638 174.600 0.010 0.000 1.030 64 S CA 1.654 59.729 58.200 -0.208 0.000 0.999 64 S CB -0.266 62.635 63.200 -0.498 0.000 0.844 64 S HN 0.582 nan 8.310 nan 0.000 0.459 65 H N 0.803 119.805 119.070 -0.112 0.000 2.321 65 H HA 0.086 4.642 4.556 -0.001 0.000 0.300 65 H C 1.931 177.266 175.328 0.011 0.000 1.087 65 H CA 2.028 58.060 56.048 -0.026 0.000 1.319 65 H CB -0.400 29.342 29.762 -0.032 0.000 1.379 65 H HN 0.352 nan 8.280 nan 0.000 0.501 66 L N -1.123 120.071 121.223 -0.048 0.000 2.017 66 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 66 L C 2.365 179.239 176.870 0.008 0.000 1.073 66 L CA 0.951 55.746 54.840 -0.075 0.000 0.745 66 L CB -0.554 41.446 42.059 -0.099 0.000 0.894 66 L HN 0.417 nan 8.230 nan 0.000 0.432 67 W N 0.758 122.047 121.300 -0.019 0.000 2.318 67 W HA -0.214 4.446 4.660 -0.001 0.000 0.313 67 W C 2.683 179.185 176.519 -0.028 0.000 1.221 67 W CA 1.218 58.557 57.345 -0.009 0.000 1.266 67 W CB -0.921 28.526 29.460 -0.022 0.000 1.150 67 W HN 0.329 nan 8.180 nan 0.000 0.496 68 Q N -0.380 119.532 119.800 0.186 0.000 2.170 68 Q HA -0.215 4.125 4.340 -0.001 0.000 0.203 68 Q C 2.219 178.238 176.000 0.032 0.000 0.976 68 Q CA 1.445 57.297 55.803 0.081 0.000 0.858 68 Q CB -0.346 28.419 28.738 0.045 0.000 0.907 68 Q HN 0.446 nan 8.270 nan 0.000 0.433 69 Q N 0.107 119.891 119.800 -0.027 0.000 2.083 69 Q HA -0.102 4.237 4.340 -0.001 0.000 0.198 69 Q C 2.167 178.228 176.000 0.101 0.000 0.969 69 Q CA 0.870 56.668 55.803 -0.009 0.000 0.838 69 Q CB 0.019 28.705 28.738 -0.088 0.000 0.900 69 Q HN 0.378 nan 8.270 nan 0.000 0.436 70 L N 0.098 121.392 121.223 0.119 0.000 2.046 70 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 70 L C 2.462 179.393 176.870 0.101 0.000 1.077 70 L CA 1.103 56.033 54.840 0.151 0.000 0.747 70 L CB -0.560 41.622 42.059 0.204 0.000 0.896 70 L HN 0.206 nan 8.230 nan 0.000 0.432 71 A N -0.094 122.772 122.820 0.077 0.000 2.015 71 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 71 A C 2.200 179.800 177.584 0.027 0.000 1.163 71 A CA 1.479 53.522 52.037 0.011 0.000 0.646 71 A CB -0.817 18.191 19.000 0.014 0.000 0.806 71 A HN 0.455 nan 8.150 nan 0.000 0.448 72 G N -1.947 106.899 108.800 0.077 0.000 3.042 72 G HA2 0.235 4.195 3.960 -0.001 0.000 0.212 72 G HA3 0.235 4.195 3.960 -0.001 0.000 0.212 72 G C 0.277 175.248 174.900 0.118 0.000 1.166 72 G CA -0.431 44.712 45.100 0.072 0.000 0.767 72 G HN 0.367 nan 8.290 nan 0.000 0.546 73 F N 2.099 122.089 119.950 0.067 0.000 2.593 73 F HA 0.294 4.820 4.527 -0.001 0.000 0.393 73 F C 0.511 176.386 175.800 0.125 0.000 1.037 73 F CA 0.453 58.543 58.000 0.150 0.000 1.195 73 F CB 0.401 39.531 39.000 0.218 0.000 1.034 73 F HN -0.135 nan 8.300 nan 0.000 0.552 74 K N 5.882 126.122 120.400 -0.265 0.000 2.469 74 K HA 0.223 4.542 4.320 -0.001 0.000 0.254 74 K C 0.630 177.112 176.600 -0.196 0.000 0.939 74 K CA -1.037 55.204 56.287 -0.077 0.000 0.812 74 K CB 2.189 34.684 32.500 -0.008 0.000 1.301 74 K HN 0.602 nan 8.250 nan 0.000 0.433 75 R N 1.041 121.562 120.500 0.035 0.000 2.133 75 R HA -0.195 4.145 4.340 -0.001 0.000 0.247 75 R C 0.108 176.548 176.300 0.232 0.000 1.151 75 R CA 2.130 58.323 56.100 0.156 0.000 0.971 75 R CB 0.107 30.511 30.300 0.173 0.000 0.866 75 R HN 0.566 nan 8.270 nan 0.000 0.447 76 D N -0.528 119.935 120.400 0.104 0.000 2.340 76 D HA 0.056 4.695 4.640 -0.001 0.000 0.217 76 D C -0.689 175.583 176.300 -0.046 0.000 1.081 76 D CA 0.457 54.489 54.000 0.054 0.000 0.842 76 D CB 0.498 41.320 40.800 0.037 0.000 0.934 76 D HN 0.161 nan 8.370 nan 0.000 0.511 77 D N 0.762 121.105 120.400 -0.095 0.000 2.296 77 D HA 0.044 4.684 4.640 -0.001 0.000 0.224 77 D C -1.334 174.853 176.300 -0.189 0.000 1.324 77 D CA -0.625 53.262 54.000 -0.189 0.000 0.940 77 D CB 0.253 40.991 40.800 -0.104 0.000 1.492 77 D HN 0.004 nan 8.370 nan 0.000 0.531 78 W N 1.755 122.899 121.300 -0.260 0.000 2.962 78 W HA 0.780 5.440 4.660 -0.001 0.000 0.341 78 W C -1.296 175.164 176.519 -0.098 0.000 1.155 78 W CA -1.237 55.891 57.345 -0.361 0.000 1.165 78 W CB 1.384 30.308 29.460 -0.894 0.000 1.435 78 W HN 0.253 nan 8.180 nan 0.000 0.546 79 S N 1.834 117.760 115.700 0.376 0.000 2.614 79 S HA 0.626 5.096 4.470 -0.001 0.000 0.288 79 S C -1.283 173.571 174.600 0.422 0.000 1.137 79 S CA -0.662 57.736 58.200 0.331 0.000 0.992 79 S CB 0.839 64.124 63.200 0.142 0.000 1.026 79 S HN 0.478 nan 8.310 nan 0.000 0.486 80 L N 6.566 128.038 121.223 0.416 0.000 2.313 80 L HA 0.438 4.777 4.340 -0.001 0.000 0.273 80 L C -2.256 174.692 176.870 0.129 0.000 1.028 80 L CA -1.924 53.070 54.840 0.258 0.000 0.871 80 L CB 1.715 43.907 42.059 0.222 0.000 1.242 80 L HN 0.483 nan 8.230 nan 0.000 0.434 81 P HA 0.189 nan 4.420 nan 0.000 0.274 81 P C -0.664 176.632 177.300 -0.006 0.000 1.470 81 P CA -0.142 62.992 63.100 0.057 0.000 1.001 81 P CB 0.473 32.219 31.700 0.077 0.000 1.332 82 L N 2.969 124.164 121.223 -0.048 0.000 2.265 82 L HA 0.471 4.810 4.340 -0.001 0.000 0.288 82 L C 1.090 177.885 176.870 -0.126 0.000 1.058 82 L CA -0.923 53.858 54.840 -0.098 0.000 0.809 82 L CB 0.901 42.878 42.059 -0.136 0.000 1.179 82 L HN 0.288 nan 8.230 nan 0.000 0.429 83 A N 4.098 126.852 122.820 -0.111 0.000 2.540 83 A HA 0.355 4.675 4.320 -0.001 0.000 0.239 83 A C -0.042 177.431 177.584 -0.185 0.000 1.061 83 A CA -0.130 51.819 52.037 -0.146 0.000 0.758 83 A CB 0.162 19.107 19.000 -0.091 0.000 0.991 83 A HN 0.463 nan 8.150 nan 0.000 0.502 84 V N 4.352 124.113 119.914 -0.254 0.000 2.347 84 V HA 0.325 4.445 4.120 -0.001 0.000 0.280 84 V C -0.474 175.445 176.094 -0.291 0.000 1.021 84 V CA -0.311 61.832 62.300 -0.262 0.000 0.847 84 V CB 0.914 32.560 31.823 -0.294 0.000 0.990 84 V HN 0.687 nan 8.190 nan 0.000 0.444 85 L N 6.116 127.188 121.223 -0.253 0.000 2.296 85 L HA 0.602 4.942 4.340 -0.001 0.000 0.286 85 L C -0.227 176.462 176.870 -0.302 0.000 1.023 85 L CA -0.051 54.638 54.840 -0.253 0.000 0.812 85 L CB 1.940 43.897 42.059 -0.171 0.000 1.223 85 L HN 0.394 nan 8.230 nan 0.000 0.421 86 V N 2.836 122.528 119.914 -0.371 0.000 2.407 86 V HA 0.345 4.465 4.120 -0.001 0.000 0.291 86 V C -0.455 175.500 176.094 -0.232 0.000 1.018 86 V CA -0.780 61.294 62.300 -0.377 0.000 0.842 86 V CB 1.409 32.858 31.823 -0.623 0.000 0.996 86 V HN 0.817 nan 8.190 nan 0.000 0.426 87 D N 4.402 124.713 120.400 -0.148 0.000 2.751 87 D HA -0.221 4.419 4.640 -0.001 0.000 0.233 87 D C 1.354 177.603 176.300 -0.085 0.000 1.149 87 D CA 1.711 55.658 54.000 -0.087 0.000 0.682 87 D CB -1.065 39.703 40.800 -0.054 0.000 1.068 87 D HN 1.379 nan 8.370 nan 0.000 0.429 88 G N -0.798 107.941 108.800 -0.103 0.000 2.320 88 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.242 88 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.242 88 G C 0.311 175.151 174.900 -0.099 0.000 1.033 88 G CA 0.249 45.297 45.100 -0.085 0.000 0.620 88 G HN 0.376 nan 8.290 nan 0.000 0.517 89 R N 1.254 121.677 120.500 -0.127 0.000 2.347 89 R HA 0.630 4.969 4.340 -0.001 0.000 0.304 89 R C 0.525 176.694 176.300 -0.217 0.000 1.072 89 R CA 0.121 56.135 56.100 -0.144 0.000 0.980 89 R CB 0.308 30.519 30.300 -0.149 0.000 0.986 89 R HN 0.870 nan 8.270 nan 0.000 0.448 90 A N 3.008 125.730 122.820 -0.163 0.000 2.438 90 A HA 0.224 4.543 4.320 -0.001 0.000 0.280 90 A C 1.256 178.692 177.584 -0.247 0.000 1.160 90 A CA -0.461 51.462 52.037 -0.189 0.000 0.821 90 A CB 0.037 18.976 19.000 -0.102 0.000 1.101 90 A HN 0.699 nan 8.150 nan 0.000 0.515 91 V N 0.925 120.593 119.914 -0.409 0.000 3.643 91 V HA 0.641 4.760 4.120 -0.001 0.000 0.280 91 V C 0.685 176.546 176.094 -0.388 0.000 1.351 91 V CA 0.734 62.706 62.300 -0.546 0.000 1.073 91 V CB -0.656 30.552 31.823 -1.025 0.000 0.863 91 V HN 1.586 nan 8.190 nan 0.000 0.436 92 G N -0.841 107.597 108.800 -0.603 0.000 2.320 92 G HA2 0.494 4.454 3.960 -0.001 0.000 0.296 92 G HA3 0.494 4.454 3.960 -0.001 0.000 0.296 92 G C -1.910 172.378 174.900 -1.020 0.000 1.306 92 G CA 0.059 44.469 45.100 -1.150 0.000 0.836 92 G HN 0.470 nan 8.290 nan 0.000 0.517 93 V N 0.262 119.447 119.914 -1.215 0.000 2.638 93 V HA 0.673 4.793 4.120 -0.001 0.000 0.306 93 V C -0.704 175.157 176.094 -0.390 0.000 1.052 93 V CA -0.596 61.319 62.300 -0.641 0.000 0.885 93 V CB 1.753 33.311 31.823 -0.441 0.000 0.999 93 V HN 0.874 nan 8.190 nan 0.000 0.424 94 Q N 3.527 123.200 119.800 -0.212 0.000 2.381 94 Q HA 0.742 5.082 4.340 -0.001 0.000 0.263 94 Q C -0.470 175.505 176.000 -0.042 0.000 1.030 94 Q CA -0.093 55.648 55.803 -0.103 0.000 0.772 94 Q CB 1.564 30.250 28.738 -0.087 0.000 1.232 94 Q HN 0.981 nan 8.270 nan 0.000 0.476 95 A N 3.536 126.364 122.820 0.014 0.000 2.304 95 A HA 0.754 5.073 4.320 -0.001 0.000 0.301 95 A C -1.349 176.285 177.584 0.084 0.000 1.132 95 A CA -0.534 51.542 52.037 0.064 0.000 0.819 95 A CB 0.760 19.823 19.000 0.104 0.000 1.094 95 A HN 0.702 nan 8.150 nan 0.000 0.492 96 L N 1.481 122.790 121.223 0.144 0.000 2.381 96 L HA 0.768 5.107 4.340 -0.001 0.000 0.268 96 L C 0.016 177.056 176.870 0.283 0.000 0.997 96 L CA 0.415 55.373 54.840 0.195 0.000 0.818 96 L CB 2.250 44.462 42.059 0.256 0.000 1.310 96 L HN 1.030 nan 8.230 nan 0.000 0.416 97 S N 1.833 117.563 115.700 0.050 0.000 2.570 97 S HA 0.911 5.381 4.470 -0.001 0.000 0.270 97 S C -1.079 173.084 174.600 -0.729 0.000 1.149 97 S CA -0.555 57.497 58.200 -0.246 0.000 0.837 97 S CB 1.724 64.867 63.200 -0.096 0.000 1.124 97 S HN 0.840 nan 8.310 nan 0.000 0.465 98 S N 0.333 115.303 115.700 -1.216 0.000 2.563 98 S HA 0.457 4.926 4.470 -0.001 0.000 0.279 98 S C -1.759 172.400 174.600 -0.735 0.000 1.155 98 S CA -0.725 56.942 58.200 -0.887 0.000 0.928 98 S CB 1.335 63.994 63.200 -0.901 0.000 1.107 98 S HN 0.913 nan 8.310 nan 0.000 0.462 99 K N 2.485 122.672 120.400 -0.354 0.000 2.201 99 K HA 0.296 4.616 4.320 -0.001 0.000 0.278 99 K C -0.648 175.884 176.600 -0.113 0.000 1.027 99 K CA -0.131 56.027 56.287 -0.215 0.000 0.909 99 K CB 0.351 32.770 32.500 -0.134 0.000 1.062 99 K HN 0.743 nan 8.250 nan 0.000 0.465 100 D N 3.624 123.988 120.400 -0.059 0.000 2.772 100 D HA -0.241 4.399 4.640 -0.001 0.000 0.233 100 D C 0.482 176.814 176.300 0.054 0.000 1.143 100 D CA 0.653 54.656 54.000 0.005 0.000 0.700 100 D CB -1.228 39.562 40.800 -0.017 0.000 1.076 100 D HN 0.591 nan 8.370 nan 0.000 0.430 101 F N 0.939 120.865 119.950 -0.039 0.000 2.115 101 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 101 F C -0.768 175.080 175.800 0.081 0.000 1.092 101 F CA 1.765 59.790 58.000 0.042 0.000 1.245 101 F CB -1.018 38.125 39.000 0.237 0.000 0.995 101 F HN 0.121 nan 8.300 nan 0.000 0.481 102 P HA -0.146 nan 4.420 nan 0.000 0.219 102 P C 1.732 178.934 177.300 -0.164 0.000 1.146 102 P CA 1.746 64.791 63.100 -0.090 0.000 0.808 102 P CB -0.044 31.696 31.700 0.067 0.000 0.779 103 I N -1.553 118.945 120.570 -0.119 0.000 2.512 103 I HA -0.093 4.076 4.170 -0.001 0.000 0.247 103 I C 2.267 178.301 176.117 -0.138 0.000 1.094 103 I CA 1.693 62.932 61.300 -0.101 0.000 1.427 103 I CB -0.984 36.986 38.000 -0.049 0.000 1.149 103 I HN 0.013 nan 8.210 nan 0.000 0.438 104 T N -1.800 112.670 114.554 -0.140 0.000 2.942 104 T HA -0.011 4.339 4.350 -0.001 0.000 0.265 104 T C 1.203 175.797 174.700 -0.176 0.000 1.062 104 T CA 0.117 62.149 62.100 -0.113 0.000 1.139 104 T CB -0.151 68.685 68.868 -0.054 0.000 0.883 104 T HN 0.258 nan 8.240 nan 0.000 0.468 105 R N 0.929 121.186 120.500 -0.406 0.000 3.641 105 R HA -0.161 4.178 4.340 -0.001 0.000 0.286 105 R C -0.078 176.182 176.300 -0.067 0.000 1.153 105 R CA 0.790 56.547 56.100 -0.572 0.000 0.775 105 R CB -2.172 27.898 30.300 -0.384 0.000 1.215 105 R HN 0.744 nan 8.270 nan 0.000 0.474 106 Q N 0.820 120.678 119.800 0.098 0.000 2.353 106 Q HA 0.573 4.912 4.340 -0.001 0.000 0.268 106 Q C -0.564 175.535 176.000 0.164 0.000 1.045 106 Q CA -0.789 55.088 55.803 0.122 0.000 0.811 106 Q CB 2.210 30.974 28.738 0.044 0.000 1.305 106 Q HN 0.172 nan 8.270 nan 0.000 0.447 107 V N -0.239 119.697 119.914 0.037 0.000 2.960 107 V HA 0.737 4.856 4.120 -0.001 0.000 0.315 107 V C -1.184 174.878 176.094 -0.054 0.000 1.087 107 V CA -0.823 61.429 62.300 -0.080 0.000 0.982 107 V CB 2.065 33.795 31.823 -0.154 0.000 1.039 107 V HN 0.891 nan 8.190 nan 0.000 0.437 108 D N 0.833 121.190 120.400 -0.071 0.000 2.527 108 D HA 0.788 5.428 4.640 -0.001 0.000 0.233 108 D C -0.551 175.756 176.300 0.012 0.000 1.063 108 D CA 0.094 54.087 54.000 -0.011 0.000 0.880 108 D CB 2.460 43.239 40.800 -0.034 0.000 1.457 108 D HN 1.187 nan 8.370 nan 0.000 0.475 109 S N 0.725 116.454 115.700 0.048 0.000 2.599 109 S HA 0.953 5.422 4.470 -0.001 0.000 0.287 109 S C -0.210 174.412 174.600 0.037 0.000 1.105 109 S CA -0.768 57.464 58.200 0.053 0.000 0.899 109 S CB 1.897 65.143 63.200 0.076 0.000 1.100 109 S HN 0.613 nan 8.310 nan 0.000 0.482 110 G N 0.059 108.887 108.800 0.047 0.000 2.690 110 G HA2 0.767 4.727 3.960 -0.001 0.000 0.291 110 G HA3 0.767 4.727 3.960 -0.001 0.000 0.291 110 G C -1.086 173.854 174.900 0.067 0.000 1.403 110 G CA -0.377 44.754 45.100 0.051 0.000 0.864 110 G HN 1.729 nan 8.290 nan 0.000 0.480 111 S N -0.524 115.230 115.700 0.091 0.000 2.587 111 S HA 0.827 5.296 4.470 -0.001 0.000 0.269 111 S C -1.452 173.267 174.600 0.198 0.000 1.154 111 S CA -0.971 57.269 58.200 0.066 0.000 0.824 111 S CB 1.618 64.817 63.200 -0.002 0.000 1.118 111 S HN 1.763 nan 8.310 nan 0.000 0.462 112 W N 0.505 121.834 121.300 0.048 0.000 3.118 112 W HA 0.826 5.486 4.660 -0.001 0.000 0.328 112 W C -2.759 173.800 176.519 0.065 0.000 1.239 112 W CA -1.095 56.285 57.345 0.058 0.000 1.176 112 W CB 1.197 30.690 29.460 0.055 0.000 1.433 112 W HN 0.824 nan 8.180 nan 0.000 0.562 113 L N 2.395 123.835 121.223 0.363 0.000 2.436 113 L HA 0.698 5.038 4.340 -0.001 0.000 0.268 113 L C 0.321 177.475 176.870 0.473 0.000 0.974 113 L CA -0.173 54.799 54.840 0.220 0.000 0.826 113 L CB 1.700 43.868 42.059 0.181 0.000 1.291 113 L HN 0.739 nan 8.230 nan 0.000 0.406 114 G N 3.747 112.863 108.800 0.527 0.000 2.484 114 G HA2 0.192 4.152 3.960 -0.001 0.000 0.235 114 G HA3 0.192 4.152 3.960 -0.001 0.000 0.235 114 G C 0.908 176.019 174.900 0.352 0.000 1.282 114 G CA -0.160 45.263 45.100 0.539 0.000 0.857 114 G HN 0.853 nan 8.290 nan 0.000 0.571 115 L N 1.179 122.525 121.223 0.206 0.000 1.990 115 L HA -0.187 4.153 4.340 -0.001 0.000 0.213 115 L C 3.141 180.035 176.870 0.041 0.000 1.072 115 L CA 2.196 57.103 54.840 0.110 0.000 0.755 115 L CB -0.193 41.902 42.059 0.060 0.000 0.889 115 L HN 0.807 nan 8.230 nan 0.000 0.432 116 R N -1.330 119.102 120.500 -0.114 0.000 2.316 116 R HA -0.147 4.193 4.340 -0.001 0.000 0.202 116 R C 1.104 177.174 176.300 -0.382 0.000 1.029 116 R CA 1.062 56.998 56.100 -0.274 0.000 1.018 116 R CB -0.358 29.722 30.300 -0.367 0.000 0.888 116 R HN 0.355 nan 8.270 nan 0.000 0.471 117 Y N 0.973 121.377 120.300 0.174 0.000 2.458 117 Y HA 0.272 4.822 4.550 -0.001 0.000 0.256 117 Y C 0.458 176.566 175.900 0.346 0.000 1.159 117 Y CA -0.529 57.715 58.100 0.240 0.000 1.261 117 Y CB 0.200 38.789 38.460 0.215 0.000 1.119 117 Y HN 0.058 nan 8.280 nan 0.000 0.524 118 Q N -0.182 119.821 119.800 0.340 0.000 2.368 118 Q HA 0.402 4.741 4.340 -0.001 0.000 0.237 118 Q C 1.102 177.203 176.000 0.169 0.000 0.987 118 Q CA 0.556 56.502 55.803 0.240 0.000 0.896 118 Q CB 0.814 29.647 28.738 0.158 0.000 1.241 118 Q HN 0.527 nan 8.270 nan 0.000 0.485 119 G N 1.032 109.850 108.800 0.030 0.000 2.143 119 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.249 119 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.249 119 G C 0.031 174.714 174.900 -0.361 0.000 0.981 119 G CA 0.434 45.447 45.100 -0.145 0.000 0.665 119 G HN 0.810 nan 8.290 nan 0.000 0.528 120 H N -0.921 118.012 119.070 -0.227 0.000 2.674 120 H HA 0.444 5.000 4.556 -0.000 0.000 0.274 120 H C 1.929 176.962 175.328 -0.491 0.000 1.121 120 H CA 0.659 56.448 56.048 -0.431 0.000 1.132 120 H CB 0.788 30.107 29.762 -0.738 0.000 1.606 120 H HN 1.178 nan 8.280 nan 0.000 0.558 121 G N 0.277 108.963 108.800 -0.191 0.000 2.162 121 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.260 121 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.260 121 G C 0.570 175.469 174.900 -0.002 0.000 0.976 121 G CA 0.667 45.713 45.100 -0.091 0.000 0.655 121 G HN 0.387 nan 8.290 nan 0.000 0.533 122 Y N 0.497 120.849 120.300 0.086 0.000 2.242 122 Y HA 0.104 4.654 4.550 -0.000 0.000 0.291 122 Y C 2.903 178.819 175.900 0.026 0.000 1.137 122 Y CA 1.275 59.403 58.100 0.046 0.000 1.181 122 Y CB -1.037 37.448 38.460 0.041 0.000 0.989 122 Y HN 0.249 nan 8.280 nan 0.000 0.527 123 G N -1.288 107.615 108.800 0.172 0.000 2.440 123 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 123 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 123 G C 1.916 176.861 174.900 0.076 0.000 1.154 123 G CA 1.719 46.878 45.100 0.099 0.000 0.767 123 G HN 0.396 nan 8.290 nan 0.000 0.552 124 T N -0.407 114.192 114.554 0.074 0.000 2.857 124 T HA -0.028 4.321 4.350 -0.001 0.000 0.266 124 T C 2.152 176.909 174.700 0.094 0.000 1.048 124 T CA 1.723 63.867 62.100 0.074 0.000 1.139 124 T CB -0.175 68.726 68.868 0.056 0.000 0.874 124 T HN 0.487 nan 8.240 nan 0.000 0.455 125 E N 0.522 120.783 120.200 0.101 0.000 2.077 125 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 125 E C 2.358 179.007 176.600 0.081 0.000 0.989 125 E CA 1.513 57.972 56.400 0.099 0.000 0.800 125 E CB -0.172 29.602 29.700 0.124 0.000 0.746 125 E HN 0.716 nan 8.360 nan 0.000 0.452 126 M N -0.506 119.135 119.600 0.069 0.000 2.159 126 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 126 M C 2.217 178.549 176.300 0.053 0.000 1.063 126 M CA 1.456 56.773 55.300 0.028 0.000 1.110 126 M CB -0.312 32.278 32.600 -0.017 0.000 1.374 126 M HN -0.139 nan 8.290 nan 0.000 0.411 127 R N 1.174 121.724 120.500 0.083 0.000 2.075 127 R HA 0.052 4.392 4.340 -0.001 0.000 0.232 127 R C 2.454 178.864 176.300 0.183 0.000 1.126 127 R CA 2.009 58.186 56.100 0.129 0.000 0.963 127 R CB -0.864 29.523 30.300 0.145 0.000 0.858 127 R HN 0.575 nan 8.270 nan 0.000 0.435 128 A N 0.242 123.175 122.820 0.189 0.000 1.908 128 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 128 A C 2.334 180.073 177.584 0.257 0.000 1.181 128 A CA 1.873 54.062 52.037 0.252 0.000 0.627 128 A CB -1.076 18.038 19.000 0.189 0.000 0.818 128 A HN 0.479 nan 8.150 nan 0.000 0.445 129 A N -0.051 122.863 122.820 0.156 0.000 1.851 129 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 129 A C 2.357 180.038 177.584 0.161 0.000 1.195 129 A CA 2.756 54.864 52.037 0.120 0.000 0.622 129 A CB -1.364 17.655 19.000 0.031 0.000 0.831 129 A HN 1.175 nan 8.150 nan 0.000 0.444 130 V N -2.136 117.847 119.914 0.114 0.000 2.548 130 V HA -0.104 4.015 4.120 -0.001 0.000 0.249 130 V C 2.293 178.443 176.094 0.092 0.000 1.055 130 V CA 1.647 64.007 62.300 0.100 0.000 1.065 130 V CB -0.986 30.870 31.823 0.056 0.000 0.681 130 V HN 0.440 nan 8.190 nan 0.000 0.462 131 L N -0.999 120.292 121.223 0.113 0.000 2.046 131 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 131 L C 2.663 179.471 176.870 -0.104 0.000 1.077 131 L CA 2.515 57.355 54.840 0.000 0.000 0.747 131 L CB -0.759 41.442 42.059 0.237 0.000 0.896 131 L HN 0.438 nan 8.230 nan 0.000 0.432 132 Y N 0.045 120.409 120.300 0.106 0.000 2.128 132 Y HA -0.366 4.183 4.550 -0.001 0.000 0.284 132 Y C 2.484 178.343 175.900 -0.067 0.000 1.154 132 Y CA 1.771 59.961 58.100 0.149 0.000 1.149 132 Y CB -0.381 38.259 38.460 0.300 0.000 0.976 132 Y HN 0.093 nan 8.280 nan 0.000 0.505 133 F N 0.668 120.572 119.950 -0.076 0.000 2.095 133 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 133 F C 2.330 177.814 175.800 -0.527 0.000 1.104 133 F CA 1.792 59.605 58.000 -0.311 0.000 1.232 133 F CB -1.045 37.805 39.000 -0.250 0.000 0.987 133 F HN 0.108 nan 8.300 nan 0.000 0.475 134 A N -0.148 122.335 122.820 -0.562 0.000 1.877 134 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 134 A C 2.089 179.170 177.584 -0.838 0.000 1.186 134 A CA 1.979 53.550 52.037 -0.777 0.000 0.620 134 A CB -1.404 17.153 19.000 -0.740 0.000 0.822 134 A HN 0.417 nan 8.150 nan 0.000 0.443 135 F N -0.533 118.966 119.950 -0.752 0.000 2.179 135 F HA 0.181 4.708 4.527 -0.000 0.000 0.292 135 F C 2.771 178.172 175.800 -0.664 0.000 1.089 135 F CA 0.858 58.372 58.000 -0.810 0.000 1.295 135 F CB -0.629 37.467 39.000 -1.506 0.000 1.041 135 F HN 0.232 nan 8.300 nan 0.000 0.487 136 A N -0.653 121.788 122.820 -0.631 0.000 1.975 136 A HA -0.014 4.306 4.320 -0.001 0.000 0.215 136 A C 2.064 179.338 177.584 -0.517 0.000 1.170 136 A CA 1.180 52.880 52.037 -0.560 0.000 0.656 136 A CB -0.226 18.170 19.000 -1.006 0.000 0.821 136 A HN 0.225 nan 8.150 nan 0.000 0.449 137 E N -0.088 119.675 120.200 -0.728 0.000 2.110 137 E HA 0.129 4.479 4.350 -0.001 0.000 0.193 137 E C 1.901 178.013 176.600 -0.813 0.000 0.950 137 E CA 0.477 56.336 56.400 -0.902 0.000 0.840 137 E CB -0.381 28.399 29.700 -1.533 0.000 0.809 137 E HN 0.557 nan 8.360 nan 0.000 0.465 138 L N 0.767 121.424 121.223 -0.942 0.000 2.478 138 L HA 0.035 4.374 4.340 -0.001 0.000 0.223 138 L C 0.035 176.852 176.870 -0.088 0.000 1.140 138 L CA 0.340 54.856 54.840 -0.540 0.000 0.842 138 L CB -0.399 41.171 42.059 -0.815 0.000 0.953 138 L HN 0.119 nan 8.230 nan 0.000 0.452 139 E N -0.376 119.716 120.200 -0.180 0.000 2.389 139 E HA -0.208 4.142 4.350 -0.001 0.000 0.243 139 E C 0.397 177.017 176.600 0.033 0.000 1.154 139 E CA 0.123 56.490 56.400 -0.056 0.000 0.723 139 E CB -1.112 28.572 29.700 -0.025 0.000 1.261 139 E HN 0.532 nan 8.360 nan 0.000 0.390 140 A N 0.371 123.213 122.820 0.036 0.000 2.448 140 A HA 0.119 4.439 4.320 -0.001 0.000 0.239 140 A C 1.077 178.729 177.584 0.113 0.000 1.080 140 A CA 0.383 52.462 52.037 0.070 0.000 0.779 140 A CB 0.463 19.362 19.000 -0.167 0.000 1.026 140 A HN 0.381 nan 8.150 nan 0.000 0.499 141 Q N -0.593 119.275 119.800 0.114 0.000 2.402 141 Q HA 0.266 4.606 4.340 -0.001 0.000 0.231 141 Q C -0.771 175.401 176.000 0.287 0.000 0.888 141 Q CA 0.445 56.356 55.803 0.181 0.000 0.938 141 Q CB 0.842 29.616 28.738 0.060 0.000 1.086 141 Q HN 0.512 nan 8.270 nan 0.000 0.543 142 V N 0.329 120.369 119.914 0.210 0.000 2.808 142 V HA 0.690 4.809 4.120 -0.001 0.000 0.308 142 V C -1.299 174.838 176.094 0.071 0.000 1.099 142 V CA -0.977 61.441 62.300 0.196 0.000 0.920 142 V CB 1.820 33.709 31.823 0.109 0.000 1.014 142 V HN 0.109 nan 8.190 nan 0.000 0.425 143 A N 2.509 125.397 122.820 0.115 0.000 2.355 143 A HA 0.964 5.284 4.320 -0.001 0.000 0.317 143 A C -0.057 177.631 177.584 0.174 0.000 1.094 143 A CA -0.293 51.757 52.037 0.022 0.000 0.764 143 A CB 1.682 20.624 19.000 -0.096 0.000 1.230 143 A HN 1.071 nan 8.150 nan 0.000 0.448 144 T N -1.130 113.543 114.554 0.198 0.000 2.924 144 T HA 0.843 5.193 4.350 -0.001 0.000 0.291 144 T C -0.122 174.743 174.700 0.275 0.000 1.045 144 T CA -0.331 61.931 62.100 0.269 0.000 1.015 144 T CB 1.669 70.620 68.868 0.138 0.000 1.103 144 T HN 1.484 nan 8.240 nan 0.000 0.496 145 S N 0.048 115.888 115.700 0.233 0.000 2.656 145 S HA 0.784 5.254 4.470 -0.001 0.000 0.273 145 S C -1.737 172.919 174.600 0.093 0.000 1.168 145 S CA -1.071 57.178 58.200 0.080 0.000 0.817 145 S CB 1.378 64.504 63.200 -0.124 0.000 1.146 145 S HN 1.222 nan 8.310 nan 0.000 0.475 146 R N 0.486 121.002 120.500 0.026 0.000 2.740 146 R HA 0.857 5.197 4.340 -0.001 0.000 0.273 146 R C -1.580 174.692 176.300 -0.047 0.000 0.998 146 R CA -0.855 55.253 56.100 0.013 0.000 0.900 146 R CB 1.580 31.822 30.300 -0.097 0.000 1.223 146 R HN 0.430 nan 8.270 nan 0.000 0.466 147 S N 1.162 116.853 115.700 -0.016 0.000 2.548 147 S HA 0.484 4.954 4.470 -0.001 0.000 0.276 147 S C -1.001 173.558 174.600 -0.067 0.000 1.129 147 S CA -0.707 57.469 58.200 -0.041 0.000 0.931 147 S CB 0.794 64.056 63.200 0.102 0.000 1.068 147 S HN 0.374 nan 8.310 nan 0.000 0.480 148 F N 1.919 121.907 119.950 0.064 0.000 2.553 148 F HA 0.042 4.568 4.527 -0.001 0.000 0.356 148 F C 2.028 177.858 175.800 0.051 0.000 1.142 148 F CA -0.396 57.631 58.000 0.046 0.000 1.322 148 F CB 0.349 39.370 39.000 0.034 0.000 1.126 148 F HN 0.456 nan 8.300 nan 0.000 0.599 149 V N -0.723 119.344 119.914 0.255 0.000 2.720 149 V HA -0.207 3.913 4.120 -0.001 0.000 0.256 149 V C 1.187 177.357 176.094 0.126 0.000 1.082 149 V CA 1.781 64.170 62.300 0.149 0.000 1.101 149 V CB -0.923 30.962 31.823 0.103 0.000 0.693 149 V HN 0.803 nan 8.190 nan 0.000 0.479 150 D N -0.326 120.155 120.400 0.134 0.000 2.336 150 D HA 0.043 4.683 4.640 -0.001 0.000 0.228 150 D C 0.568 176.929 176.300 0.101 0.000 1.120 150 D CA -0.084 53.968 54.000 0.086 0.000 0.839 150 D CB -0.748 40.076 40.800 0.039 0.000 0.932 150 D HN 0.500 nan 8.370 nan 0.000 0.509 151 N N 1.311 120.095 118.700 0.140 0.000 3.012 151 N HA 0.158 4.897 4.740 -0.001 0.000 0.270 151 N C -1.788 173.777 175.510 0.091 0.000 1.469 151 N CA -1.921 51.204 53.050 0.125 0.000 0.928 151 N CB 1.275 39.864 38.487 0.171 0.000 1.219 151 N HN -0.071 nan 8.380 nan 0.000 0.492 152 P HA -0.087 nan 4.420 nan 0.000 0.218 152 P C 1.101 178.420 177.300 0.031 0.000 1.149 152 P CA 0.738 63.870 63.100 0.053 0.000 0.817 152 P CB 0.355 32.081 31.700 0.043 0.000 0.785 153 A N 0.540 123.379 122.820 0.033 0.000 1.883 153 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 153 A C 2.664 180.249 177.584 0.001 0.000 1.186 153 A CA 2.546 54.596 52.037 0.021 0.000 0.624 153 A CB -1.637 17.386 19.000 0.037 0.000 0.822 153 A HN 0.323 nan 8.150 nan 0.000 0.444 154 S N -0.618 115.088 115.700 0.009 0.000 2.387 154 S HA -0.079 4.390 4.470 -0.001 0.000 0.226 154 S C 1.933 176.460 174.600 -0.122 0.000 1.026 154 S CA 1.165 59.345 58.200 -0.033 0.000 0.972 154 S CB -0.565 62.641 63.200 0.010 0.000 0.814 154 S HN 0.469 nan 8.310 nan 0.000 0.477 155 I N 1.809 122.341 120.570 -0.064 0.000 2.163 155 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 155 I C 2.889 178.891 176.117 -0.192 0.000 1.085 155 I CA 1.322 62.559 61.300 -0.105 0.000 1.347 155 I CB -0.596 37.456 38.000 0.085 0.000 1.044 155 I HN 0.422 nan 8.210 nan 0.000 0.408 156 A N 0.232 122.999 122.820 -0.089 0.000 1.933 156 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 156 A C 2.434 179.959 177.584 -0.098 0.000 1.175 156 A CA 1.600 53.595 52.037 -0.070 0.000 0.628 156 A CB -0.906 18.079 19.000 -0.025 0.000 0.814 156 A HN 0.251 nan 8.150 nan 0.000 0.444 157 V N -0.096 119.752 119.914 -0.110 0.000 2.287 157 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 157 V C 2.825 178.826 176.094 -0.154 0.000 1.053 157 V CA 2.408 64.653 62.300 -0.090 0.000 1.027 157 V CB -0.882 30.901 31.823 -0.066 0.000 0.646 157 V HN 0.579 nan 8.190 nan 0.000 0.447 158 S N -0.401 115.058 115.700 -0.403 0.000 2.359 158 S HA -0.229 4.240 4.470 -0.001 0.000 0.224 158 S C 2.056 176.490 174.600 -0.276 0.000 1.035 158 S CA 1.645 59.435 58.200 -0.684 0.000 1.018 158 S CB -0.367 61.845 63.200 -1.647 0.000 0.876 158 S HN 0.530 nan 8.310 nan 0.000 0.448 159 R N 0.763 121.093 120.500 -0.283 0.000 2.081 159 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 159 R C 2.581 178.851 176.300 -0.051 0.000 1.131 159 R CA 1.254 57.299 56.100 -0.092 0.000 0.960 159 R CB -0.341 29.937 30.300 -0.037 0.000 0.856 159 R HN 0.320 nan 8.270 nan 0.000 0.436 160 R N 0.945 121.428 120.500 -0.028 0.000 2.091 160 R HA -0.069 4.271 4.340 -0.001 0.000 0.238 160 R C 1.549 177.875 176.300 0.043 0.000 1.136 160 R CA 1.394 57.506 56.100 0.020 0.000 0.959 160 R CB -0.058 30.256 30.300 0.024 0.000 0.856 160 R HN 0.236 nan 8.270 nan 0.000 0.437 161 N N -0.781 117.965 118.700 0.076 0.000 2.461 161 N HA -0.002 4.738 4.740 -0.001 0.000 0.188 161 N C 0.564 176.056 175.510 -0.029 0.000 1.134 161 N CA 1.076 54.205 53.050 0.132 0.000 0.878 161 N CB 1.075 39.735 38.487 0.289 0.000 0.972 161 N HN 0.529 nan 8.380 nan 0.000 0.456 162 G N 0.371 109.002 108.800 -0.282 0.000 2.176 162 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.232 162 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.232 162 G C -0.174 174.594 174.900 -0.220 0.000 0.986 162 G CA -0.386 44.273 45.100 -0.735 0.000 0.643 162 G HN 0.354 nan 8.290 nan 0.000 0.522 163 Y N 1.190 121.422 120.300 -0.112 0.000 2.578 163 Y HA 0.423 4.972 4.550 -0.001 0.000 0.339 163 Y C 1.596 177.576 175.900 0.133 0.000 1.231 163 Y CA 0.065 58.194 58.100 0.050 0.000 1.461 163 Y CB 0.459 38.956 38.460 0.063 0.000 1.323 163 Y HN 0.149 nan 8.280 nan 0.000 0.590 164 R N 1.450 122.162 120.500 0.353 0.000 2.668 164 R HA 0.210 4.550 4.340 -0.001 0.000 0.279 164 R C -1.088 175.378 176.300 0.277 0.000 0.976 164 R CA -1.254 55.009 56.100 0.273 0.000 0.978 164 R CB 0.840 31.229 30.300 0.148 0.000 1.133 164 R HN 0.602 nan 8.270 nan 0.000 0.484 165 D N 1.296 121.770 120.400 0.122 0.000 2.571 165 D HA -0.075 4.564 4.640 -0.001 0.000 0.231 165 D C 0.231 176.475 176.300 -0.094 0.000 1.133 165 D CA 1.011 54.933 54.000 -0.129 0.000 0.862 165 D CB 0.392 41.138 40.800 -0.091 0.000 1.179 165 D HN 0.449 nan 8.370 nan 0.000 0.474 166 N N 0.447 119.034 118.700 -0.188 0.000 2.545 166 N HA 0.345 5.085 4.740 -0.001 0.000 0.283 166 N C -0.459 174.987 175.510 -0.108 0.000 1.596 166 N CA 0.159 53.156 53.050 -0.088 0.000 0.862 166 N CB 0.469 38.947 38.487 -0.016 0.000 1.422 166 N HN 0.594 nan 8.380 nan 0.000 0.489 167 G N 0.089 108.807 108.800 -0.135 0.000 2.462 167 G HA2 0.021 3.980 3.960 -0.001 0.000 0.685 167 G HA3 0.021 3.980 3.960 -0.001 0.000 0.685 167 G C -1.817 173.007 174.900 -0.127 0.000 1.295 167 G CA -0.854 44.183 45.100 -0.104 0.000 0.941 167 G HN 0.158 nan 8.290 nan 0.000 0.554 168 L N 0.184 121.358 121.223 -0.081 0.000 2.401 168 L HA 0.764 5.103 4.340 -0.001 0.000 0.266 168 L C -1.042 175.806 176.870 -0.038 0.000 0.991 168 L CA -0.925 53.876 54.840 -0.064 0.000 0.818 168 L CB 2.478 44.512 42.059 -0.042 0.000 1.321 168 L HN 0.718 nan 8.230 nan 0.000 0.413 169 D N 1.077 121.463 120.400 -0.023 0.000 2.857 169 D HA 0.457 5.097 4.640 -0.001 0.000 0.227 169 D C -1.181 175.138 176.300 0.031 0.000 1.192 169 D CA -0.547 53.452 54.000 -0.003 0.000 0.857 169 D CB 2.267 43.059 40.800 -0.015 0.000 1.645 169 D HN 0.317 nan 8.370 nan 0.000 0.482 170 R N 1.340 121.864 120.500 0.040 0.000 2.445 170 R HA 0.689 5.029 4.340 -0.001 0.000 0.308 170 R C -0.447 175.898 176.300 0.075 0.000 0.961 170 R CA -1.015 55.124 56.100 0.064 0.000 0.862 170 R CB 1.800 32.126 30.300 0.043 0.000 1.144 170 R HN 0.304 nan 8.270 nan 0.000 0.447 171 V N -1.138 118.848 119.914 0.121 0.000 3.141 171 V HA 0.881 5.000 4.120 -0.001 0.000 0.312 171 V C -0.348 175.800 176.094 0.090 0.000 1.157 171 V CA -1.324 61.045 62.300 0.115 0.000 1.041 171 V CB 1.907 33.828 31.823 0.164 0.000 1.071 171 V HN 0.809 nan 8.190 nan 0.000 0.441 172 A N 1.948 124.806 122.820 0.063 0.000 2.366 172 A HA 0.786 5.106 4.320 -0.001 0.000 0.272 172 A C 0.147 177.741 177.584 0.018 0.000 1.135 172 A CA -0.440 51.613 52.037 0.027 0.000 0.804 172 A CB 0.259 19.271 19.000 0.019 0.000 1.064 172 A HN 1.014 nan 8.150 nan 0.000 0.499 173 R N 2.351 122.823 120.500 -0.046 0.000 2.502 173 R HA 0.370 4.710 4.340 -0.001 0.000 0.298 173 R C -0.750 175.488 176.300 -0.103 0.000 1.018 173 R CA -0.240 55.797 56.100 -0.105 0.000 0.899 173 R CB 0.449 30.556 30.300 -0.320 0.000 1.181 173 R HN 0.923 nan 8.270 nan 0.000 0.444 174 E N 2.685 122.843 120.200 -0.070 0.000 2.440 174 E HA -0.257 4.093 4.350 -0.001 0.000 0.246 174 E C 0.489 177.060 176.600 -0.047 0.000 1.165 174 E CA 0.918 57.283 56.400 -0.059 0.000 0.726 174 E CB -1.082 28.573 29.700 -0.075 0.000 1.271 174 E HN 1.165 nan 8.360 nan 0.000 0.397 175 G N -1.779 107.000 108.800 -0.035 0.000 2.148 175 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.254 175 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.254 175 G C 0.130 175.013 174.900 -0.029 0.000 0.981 175 G CA 0.215 45.300 45.100 -0.025 0.000 0.670 175 G HN 1.045 nan 8.290 nan 0.000 0.528 176 A N -0.171 122.623 122.820 -0.043 0.000 2.454 176 A HA 0.842 5.162 4.320 -0.001 0.000 0.302 176 A C 0.165 177.721 177.584 -0.047 0.000 1.079 176 A CA -0.280 51.730 52.037 -0.045 0.000 0.731 176 A CB 1.388 20.354 19.000 -0.056 0.000 1.299 176 A HN 0.900 nan 8.150 nan 0.000 0.413 177 M N 1.950 121.532 119.600 -0.030 0.000 2.219 177 M HA 0.498 4.977 4.480 -0.001 0.000 0.353 177 M C -0.163 176.117 176.300 -0.034 0.000 1.304 177 M CA 0.214 55.505 55.300 -0.015 0.000 1.115 177 M CB 0.334 32.934 32.600 -0.000 0.000 1.664 177 M HN 0.954 nan 8.290 nan 0.000 0.459 178 A N 5.235 128.046 122.820 -0.016 0.000 2.356 178 A HA 0.513 4.833 4.320 -0.001 0.000 0.310 178 A C -0.744 176.937 177.584 0.160 0.000 1.075 178 A CA -0.751 51.273 52.037 -0.023 0.000 0.746 178 A CB 1.073 19.876 19.000 -0.328 0.000 1.221 178 A HN 0.865 nan 8.150 nan 0.000 0.443 179 E N 1.598 121.896 120.200 0.163 0.000 2.249 179 E HA 0.598 4.947 4.350 -0.001 0.000 0.280 179 E C -0.223 176.522 176.600 0.242 0.000 1.016 179 E CA -0.419 56.079 56.400 0.164 0.000 0.830 179 E CB 1.192 30.945 29.700 0.087 0.000 1.081 179 E HN 0.812 nan 8.360 nan 0.000 0.395 180 A N 5.100 127.999 122.820 0.132 0.000 2.330 180 A HA 0.500 4.819 4.320 -0.001 0.000 0.327 180 A C -0.775 176.782 177.584 -0.045 0.000 1.155 180 A CA -0.724 51.320 52.037 0.011 0.000 0.803 180 A CB 0.691 19.592 19.000 -0.164 0.000 1.208 180 A HN 0.657 nan 8.150 nan 0.000 0.477 181 L N 2.356 123.539 121.223 -0.068 0.000 2.312 181 L HA 0.395 4.735 4.340 -0.001 0.000 0.281 181 L C -0.854 175.834 176.870 -0.303 0.000 1.070 181 L CA -0.716 53.998 54.840 -0.210 0.000 0.805 181 L CB 0.907 42.820 42.059 -0.244 0.000 1.174 181 L HN 0.501 nan 8.230 nan 0.000 0.434 182 L N 3.134 124.120 121.223 -0.395 0.000 2.334 182 L HA 0.565 4.905 4.340 -0.001 0.000 0.275 182 L C -0.552 176.006 176.870 -0.521 0.000 1.036 182 L CA 0.171 54.839 54.840 -0.287 0.000 0.807 182 L CB 1.322 43.294 42.059 -0.145 0.000 1.231 182 L HN 0.225 nan 8.230 nan 0.000 0.438 183 F N 1.167 121.121 119.950 0.007 0.000 2.576 183 F HA 0.676 5.202 4.527 -0.001 0.000 0.313 183 F C -0.037 175.904 175.800 0.236 0.000 1.078 183 F CA -0.742 57.310 58.000 0.087 0.000 0.921 183 F CB 1.977 40.936 39.000 -0.068 0.000 1.232 183 F HN 0.259 nan 8.300 nan 0.000 0.459 184 R N 2.456 123.241 120.500 0.474 0.000 2.575 184 R HA 0.759 5.099 4.340 -0.001 0.000 0.293 184 R C -2.264 174.182 176.300 0.244 0.000 0.983 184 R CA -0.904 55.391 56.100 0.323 0.000 0.887 184 R CB 1.836 32.238 30.300 0.170 0.000 1.184 184 R HN 0.661 nan 8.270 nan 0.000 0.445 185 L N 4.128 125.402 121.223 0.085 0.000 2.406 185 L HA 0.395 4.735 4.340 -0.001 0.000 0.270 185 L C -0.472 176.440 176.870 0.069 0.000 0.982 185 L CA -0.112 54.670 54.840 -0.097 0.000 0.843 185 L CB 1.861 43.557 42.059 -0.606 0.000 1.225 185 L HN 0.807 nan 8.230 nan 0.000 0.412 186 T N 0.455 115.032 114.554 0.038 0.000 2.828 186 T HA 0.255 4.605 4.350 -0.001 0.000 0.290 186 T C 1.209 175.828 174.700 -0.134 0.000 1.019 186 T CA -0.219 61.904 62.100 0.038 0.000 1.031 186 T CB 0.963 69.845 68.868 0.024 0.000 1.001 186 T HN 0.733 nan 8.240 nan 0.000 0.531 187 R N 0.445 120.830 120.500 -0.191 0.000 2.103 187 R HA -0.190 4.150 4.340 -0.001 0.000 0.242 187 R C 1.920 178.113 176.300 -0.180 0.000 1.142 187 R CA 2.296 58.102 56.100 -0.489 0.000 0.960 187 R CB -0.675 29.530 30.300 -0.159 0.000 0.858 187 R HN 0.921 nan 8.270 nan 0.000 0.439 188 D N -0.010 120.345 120.400 -0.076 0.000 2.097 188 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 188 D C 1.381 177.661 176.300 -0.033 0.000 0.989 188 D CA 1.669 55.643 54.000 -0.044 0.000 0.827 188 D CB -0.113 40.675 40.800 -0.021 0.000 0.966 188 D HN 0.217 nan 8.370 nan 0.000 0.456 189 D N -0.593 119.805 120.400 -0.004 0.000 2.123 189 D HA -0.156 4.484 4.640 -0.001 0.000 0.196 189 D C 1.598 177.958 176.300 0.101 0.000 0.992 189 D CA 0.663 54.709 54.000 0.076 0.000 0.833 189 D CB -0.530 40.296 40.800 0.044 0.000 0.954 189 D HN 0.435 nan 8.370 nan 0.000 0.455 190 W N 1.955 123.102 121.300 -0.256 0.000 2.329 190 W HA -0.282 4.377 4.660 -0.000 0.000 0.324 190 W C 2.493 178.923 176.519 -0.148 0.000 1.222 190 W CA 2.094 59.264 57.345 -0.291 0.000 1.270 190 W CB -0.806 28.195 29.460 -0.765 0.000 1.167 190 W HN -0.103 nan 8.180 nan 0.000 0.467 191 Q N 0.765 120.285 119.800 -0.466 0.000 2.062 191 Q HA -0.263 4.077 4.340 -0.001 0.000 0.209 191 Q C 2.359 178.111 176.000 -0.413 0.000 0.996 191 Q CA 2.704 58.122 55.803 -0.643 0.000 0.859 191 Q CB -0.699 27.848 28.738 -0.318 0.000 0.920 191 Q HN 0.381 nan 8.270 nan 0.000 0.415 192 R N -1.454 118.901 120.500 -0.241 0.000 2.117 192 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 192 R C 1.521 177.600 176.300 -0.369 0.000 1.143 192 R CA 1.787 57.728 56.100 -0.264 0.000 0.968 192 R CB -0.249 29.911 30.300 -0.233 0.000 0.863 192 R HN 0.506 nan 8.270 nan 0.000 0.444 193 H N -1.127 117.826 119.070 -0.195 0.000 2.586 193 H HA 0.099 4.655 4.556 -0.001 0.000 0.273 193 H C -0.179 175.054 175.328 -0.159 0.000 0.997 193 H CA -0.239 55.730 56.048 -0.131 0.000 1.177 193 H CB 0.362 30.088 29.762 -0.061 0.000 1.471 193 H HN 0.106 nan 8.280 nan 0.000 0.538 194 R N 0.712 121.083 120.500 -0.216 0.000 2.390 194 R HA 0.207 4.546 4.340 -0.001 0.000 0.291 194 R C 0.272 176.488 176.300 -0.139 0.000 1.070 194 R CA 0.585 56.552 56.100 -0.222 0.000 1.014 194 R CB 0.699 30.684 30.300 -0.524 0.000 1.007 194 R HN 0.133 nan 8.270 nan 0.000 0.466 195 T N -1.511 113.009 114.554 -0.057 0.000 2.992 195 T HA 0.142 4.492 4.350 -0.001 0.000 0.255 195 T C 0.283 174.970 174.700 -0.022 0.000 0.938 195 T CA -0.268 61.808 62.100 -0.040 0.000 0.895 195 T CB 0.401 69.260 68.868 -0.016 0.000 1.221 195 T HN 0.247 nan 8.240 nan 0.000 0.512 196 V N 2.794 122.709 119.914 0.001 0.000 2.432 196 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 196 V C 0.274 176.356 176.094 -0.021 0.000 1.043 196 V CA -1.001 61.303 62.300 0.008 0.000 0.925 196 V CB 1.292 33.141 31.823 0.043 0.000 0.985 196 V HN 0.476 nan 8.190 nan 0.000 0.466 197 E N 3.945 124.118 120.200 -0.045 0.000 2.324 197 E HA 0.342 4.692 4.350 -0.001 0.000 0.271 197 E C -1.251 175.260 176.600 -0.148 0.000 1.028 197 E CA -0.183 56.162 56.400 -0.091 0.000 0.890 197 E CB 1.021 30.680 29.700 -0.069 0.000 1.004 197 E HN 0.509 nan 8.360 nan 0.000 0.431 198 V N 5.567 125.292 119.914 -0.314 0.000 2.656 198 V HA 0.446 4.566 4.120 -0.001 0.000 0.307 198 V C -0.172 175.606 176.094 -0.527 0.000 1.051 198 V CA -0.820 61.228 62.300 -0.421 0.000 0.893 198 V CB 1.831 33.344 31.823 -0.517 0.000 0.999 198 V HN 0.673 nan 8.190 nan 0.000 0.426 199 R N 2.869 123.210 120.500 -0.265 0.000 2.599 199 R HA 0.826 5.166 4.340 -0.001 0.000 0.295 199 R C -1.967 174.311 176.300 -0.037 0.000 0.963 199 R CA -0.430 55.584 56.100 -0.144 0.000 0.883 199 R CB 2.158 32.414 30.300 -0.074 0.000 1.171 199 R HN 0.523 nan 8.270 nan 0.000 0.450 200 V N 4.280 124.239 119.914 0.075 0.000 2.448 200 V HA 0.357 4.477 4.120 -0.001 0.000 0.295 200 V C -0.672 175.487 176.094 0.108 0.000 1.025 200 V CA -0.693 61.680 62.300 0.122 0.000 0.859 200 V CB 1.766 33.732 31.823 0.239 0.000 0.988 200 V HN 0.812 nan 8.190 nan 0.000 0.431 201 D N 2.951 123.395 120.400 0.073 0.000 2.340 201 D HA 0.564 5.204 4.640 -0.001 0.000 0.240 201 D C 0.954 177.305 176.300 0.085 0.000 1.001 201 D CA 0.523 54.565 54.000 0.070 0.000 0.888 201 D CB 2.110 42.928 40.800 0.030 0.000 1.310 201 D HN 0.847 nan 8.370 nan 0.000 0.474 202 G N 0.883 109.732 108.800 0.082 0.000 2.148 202 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 202 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 202 G C 0.624 175.581 174.900 0.096 0.000 0.981 202 G CA 0.436 45.570 45.100 0.056 0.000 0.670 202 G HN 0.479 nan 8.290 nan 0.000 0.528 203 F N 1.284 121.246 119.950 0.020 0.000 2.293 203 F HA 0.158 4.685 4.527 -0.001 0.000 0.297 203 F C 2.005 177.815 175.800 0.017 0.000 1.089 203 F CA 1.436 59.464 58.000 0.047 0.000 1.377 203 F CB 0.067 39.133 39.000 0.110 0.000 1.051 203 F HN 0.117 nan 8.300 nan 0.000 0.511 204 D N 0.400 120.738 120.400 -0.102 0.000 2.133 204 D HA -0.231 4.408 4.640 -0.001 0.000 0.195 204 D C 2.297 178.440 176.300 -0.262 0.000 0.997 204 D CA 1.280 55.164 54.000 -0.194 0.000 0.840 204 D CB -0.388 40.379 40.800 -0.055 0.000 0.947 204 D HN 0.279 nan 8.370 nan 0.000 0.452 205 R N -0.129 120.252 120.500 -0.198 0.000 2.148 205 R HA -0.050 4.290 4.340 -0.001 0.000 0.227 205 R C 1.880 178.016 176.300 -0.274 0.000 1.103 205 R CA 0.879 56.865 56.100 -0.190 0.000 0.983 205 R CB -0.076 30.142 30.300 -0.136 0.000 0.874 205 R HN 0.192 nan 8.270 nan 0.000 0.451 206 C N -0.719 118.364 119.300 -0.361 0.000 2.495 206 C HA 0.168 4.628 4.460 -0.001 0.000 0.275 206 C C 2.369 177.135 174.990 -0.373 0.000 1.392 206 C CA -0.257 58.536 59.018 -0.375 0.000 1.766 206 C CB -0.805 26.826 27.740 -0.182 0.000 1.933 206 C HN 0.524 nan 8.230 nan 0.000 0.519 207 R N 1.705 121.829 120.500 -0.627 0.000 2.113 207 R HA -0.184 4.156 4.340 -0.001 0.000 0.244 207 R C -0.758 175.475 176.300 -0.112 0.000 1.142 207 R CA 2.115 57.915 56.100 -0.501 0.000 0.953 207 R CB -1.165 28.859 30.300 -0.460 0.000 0.860 207 R HN 0.358 nan 8.270 nan 0.000 0.438 208 P HA -0.123 nan 4.420 nan 0.000 0.218 208 P C 0.888 178.182 177.300 -0.011 0.000 1.149 208 P CA 1.151 64.228 63.100 -0.039 0.000 0.817 208 P CB -0.049 31.618 31.700 -0.056 0.000 0.785 209 L N -3.007 118.153 121.223 -0.105 0.000 2.191 209 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 209 L C 1.805 178.621 176.870 -0.089 0.000 1.103 209 L CA 1.332 56.080 54.840 -0.152 0.000 0.769 209 L CB -0.799 40.935 42.059 -0.541 0.000 0.908 209 L HN -0.050 nan 8.230 nan 0.000 0.438 210 F N -0.574 119.432 119.950 0.092 0.000 2.714 210 F HA 0.346 4.872 4.527 -0.000 0.000 0.294 210 F C 1.279 177.214 175.800 0.224 0.000 1.120 210 F CA 0.251 58.340 58.000 0.150 0.000 1.398 210 F CB 0.481 39.525 39.000 0.073 0.000 1.120 210 F HN 0.016 nan 8.300 nan 0.000 0.589 211 G N 0.000 108.973 108.800 0.288 0.000 5.446 211 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 211 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 211 G CA 0.000 45.227 45.100 0.212 0.000 0.502 211 G HN 0.000 nan 8.290 nan 0.000 0.925