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 2nxz_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNMWKNDMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RSVNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNSTXXX XXXXXXXGSD TITLPcRIKQ IINMWQKVGK DATA SEQUENCE AMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKI 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 83 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.617 176.600 0.029 0.000 1.382 83 E CA 0.000 56.424 56.400 0.039 0.000 0.976 83 E CB 0.000 29.728 29.700 0.047 0.000 0.812 84 V N 1.235 121.168 119.914 0.031 0.000 2.509 84 V HA 0.640 4.760 4.120 0.000 0.000 0.289 84 V C -0.209 175.898 176.094 0.022 0.000 1.026 84 V CA -0.823 61.491 62.300 0.023 0.000 0.872 84 V CB 1.199 33.036 31.823 0.022 0.000 1.017 84 V HN 0.189 nan 8.190 nan 0.000 0.436 85 V N 6.767 126.689 119.914 0.014 0.000 2.521 85 V HA 0.356 4.476 4.120 0.000 0.000 0.286 85 V C -0.027 176.072 176.094 0.009 0.000 1.034 85 V CA 0.125 62.430 62.300 0.008 0.000 1.045 85 V CB 1.004 32.827 31.823 -0.001 0.000 0.974 85 V HN 0.729 nan 8.190 nan 0.000 0.480 86 L N 7.839 129.069 121.223 0.011 0.000 2.312 86 L HA 0.325 4.665 4.340 0.000 0.000 0.287 86 L C 0.240 177.113 176.870 0.006 0.000 1.091 86 L CA 0.554 55.401 54.840 0.011 0.000 0.846 86 L CB 0.959 43.029 42.059 0.018 0.000 1.219 86 L HN 0.616 nan 8.230 nan 0.000 0.439 87 V N 5.779 125.695 119.914 0.004 0.000 2.529 87 V HA 0.118 4.238 4.120 0.000 0.000 0.292 87 V C 0.885 176.981 176.094 0.003 0.000 1.028 87 V CA 0.041 62.342 62.300 0.002 0.000 1.074 87 V CB -0.022 31.802 31.823 0.001 0.000 0.958 87 V HN 0.984 nan 8.190 nan 0.000 0.481 88 N N 2.942 121.643 118.700 0.001 0.000 2.747 88 N HA -0.145 4.595 4.740 0.000 0.000 0.249 88 N C -0.536 174.978 175.510 0.006 0.000 1.107 88 N CA 1.143 54.195 53.050 0.003 0.000 0.707 88 N CB -1.011 37.478 38.487 0.003 0.000 1.054 88 N HN 0.572 nan 8.380 nan 0.000 0.555 89 V N 0.466 120.385 119.914 0.008 0.000 2.459 89 V HA 0.466 4.586 4.120 0.000 0.000 0.295 89 V C 0.716 176.821 176.094 0.019 0.000 1.029 89 V CA -0.471 61.837 62.300 0.014 0.000 0.874 89 V CB 2.014 33.847 31.823 0.017 0.000 0.985 89 V HN 0.199 nan 8.190 nan 0.000 0.438 90 T N 4.467 119.036 114.554 0.025 0.000 2.779 90 T HA 0.501 4.852 4.350 0.000 0.000 0.280 90 T C -0.762 173.969 174.700 0.051 0.000 0.987 90 T CA -0.462 61.660 62.100 0.037 0.000 0.966 90 T CB 0.718 69.607 68.868 0.035 0.000 0.933 90 T HN 0.717 nan 8.240 nan 0.000 0.442 91 E N 4.023 124.277 120.200 0.089 0.000 2.256 91 E HA 0.320 4.670 4.350 0.000 0.000 0.268 91 E C -0.750 175.950 176.600 0.166 0.000 0.877 91 E CA -0.858 55.591 56.400 0.083 0.000 0.757 91 E CB 1.611 31.349 29.700 0.063 0.000 1.183 91 E HN 0.627 nan 8.360 nan 0.000 0.418 92 N N 2.085 120.835 118.700 0.083 0.000 2.488 92 N HA 0.290 5.030 4.740 0.000 0.000 0.274 92 N C -0.708 174.862 175.510 0.100 0.000 1.111 92 N CA 0.231 53.379 53.050 0.164 0.000 0.974 92 N CB 0.419 38.969 38.487 0.104 0.000 1.089 92 N HN 0.230 nan 8.380 nan 0.000 0.465 93 F N 0.702 120.773 119.950 0.202 0.000 2.538 93 F HA 0.382 4.909 4.527 0.000 0.000 0.325 93 F C 0.654 176.571 175.800 0.195 0.000 1.066 93 F CA -0.912 57.225 58.000 0.229 0.000 0.946 93 F CB 1.359 40.603 39.000 0.407 0.000 1.199 93 F HN 0.282 nan 8.300 nan 0.000 0.473 94 N N 2.471 121.348 118.700 0.295 0.000 2.685 94 N HA 0.136 4.876 4.740 0.000 0.000 0.252 94 N C 0.245 175.825 175.510 0.118 0.000 1.261 94 N CA -0.329 52.845 53.050 0.207 0.000 0.768 94 N CB 0.765 39.358 38.487 0.177 0.000 1.304 94 N HN 0.717 nan 8.380 nan 0.000 0.536 95 M N -0.382 119.200 119.600 -0.030 0.000 2.435 95 M HA 0.082 4.562 4.480 0.000 0.000 0.262 95 M C 0.247 176.326 176.300 -0.369 0.000 1.065 95 M CA 1.234 56.390 55.300 -0.240 0.000 1.076 95 M CB -0.204 32.119 32.600 -0.462 0.000 1.403 95 M HN 0.330 nan 8.290 nan 0.000 0.454 96 W N 1.697 123.035 121.300 0.063 0.000 2.863 96 W HA 0.207 4.867 4.660 0.000 0.000 0.258 96 W C 0.472 177.010 176.519 0.033 0.000 1.298 96 W CA -0.151 57.211 57.345 0.029 0.000 1.451 96 W CB 0.374 29.831 29.460 -0.004 0.000 1.107 96 W HN 0.037 nan 8.180 nan 0.000 0.641 97 K N 1.466 121.983 120.400 0.196 0.000 2.762 97 K HA 0.135 4.456 4.320 0.000 0.000 0.180 97 K C -0.816 175.833 176.600 0.081 0.000 1.067 97 K CA -0.301 56.063 56.287 0.128 0.000 0.973 97 K CB 0.200 32.772 32.500 0.120 0.000 1.290 97 K HN -0.246 nan 8.250 nan 0.000 0.604 98 N N 1.504 120.241 118.700 0.063 0.000 2.491 98 N HA 0.120 4.860 4.740 0.000 0.000 0.274 98 N C -0.068 175.452 175.510 0.016 0.000 1.023 98 N CA -0.370 52.704 53.050 0.040 0.000 0.902 98 N CB 1.424 39.941 38.487 0.049 0.000 1.267 98 N HN 0.142 nan 8.380 nan 0.000 0.503 99 D N 3.019 123.412 120.400 -0.012 0.000 2.310 99 D HA -0.049 4.591 4.640 0.000 0.000 0.212 99 D C 1.526 177.773 176.300 -0.089 0.000 0.965 99 D CA 0.925 54.899 54.000 -0.044 0.000 0.879 99 D CB 0.262 41.017 40.800 -0.075 0.000 0.921 99 D HN 0.660 nan 8.370 nan 0.000 0.510 100 M N -0.213 119.325 119.600 -0.102 0.000 2.229 100 M HA -0.112 4.368 4.480 0.000 0.000 0.264 100 M C 2.205 178.403 176.300 -0.170 0.000 1.063 100 M CA 0.711 55.893 55.300 -0.197 0.000 1.114 100 M CB -0.022 32.477 32.600 -0.169 0.000 1.387 100 M HN -0.109 nan 8.290 nan 0.000 0.420 101 V N 0.252 120.150 119.914 -0.026 0.000 2.270 101 V HA -0.227 3.893 4.120 0.000 0.000 0.245 101 V C 2.134 178.308 176.094 0.133 0.000 1.043 101 V CA 1.923 64.280 62.300 0.094 0.000 1.014 101 V CB -0.631 31.268 31.823 0.127 0.000 0.645 101 V HN 0.362 nan 8.190 nan 0.000 0.447 102 E N -0.096 120.151 120.200 0.078 0.000 2.085 102 E HA -0.253 4.098 4.350 0.000 0.000 0.194 102 E C 2.147 178.800 176.600 0.088 0.000 0.994 102 E CA 1.500 57.964 56.400 0.107 0.000 0.801 102 E CB -0.370 29.364 29.700 0.057 0.000 0.743 102 E HN 0.617 nan 8.360 nan 0.000 0.453 103 Q N 0.115 119.894 119.800 -0.036 0.000 2.050 103 Q HA -0.115 4.226 4.340 0.000 0.000 0.202 103 Q C 2.139 178.073 176.000 -0.109 0.000 0.980 103 Q CA 1.897 57.643 55.803 -0.095 0.000 0.840 103 Q CB -0.313 28.295 28.738 -0.217 0.000 0.898 103 Q HN 0.402 nan 8.270 nan 0.000 0.424 104 M N -1.010 118.445 119.600 -0.243 0.000 2.159 104 M HA -0.223 4.257 4.480 0.000 0.000 0.263 104 M C 1.855 178.049 176.300 -0.177 0.000 1.063 104 M CA 2.108 57.250 55.300 -0.263 0.000 1.110 104 M CB -0.259 32.085 32.600 -0.426 0.000 1.374 104 M HN 0.463 nan 8.290 nan 0.000 0.411 105 H N 0.489 119.534 119.070 -0.042 0.000 2.319 105 H HA -0.144 4.412 4.556 0.000 0.000 0.299 105 H C 1.850 177.307 175.328 0.216 0.000 1.092 105 H CA 2.273 58.484 56.048 0.273 0.000 1.302 105 H CB 0.031 30.050 29.762 0.428 0.000 1.373 105 H HN 0.375 nan 8.280 nan 0.000 0.497 106 E N 0.223 120.516 120.200 0.155 0.000 2.150 106 E HA -0.125 4.225 4.350 0.000 0.000 0.193 106 E C 1.818 178.452 176.600 0.057 0.000 0.985 106 E CA 0.950 57.396 56.400 0.076 0.000 0.814 106 E CB -0.166 29.582 29.700 0.082 0.000 0.752 106 E HN 0.603 nan 8.360 nan 0.000 0.466 107 D N 0.311 120.747 120.400 0.060 0.000 2.117 107 D HA -0.109 4.531 4.640 0.000 0.000 0.198 107 D C 1.861 178.217 176.300 0.093 0.000 0.982 107 D CA 0.561 54.606 54.000 0.075 0.000 0.828 107 D CB -0.001 40.866 40.800 0.113 0.000 0.967 107 D HN 0.141 nan 8.370 nan 0.000 0.464 108 I N 0.841 121.455 120.570 0.073 0.000 2.353 108 I HA -0.121 4.049 4.170 0.000 0.000 0.248 108 I C 2.487 178.828 176.117 0.373 0.000 1.119 108 I CA 0.482 61.908 61.300 0.210 0.000 1.417 108 I CB -0.982 37.072 38.000 0.089 0.000 1.078 108 I HN 0.040 nan 8.210 nan 0.000 0.421 109 I N 0.588 121.275 120.570 0.195 0.000 2.163 109 I HA -0.312 3.858 4.170 0.000 0.000 0.243 109 I C 2.596 178.794 176.117 0.135 0.000 1.085 109 I CA 1.354 62.667 61.300 0.021 0.000 1.347 109 I CB -0.367 37.537 38.000 -0.159 0.000 1.044 109 I HN 0.138 nan 8.210 nan 0.000 0.408 110 S N 0.728 116.506 115.700 0.130 0.000 2.368 110 S HA -0.168 4.302 4.470 0.000 0.000 0.225 110 S C 1.917 176.635 174.600 0.195 0.000 1.030 110 S CA 1.162 59.440 58.200 0.130 0.000 0.999 110 S CB -0.406 62.849 63.200 0.092 0.000 0.844 110 S HN 0.284 nan 8.310 nan 0.000 0.459 111 L N 0.425 121.803 121.223 0.257 0.000 2.013 111 L HA -0.088 4.252 4.340 0.000 0.000 0.212 111 L C 1.812 178.918 176.870 0.392 0.000 1.073 111 L CA 1.744 56.763 54.840 0.299 0.000 0.753 111 L CB -0.704 41.562 42.059 0.345 0.000 0.890 111 L HN 0.385 nan 8.230 nan 0.000 0.432 112 W N 0.064 121.516 121.300 0.253 0.000 2.425 112 W HA -0.118 4.542 4.660 0.000 0.000 0.277 112 W C 2.375 178.985 176.519 0.153 0.000 1.231 112 W CA 1.116 58.619 57.345 0.263 0.000 1.248 112 W CB -0.528 29.140 29.460 0.346 0.000 1.117 112 W HN 0.221 nan 8.180 nan 0.000 0.568 113 D N -0.456 120.125 120.400 0.302 0.000 2.097 113 D HA -0.193 4.447 4.640 0.000 0.000 0.195 113 D C 2.141 178.519 176.300 0.129 0.000 0.989 113 D CA 1.755 55.858 54.000 0.171 0.000 0.827 113 D CB -0.655 40.214 40.800 0.114 0.000 0.966 113 D HN 0.411 nan 8.370 nan 0.000 0.456 114 Q N -0.413 119.464 119.800 0.128 0.000 2.389 114 Q HA 0.104 4.444 4.340 0.000 0.000 0.204 114 Q C 1.799 177.852 176.000 0.089 0.000 0.944 114 Q CA 0.791 56.649 55.803 0.092 0.000 0.908 114 Q CB 0.340 29.127 28.738 0.081 0.000 1.002 114 Q HN -0.013 nan 8.270 nan 0.000 0.493 115 S N -0.031 115.734 115.700 0.108 0.000 2.620 115 S HA 0.265 4.735 4.470 0.000 0.000 0.234 115 S C 0.655 175.250 174.600 -0.009 0.000 1.064 115 S CA -0.329 57.930 58.200 0.099 0.000 0.920 115 S CB 0.406 63.741 63.200 0.225 0.000 0.826 115 S HN 0.332 nan 8.310 nan 0.000 0.557 116 L N 3.076 124.225 121.223 -0.122 0.000 2.506 116 L HA 0.416 4.756 4.340 0.000 0.000 0.247 116 L C -1.115 175.852 176.870 0.162 0.000 1.141 116 L CA -0.335 54.396 54.840 -0.182 0.000 0.973 116 L CB 0.843 42.456 42.059 -0.743 0.000 1.319 116 L HN 0.113 nan 8.230 nan 0.000 0.455 117 K N 3.418 123.905 120.400 0.145 0.000 2.297 117 K HA 0.337 4.657 4.320 0.000 0.000 0.286 117 K C -2.356 174.264 176.600 0.034 0.000 1.053 117 K CA -1.579 54.771 56.287 0.105 0.000 0.940 117 K CB 0.729 33.258 32.500 0.048 0.000 1.019 117 K HN 0.149 nan 8.250 nan 0.000 0.475 118 P HA 0.149 nan 4.420 nan 0.000 0.278 118 P C 0.172 177.280 177.300 -0.320 0.000 1.258 118 P CA -0.640 62.015 63.100 -0.741 0.000 0.811 118 P CB 0.845 31.982 31.700 -0.938 0.000 1.063 119 c N 0.153 118.588 118.600 -0.274 0.000 2.457 119 c HA 0.086 4.656 4.570 0.000 0.000 0.278 119 c C 1.153 175.174 174.090 -0.116 0.000 1.309 119 c CA 0.271 56.522 56.329 -0.130 0.000 1.735 119 c CB -0.620 41.842 42.510 -0.079 0.000 1.992 119 c HN 0.310 nan 8.230 nan 0.000 0.493 120 V N 1.314 121.138 119.914 -0.150 0.000 2.760 120 V HA 0.403 4.523 4.120 0.000 0.000 0.309 120 V C -0.935 175.083 176.094 -0.128 0.000 1.077 120 V CA -0.650 61.584 62.300 -0.109 0.000 0.910 120 V CB 2.043 33.820 31.823 -0.078 0.000 1.008 120 V HN 0.420 nan 8.190 nan 0.000 0.424 121 K N 4.791 125.135 120.400 -0.093 0.000 2.371 121 K HA 0.869 5.189 4.320 0.000 0.000 0.251 121 K C -1.719 174.848 176.600 -0.056 0.000 0.934 121 K CA -0.835 55.404 56.287 -0.080 0.000 0.798 121 K CB 2.722 35.176 32.500 -0.075 0.000 1.204 121 K HN 0.469 nan 8.250 nan 0.000 0.427 122 L N 1.979 123.172 121.223 -0.050 0.000 2.362 122 L HA 0.527 4.867 4.340 0.000 0.000 0.275 122 L C -0.547 176.300 176.870 -0.039 0.000 0.998 122 L CA -0.740 54.076 54.840 -0.041 0.000 0.820 122 L CB 2.150 44.187 42.059 -0.037 0.000 1.270 122 L HN 0.903 nan 8.230 nan 0.000 0.415 123 T N -0.050 114.483 114.554 -0.034 0.000 2.886 123 T HA 0.600 4.950 4.350 0.000 0.000 0.292 123 T C -2.825 171.860 174.700 -0.026 0.000 1.012 123 T CA -2.005 60.076 62.100 -0.032 0.000 0.982 123 T CB 2.181 71.029 68.868 -0.034 0.000 1.018 123 T HN 0.242 nan 8.240 nan 0.000 0.451 124 P HA 0.484 nan 4.420 nan 0.000 0.274 124 P C -1.091 176.199 177.300 -0.016 0.000 1.237 124 P CA -0.697 62.391 63.100 -0.019 0.000 0.793 124 P CB 0.925 32.614 31.700 -0.018 0.000 0.977 125 L N 2.771 123.986 121.223 -0.014 0.000 2.573 125 L HA 0.313 4.653 4.340 0.000 0.000 0.260 125 L C -1.001 175.863 176.870 -0.009 0.000 0.997 125 L CA -0.159 54.674 54.840 -0.011 0.000 0.890 125 L CB 0.349 42.401 42.059 -0.010 0.000 1.179 125 L HN 0.320 nan 8.230 nan 0.000 0.439 126 c N 3.488 122.083 118.600 -0.008 0.000 2.641 126 c HA 0.271 4.841 4.570 0.000 0.000 0.294 126 c C 1.641 175.728 174.090 -0.006 0.000 1.496 126 c CA -0.225 56.099 56.329 -0.007 0.000 1.672 126 c CB -0.256 42.249 42.510 -0.008 0.000 2.763 126 c HN 0.696 nan 8.230 nan 0.000 0.545 127 V N 1.699 121.610 119.914 -0.005 0.000 2.788 127 V HA 0.186 4.306 4.120 0.000 0.000 0.251 127 V C 1.663 177.756 176.094 -0.003 0.000 1.068 127 V CA 1.880 64.178 62.300 -0.003 0.000 1.090 127 V CB -0.481 31.340 31.823 -0.003 0.000 0.710 127 V HN 0.685 nan 8.190 nan 0.000 0.467 128 G N -0.316 108.481 108.800 -0.004 0.000 2.712 128 G HA2 0.430 4.390 3.960 0.000 0.000 0.258 128 G HA3 0.430 4.390 3.960 0.000 0.000 0.258 128 G C 0.236 175.133 174.900 -0.003 0.000 1.241 128 G CA 0.140 45.238 45.100 -0.003 0.000 0.923 128 G HN 0.833 nan 8.290 nan 0.000 0.548 195 S N 0.270 115.967 115.700 -0.005 0.000 2.558 195 S HA 0.375 4.845 4.470 0.000 0.000 0.288 195 S C 0.366 174.962 174.600 -0.007 0.000 1.318 195 S CA -0.101 58.095 58.200 -0.006 0.000 1.056 195 S CB 0.658 63.855 63.200 -0.006 0.000 0.853 195 S HN 0.644 nan 8.310 nan 0.000 0.505 196 c N 2.788 121.383 118.600 -0.008 0.000 2.422 196 c HA 0.507 5.077 4.570 0.000 0.000 0.364 196 c C 0.925 175.009 174.090 -0.009 0.000 1.251 196 c CA -0.674 55.650 56.329 -0.009 0.000 2.441 196 c CB 0.181 42.685 42.510 -0.010 0.000 2.393 196 c HN 0.863 nan 8.230 nan 0.000 0.606 197 N N 0.620 119.314 118.700 -0.010 0.000 2.710 197 N HA 0.154 4.894 4.740 0.000 0.000 0.244 197 N C -1.019 174.483 175.510 -0.013 0.000 1.321 197 N CA 0.016 53.059 53.050 -0.011 0.000 0.758 197 N CB 0.987 39.468 38.487 -0.009 0.000 1.284 197 N HN 0.706 nan 8.380 nan 0.000 0.530 198 T N 0.822 115.367 114.554 -0.014 0.000 2.831 198 T HA -0.021 4.329 4.350 0.000 0.000 0.291 198 T C 0.720 175.410 174.700 -0.018 0.000 0.981 198 T CA 0.612 62.701 62.100 -0.017 0.000 1.174 198 T CB 0.278 69.135 68.868 -0.019 0.000 0.929 198 T HN 0.266 nan 8.240 nan 0.000 0.532 199 S N 3.523 119.212 115.700 -0.019 0.000 2.455 199 S HA 0.336 4.806 4.470 0.000 0.000 0.278 199 S C -0.172 174.414 174.600 -0.024 0.000 1.216 199 S CA -0.805 57.384 58.200 -0.019 0.000 1.055 199 S CB -0.035 63.153 63.200 -0.019 0.000 0.939 199 S HN 0.473 nan 8.310 nan 0.000 0.494 200 V N 7.443 127.344 119.914 -0.023 0.000 2.417 200 V HA 0.543 4.664 4.120 0.000 0.000 0.291 200 V C -0.181 175.897 176.094 -0.027 0.000 1.024 200 V CA -0.632 61.652 62.300 -0.027 0.000 0.861 200 V CB 1.383 33.191 31.823 -0.025 0.000 0.985 200 V HN 0.823 nan 8.190 nan 0.000 0.436 201 I N 3.475 124.025 120.570 -0.033 0.000 2.436 201 I HA 0.454 4.624 4.170 0.000 0.000 0.289 201 I C -0.128 175.965 176.117 -0.040 0.000 1.010 201 I CA -0.131 61.150 61.300 -0.032 0.000 1.098 201 I CB 2.344 40.325 38.000 -0.031 0.000 1.266 201 I HN 0.526 nan 8.210 nan 0.000 0.434 202 T N 6.312 120.846 114.554 -0.033 0.000 2.779 202 T HA 0.542 4.892 4.350 0.000 0.000 0.280 202 T C -0.617 174.064 174.700 -0.030 0.000 0.987 202 T CA -0.681 61.397 62.100 -0.036 0.000 0.966 202 T CB 1.291 70.141 68.868 -0.029 0.000 0.933 202 T HN 0.667 nan 8.240 nan 0.000 0.442 203 Q N 1.288 121.066 119.800 -0.036 0.000 2.626 203 Q HA 0.785 5.125 4.340 0.000 0.000 0.300 203 Q C -1.172 174.814 176.000 -0.023 0.000 0.988 203 Q CA -1.483 54.305 55.803 -0.025 0.000 0.761 203 Q CB 1.549 30.273 28.738 -0.023 0.000 1.494 203 Q HN 0.620 nan 8.270 nan 0.000 0.439 204 A N 0.475 123.289 122.820 -0.011 0.000 2.511 204 A HA 0.393 4.713 4.320 0.000 0.000 0.242 204 A C 0.335 177.918 177.584 -0.002 0.000 1.069 204 A CA 0.002 52.037 52.037 -0.004 0.000 0.763 204 A CB -0.492 18.509 19.000 0.003 0.000 1.001 204 A HN 0.907 nan 8.150 nan 0.000 0.498 205 c N 1.685 120.288 118.600 0.006 0.000 3.188 205 c HA 0.583 5.153 4.570 0.000 0.000 0.230 205 c C -2.613 171.505 174.090 0.046 0.000 1.239 205 c CA -2.230 54.113 56.329 0.023 0.000 1.494 205 c CB -0.782 41.730 42.510 0.004 0.000 1.798 205 c HN 0.668 nan 8.230 nan 0.000 0.458 206 P HA 0.174 nan 4.420 nan 0.000 0.268 206 P C -0.202 177.126 177.300 0.047 0.000 1.204 206 P CA 0.565 63.688 63.100 0.038 0.000 0.768 206 P CB 0.693 32.411 31.700 0.030 0.000 0.842 207 K N 2.557 122.980 120.400 0.039 0.000 2.363 207 K HA 0.253 4.573 4.320 0.000 0.000 0.289 207 K C 0.099 176.711 176.600 0.020 0.000 1.063 207 K CA -0.134 56.172 56.287 0.033 0.000 0.967 207 K CB -0.033 32.484 32.500 0.027 0.000 0.987 207 K HN 0.359 nan 8.250 nan 0.000 0.473 208 V N -0.865 119.057 119.914 0.012 0.000 3.001 208 V HA 0.586 4.706 4.120 0.000 0.000 0.314 208 V C 0.256 176.357 176.094 0.011 0.000 1.099 208 V CA -1.148 61.161 62.300 0.014 0.000 0.989 208 V CB 1.867 33.706 31.823 0.027 0.000 1.040 208 V HN 0.676 nan 8.190 nan 0.000 0.434 209 S N 1.757 117.471 115.700 0.022 0.000 2.603 209 S HA 0.721 5.191 4.470 0.000 0.000 0.268 209 S C -0.823 173.835 174.600 0.098 0.000 1.317 209 S CA -0.225 57.993 58.200 0.029 0.000 1.012 209 S CB 0.962 64.165 63.200 0.005 0.000 0.926 209 S HN 1.287 nan 8.310 nan 0.000 0.539 210 F N 1.043 120.907 119.950 -0.143 0.000 2.828 210 F HA 0.479 5.007 4.527 0.000 0.000 0.355 210 F C -0.788 174.924 175.800 -0.147 0.000 1.200 210 F CA -0.652 57.237 58.000 -0.184 0.000 1.062 210 F CB 1.628 40.450 39.000 -0.296 0.000 1.351 210 F HN 0.818 nan 8.300 nan 0.000 0.504 211 E N 7.095 127.049 120.200 -0.409 0.000 2.331 211 E HA 0.504 4.855 4.350 0.000 0.000 0.243 211 E C -2.706 173.663 176.600 -0.385 0.000 0.925 211 E CA -2.142 54.073 56.400 -0.307 0.000 0.760 211 E CB 0.936 30.534 29.700 -0.170 0.000 1.254 211 E HN 0.237 nan 8.360 nan 0.000 0.419 212 P HA 0.059 nan 4.420 nan 0.000 0.264 212 P C -0.935 176.250 177.300 -0.192 0.000 1.183 212 P CA -0.066 62.849 63.100 -0.307 0.000 0.763 212 P CB 0.367 31.965 31.700 -0.169 0.000 0.807 213 I N 5.401 125.867 120.570 -0.173 0.000 2.530 213 I HA 0.404 4.574 4.170 0.000 0.000 0.297 213 I C -2.360 173.686 176.117 -0.119 0.000 1.011 213 I CA -3.201 58.024 61.300 -0.125 0.000 1.107 213 I CB 1.528 39.459 38.000 -0.115 0.000 1.285 213 I HN 0.250 nan 8.210 nan 0.000 0.436 214 P HA 0.238 nan 4.420 nan 0.000 0.265 214 P C -0.970 176.202 177.300 -0.212 0.000 1.193 214 P CA 0.310 63.312 63.100 -0.163 0.000 0.765 214 P CB 0.190 31.805 31.700 -0.143 0.000 0.823 215 I N 3.564 123.948 120.570 -0.310 0.000 2.412 215 I HA 0.284 4.454 4.170 0.000 0.000 0.296 215 I C 0.569 176.364 176.117 -0.538 0.000 0.987 215 I CA -0.703 60.375 61.300 -0.370 0.000 1.180 215 I CB 1.100 38.852 38.000 -0.413 0.000 1.340 215 I HN 0.303 nan 8.210 nan 0.000 0.455 216 H N 6.005 124.854 119.070 -0.367 0.000 2.504 216 H HA 0.305 4.861 4.556 0.000 0.000 0.322 216 H C -1.332 173.745 175.328 -0.419 0.000 1.055 216 H CA -0.462 55.396 56.048 -0.317 0.000 1.231 216 H CB 1.305 30.951 29.762 -0.194 0.000 1.417 216 H HN 0.448 nan 8.280 nan 0.000 0.472 217 Y N 1.978 122.200 120.300 -0.129 0.000 2.367 217 Y HA 0.159 4.709 4.550 0.000 0.000 0.342 217 Y C 0.522 176.355 175.900 -0.112 0.000 0.979 217 Y CA -0.320 57.700 58.100 -0.133 0.000 1.161 217 Y CB 0.812 39.158 38.460 -0.189 0.000 1.155 217 Y HN 0.538 nan 8.280 nan 0.000 0.503 218 c N 1.517 120.162 118.600 0.075 0.000 2.451 218 c HA 0.812 5.382 4.570 0.000 0.000 0.391 218 c C 0.512 174.637 174.090 0.058 0.000 1.286 218 c CA -1.318 55.036 56.329 0.043 0.000 1.935 218 c CB 0.850 43.370 42.510 0.016 0.000 2.188 218 c HN 0.892 nan 8.230 nan 0.000 0.523 219 A N 2.101 124.953 122.820 0.054 0.000 2.492 219 A HA 0.496 4.816 4.320 0.000 0.000 0.254 219 A C -2.154 175.477 177.584 0.078 0.000 1.091 219 A CA -0.298 51.783 52.037 0.073 0.000 0.768 219 A CB -0.790 18.266 19.000 0.093 0.000 1.028 219 A HN 0.750 nan 8.150 nan 0.000 0.498 220 P HA 0.412 nan 4.420 nan 0.000 0.278 220 P C -0.072 177.338 177.300 0.184 0.000 1.238 220 P CA -0.243 62.896 63.100 0.064 0.000 0.794 220 P CB 0.824 32.480 31.700 -0.073 0.000 0.955 221 A N 2.013 124.924 122.820 0.152 0.000 2.591 221 A HA 0.335 4.655 4.320 0.000 0.000 0.244 221 A C 1.520 179.268 177.584 0.274 0.000 1.031 221 A CA 1.021 53.155 52.037 0.161 0.000 0.767 221 A CB -1.598 17.465 19.000 0.106 0.000 0.942 221 A HN 0.992 nan 8.150 nan 0.000 0.514 222 G N 0.937 109.826 108.800 0.149 0.000 2.194 222 G HA2 -0.192 3.768 3.960 0.000 0.000 0.236 222 G HA3 -0.192 3.768 3.960 0.000 0.000 0.236 222 G C -0.044 174.702 174.900 -0.256 0.000 0.987 222 G CA 0.359 45.435 45.100 -0.041 0.000 0.635 222 G HN 0.865 nan 8.290 nan 0.000 0.520 223 F N 0.613 120.566 119.950 0.005 0.000 2.639 223 F HA 0.884 5.411 4.527 0.000 0.000 0.339 223 F C 0.457 176.261 175.800 0.007 0.000 1.071 223 F CA -0.521 57.481 58.000 0.004 0.000 0.994 223 F CB 1.938 40.940 39.000 0.002 0.000 1.341 223 F HN 0.403 nan 8.300 nan 0.000 0.498 224 A N 0.745 123.694 122.820 0.214 0.000 2.454 224 A HA 0.832 5.152 4.320 0.000 0.000 0.302 224 A C -1.277 176.383 177.584 0.128 0.000 1.079 224 A CA -0.649 51.465 52.037 0.129 0.000 0.731 224 A CB 1.058 20.104 19.000 0.075 0.000 1.299 224 A HN 0.639 nan 8.150 nan 0.000 0.413 225 I N 1.859 122.495 120.570 0.109 0.000 2.315 225 I HA 0.278 4.448 4.170 0.000 0.000 0.291 225 I C -0.975 175.233 176.117 0.152 0.000 1.006 225 I CA -0.529 60.845 61.300 0.125 0.000 1.265 225 I CB 1.167 39.233 38.000 0.109 0.000 1.387 225 I HN 0.374 nan 8.210 nan 0.000 0.475 226 L N 7.325 128.648 121.223 0.167 0.000 2.322 226 L HA 0.490 4.830 4.340 0.000 0.000 0.279 226 L C -0.088 176.977 176.870 0.326 0.000 1.036 226 L CA -0.334 54.620 54.840 0.191 0.000 0.807 226 L CB 1.292 43.410 42.059 0.099 0.000 1.226 226 L HN 0.479 nan 8.230 nan 0.000 0.433 227 K N 2.065 122.614 120.400 0.249 0.000 2.426 227 K HA 0.366 4.686 4.320 0.000 0.000 0.254 227 K C -1.329 175.214 176.600 -0.094 0.000 0.936 227 K CA -0.518 55.811 56.287 0.071 0.000 0.801 227 K CB 1.642 34.163 32.500 0.034 0.000 1.139 227 K HN 0.685 nan 8.250 nan 0.000 0.424 228 c N 4.667 122.997 118.600 -0.449 0.000 2.499 228 c HA 0.302 4.872 4.570 0.000 0.000 0.386 228 c C 0.990 174.814 174.090 -0.442 0.000 1.293 228 c CA -0.455 55.462 56.329 -0.686 0.000 1.884 228 c CB -0.757 40.880 42.510 -1.454 0.000 2.509 228 c HN 0.872 nan 8.230 nan 0.000 0.566 229 N N 3.128 121.644 118.700 -0.307 0.000 2.392 229 N HA -0.013 4.727 4.740 0.000 0.000 0.177 229 N C 0.364 175.778 175.510 -0.160 0.000 1.066 229 N CA 0.223 53.158 53.050 -0.192 0.000 0.895 229 N CB -0.284 38.131 38.487 -0.121 0.000 0.988 229 N HN 0.739 nan 8.380 nan 0.000 0.457 230 N N 2.396 120.973 118.700 -0.205 0.000 2.374 230 N HA -0.062 4.678 4.740 0.000 0.000 0.269 230 N C 0.707 176.200 175.510 -0.029 0.000 1.310 230 N CA 0.384 53.367 53.050 -0.113 0.000 0.877 230 N CB 0.667 39.074 38.487 -0.133 0.000 1.096 230 N HN 0.123 nan 8.380 nan 0.000 0.484 231 K N 1.539 121.933 120.400 -0.010 0.000 2.209 231 K HA -0.042 4.278 4.320 0.000 0.000 0.204 231 K C 0.258 176.889 176.600 0.051 0.000 1.048 231 K CA 1.028 57.323 56.287 0.013 0.000 0.940 231 K CB 0.230 32.728 32.500 -0.003 0.000 0.729 231 K HN 0.450 nan 8.250 nan 0.000 0.451 232 T N 1.231 115.821 114.554 0.060 0.000 3.378 232 T HA 0.190 4.540 4.350 0.000 0.000 0.359 232 T C -1.235 173.548 174.700 0.139 0.000 1.815 232 T CA -0.449 61.691 62.100 0.065 0.000 1.509 232 T CB -0.149 68.734 68.868 0.024 0.000 1.049 232 T HN -0.033 nan 8.240 nan 0.000 0.705 233 F N 3.973 123.914 119.950 -0.016 0.000 2.415 233 F HA 0.402 4.929 4.527 0.000 0.000 0.348 233 F C 1.006 176.794 175.800 -0.020 0.000 1.119 233 F CA -2.023 55.968 58.000 -0.015 0.000 1.069 233 F CB 1.187 40.167 39.000 -0.034 0.000 1.124 233 F HN 0.289 nan 8.300 nan 0.000 0.472 234 N N 2.921 121.329 118.700 -0.486 0.000 2.461 234 N HA 0.152 4.892 4.740 0.000 0.000 0.188 234 N C 1.301 176.446 175.510 -0.609 0.000 1.134 234 N CA 0.820 53.619 53.050 -0.418 0.000 0.878 234 N CB 0.065 38.447 38.487 -0.174 0.000 0.972 234 N HN 0.944 nan 8.380 nan 0.000 0.456 235 G N -0.956 107.035 108.800 -1.349 0.000 2.213 235 G HA2 -0.244 3.716 3.960 0.000 0.000 0.236 235 G HA3 -0.244 3.716 3.960 0.000 0.000 0.236 235 G C 0.058 174.703 174.900 -0.425 0.000 0.991 235 G CA 0.498 45.113 45.100 -0.809 0.000 0.629 235 G HN 0.963 nan 8.290 nan 0.000 0.517 236 T N -1.948 112.395 114.554 -0.352 0.000 2.906 236 T HA 0.840 5.190 4.350 0.000 0.000 0.302 236 T C 0.254 175.026 174.700 0.119 0.000 1.002 236 T CA 0.614 62.742 62.100 0.047 0.000 0.988 236 T CB 1.832 70.799 68.868 0.164 0.000 0.972 236 T HN 2.284 nan 8.240 nan 0.000 0.447 237 G N 3.333 112.317 108.800 0.307 0.000 2.346 237 G HA2 0.315 4.275 3.960 0.000 0.000 0.294 237 G HA3 0.315 4.275 3.960 0.000 0.000 0.294 237 G C -3.342 171.805 174.900 0.413 0.000 1.294 237 G CA -0.903 44.380 45.100 0.304 0.000 0.962 237 G HN 0.668 nan 8.290 nan 0.000 0.508 238 P HA 0.395 nan 4.420 nan 0.000 0.271 238 P C -0.173 177.226 177.300 0.166 0.000 1.226 238 P CA 0.047 63.276 63.100 0.215 0.000 0.765 238 P CB 1.181 32.961 31.700 0.134 0.000 0.835 239 c N 4.318 122.961 118.600 0.071 0.000 2.281 239 c HA 0.332 4.903 4.570 0.000 0.000 0.325 239 c C 2.012 176.059 174.090 -0.073 0.000 1.282 239 c CA 0.146 56.351 56.329 -0.207 0.000 1.640 239 c CB -0.394 41.768 42.510 -0.580 0.000 2.288 239 c HN 0.752 nan 8.230 nan 0.000 0.507 240 T N 1.128 115.634 114.554 -0.080 0.000 3.054 240 T HA 0.035 4.385 4.350 0.000 0.000 0.259 240 T C 0.589 175.260 174.700 -0.048 0.000 1.092 240 T CA 0.636 62.715 62.100 -0.036 0.000 1.121 240 T CB -0.236 68.620 68.868 -0.020 0.000 0.912 240 T HN 0.651 nan 8.240 nan 0.000 0.489 241 N N 1.347 119.990 118.700 -0.094 0.000 2.800 241 N HA 0.385 5.125 4.740 0.000 0.000 0.240 241 N C -1.651 173.798 175.510 -0.102 0.000 1.096 241 N CA -0.429 52.570 53.050 -0.084 0.000 0.877 241 N CB 1.321 39.755 38.487 -0.088 0.000 1.138 241 N HN 0.208 nan 8.380 nan 0.000 0.509 242 V N 1.737 121.625 119.914 -0.043 0.000 2.628 242 V HA 0.667 4.787 4.120 0.000 0.000 0.306 242 V C -0.438 175.665 176.094 0.015 0.000 1.045 242 V CA -0.292 62.006 62.300 -0.004 0.000 0.905 242 V CB 1.879 33.757 31.823 0.091 0.000 0.997 242 V HN 0.569 nan 8.190 nan 0.000 0.436 243 S N 3.032 118.749 115.700 0.028 0.000 2.566 243 S HA 0.611 5.081 4.470 0.000 0.000 0.298 243 S C -0.438 174.206 174.600 0.072 0.000 1.083 243 S CA -0.499 57.724 58.200 0.038 0.000 0.978 243 S CB 1.999 65.214 63.200 0.026 0.000 1.073 243 S HN 0.863 nan 8.310 nan 0.000 0.491 244 T N 2.254 116.846 114.554 0.064 0.000 2.845 244 T HA 0.579 4.929 4.350 0.000 0.000 0.288 244 T C -0.108 174.642 174.700 0.083 0.000 0.980 244 T CA -0.512 61.634 62.100 0.076 0.000 1.071 244 T CB 0.753 69.654 68.868 0.055 0.000 0.941 244 T HN 0.562 nan 8.240 nan 0.000 0.487 245 V N 1.713 121.691 119.914 0.107 0.000 2.962 245 V HA 0.511 4.631 4.120 0.000 0.000 0.313 245 V C 0.589 176.732 176.094 0.082 0.000 1.099 245 V CA -0.923 61.441 62.300 0.106 0.000 0.971 245 V CB 2.160 34.081 31.823 0.164 0.000 1.028 245 V HN 0.591 nan 8.190 nan 0.000 0.430 246 Q N 1.031 120.868 119.800 0.061 0.000 2.016 246 Q HA 0.112 4.452 4.340 0.000 0.000 0.200 246 Q C 0.620 176.642 176.000 0.037 0.000 0.978 246 Q CA 1.599 57.427 55.803 0.041 0.000 0.833 246 Q CB -0.263 28.488 28.738 0.023 0.000 0.895 246 Q HN 0.918 nan 8.270 nan 0.000 0.427 247 c N -0.234 118.388 118.600 0.037 0.000 3.213 247 c HA 0.551 5.121 4.570 0.000 0.000 0.319 247 c C 0.561 174.644 174.090 -0.011 0.000 1.386 247 c CA -0.924 55.414 56.329 0.015 0.000 1.494 247 c CB 1.243 43.768 42.510 0.024 0.000 1.905 247 c HN 0.514 nan 8.230 nan 0.000 0.456 248 T N -0.640 113.814 114.554 -0.167 0.000 2.766 248 T HA 0.282 4.632 4.350 0.000 0.000 0.295 248 T C 0.334 175.011 174.700 -0.039 0.000 1.024 248 T CA 0.024 61.888 62.100 -0.394 0.000 1.018 248 T CB 0.178 68.593 68.868 -0.755 0.000 1.002 248 T HN 0.896 nan 8.240 nan 0.000 0.532 249 H N -0.258 118.843 119.070 0.052 0.000 2.730 249 H HA 0.289 4.845 4.556 0.000 0.000 0.376 249 H C 0.739 175.960 175.328 -0.178 0.000 1.299 249 H CA -0.439 55.650 56.048 0.068 0.000 1.447 249 H CB -0.421 29.410 29.762 0.114 0.000 1.493 249 H HN 0.924 nan 8.280 nan 0.000 0.619 250 G N 0.754 109.339 108.800 -0.359 0.000 2.354 250 G HA2 0.406 4.366 3.960 0.000 0.000 0.266 250 G HA3 0.406 4.366 3.960 0.000 0.000 0.266 250 G C -0.227 174.427 174.900 -0.409 0.000 1.242 250 G CA -0.596 44.046 45.100 -0.765 0.000 0.923 250 G HN 0.604 nan 8.290 nan 0.000 0.476 251 I N 2.840 123.145 120.570 -0.442 0.000 2.355 251 I HA 0.275 4.445 4.170 0.000 0.000 0.288 251 I C 0.369 176.406 176.117 -0.134 0.000 0.999 251 I CA -0.714 60.452 61.300 -0.222 0.000 1.163 251 I CB 1.663 39.536 38.000 -0.211 0.000 1.316 251 I HN 0.350 nan 8.210 nan 0.000 0.454 252 R N 7.455 127.929 120.500 -0.043 0.000 2.296 252 R HA 0.221 4.561 4.340 0.000 0.000 0.323 252 R C -2.100 174.227 176.300 0.045 0.000 1.067 252 R CA -1.424 54.662 56.100 -0.024 0.000 0.946 252 R CB 0.281 30.578 30.300 -0.005 0.000 0.991 252 R HN 0.331 nan 8.270 nan 0.000 0.448 253 P HA 0.045 nan 4.420 nan 0.000 0.226 253 P C -0.227 177.255 177.300 0.304 0.000 1.783 253 P CA -0.123 63.011 63.100 0.057 0.000 0.980 253 P CB 0.097 31.705 31.700 -0.154 0.000 1.967 254 V N 2.147 122.244 119.914 0.304 0.000 2.485 254 V HA -0.017 4.103 4.120 0.000 0.000 0.287 254 V C 0.975 177.198 176.094 0.216 0.000 1.022 254 V CA -0.018 62.419 62.300 0.229 0.000 1.067 254 V CB 0.944 32.842 31.823 0.125 0.000 0.967 254 V HN 0.102 nan 8.190 nan 0.000 0.479 255 V N 6.397 126.406 119.914 0.158 0.000 2.389 255 V HA 0.566 4.686 4.120 0.000 0.000 0.264 255 V C 0.336 176.326 176.094 -0.174 0.000 1.049 255 V CA 0.289 62.498 62.300 -0.152 0.000 0.932 255 V CB 0.863 32.432 31.823 -0.424 0.000 1.011 255 V HN 1.119 nan 8.190 nan 0.000 0.475 256 S N 3.193 118.820 115.700 -0.122 0.000 2.588 256 S HA 0.735 5.205 4.470 0.000 0.000 0.269 256 S C -0.581 174.117 174.600 0.163 0.000 1.157 256 S CA -0.441 57.767 58.200 0.014 0.000 0.824 256 S CB 2.057 65.315 63.200 0.096 0.000 1.126 256 S HN 0.920 nan 8.310 nan 0.000 0.464 257 S N 0.360 116.258 115.700 0.330 0.000 2.638 257 S HA 0.700 5.170 4.470 0.000 0.000 0.298 257 S C 0.497 175.295 174.600 0.330 0.000 1.111 257 S CA 0.035 58.415 58.200 0.299 0.000 1.027 257 S CB 1.185 64.581 63.200 0.327 0.000 1.064 257 S HN 1.072 nan 8.310 nan 0.000 0.525 258 Q N -0.953 118.969 119.800 0.203 0.000 3.147 258 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 258 Q C -0.594 175.483 176.000 0.128 0.000 2.797 258 Q CA 1.906 57.805 55.803 0.159 0.000 0.245 258 Q CB -1.469 27.398 28.738 0.217 0.000 0.196 258 Q HN 0.796 nan 8.270 nan 0.000 0.449 259 L N 1.827 123.096 121.223 0.078 0.000 2.317 259 L HA 0.554 4.894 4.340 0.000 0.000 0.281 259 L C -0.215 176.683 176.870 0.046 0.000 1.024 259 L CA -0.607 54.221 54.840 -0.020 0.000 0.810 259 L CB 1.124 42.971 42.059 -0.355 0.000 1.240 259 L HN 0.101 nan 8.230 nan 0.000 0.427 260 L N 4.512 125.762 121.223 0.044 0.000 2.275 260 L HA 0.532 4.872 4.340 0.000 0.000 0.288 260 L C -0.518 176.369 176.870 0.028 0.000 1.046 260 L CA -0.325 54.542 54.840 0.046 0.000 0.805 260 L CB 1.143 43.233 42.059 0.051 0.000 1.193 260 L HN 0.426 nan 8.230 nan 0.000 0.426 261 L N 3.697 124.936 121.223 0.027 0.000 2.346 261 L HA 0.517 4.857 4.340 0.000 0.000 0.274 261 L C 0.180 177.059 176.870 0.016 0.000 1.007 261 L CA -0.849 53.989 54.840 -0.004 0.000 0.818 261 L CB 1.499 43.531 42.059 -0.046 0.000 1.284 261 L HN 0.584 nan 8.230 nan 0.000 0.424 262 N N 0.506 119.207 118.700 0.002 0.000 2.741 262 N HA -0.151 4.589 4.740 0.000 0.000 0.250 262 N C 0.047 175.584 175.510 0.044 0.000 1.115 262 N CA 1.064 54.121 53.050 0.012 0.000 0.724 262 N CB -1.093 37.393 38.487 -0.001 0.000 1.090 262 N HN 0.994 nan 8.380 nan 0.000 0.558 263 G N -1.425 107.410 108.800 0.059 0.000 2.606 263 G HA2 0.606 4.566 3.960 0.000 0.000 0.262 263 G HA3 0.606 4.566 3.960 0.000 0.000 0.262 263 G C -0.319 174.632 174.900 0.084 0.000 1.394 263 G CA -0.198 44.960 45.100 0.097 0.000 1.044 263 G HN 0.138 nan 8.290 nan 0.000 0.553 264 S N -0.595 115.166 115.700 0.102 0.000 2.508 264 S HA 0.485 4.955 4.470 0.000 0.000 0.284 264 S C -0.000 174.627 174.600 0.045 0.000 1.192 264 S CA -0.376 57.856 58.200 0.054 0.000 1.070 264 S CB 1.054 64.261 63.200 0.012 0.000 1.004 264 S HN 0.355 nan 8.310 nan 0.000 0.493 265 L N 2.302 123.536 121.223 0.018 0.000 2.399 265 L HA 0.531 4.871 4.340 0.000 0.000 0.266 265 L C 0.753 177.628 176.870 0.009 0.000 1.114 265 L CA -0.817 54.029 54.840 0.010 0.000 0.804 265 L CB 0.534 42.592 42.059 -0.001 0.000 1.146 265 L HN 0.688 nan 8.230 nan 0.000 0.451 266 A N 1.649 124.468 122.820 -0.001 0.000 2.498 266 A HA 0.093 4.414 4.320 0.000 0.000 0.239 266 A C 0.860 178.439 177.584 -0.008 0.000 1.068 266 A CA -0.079 51.955 52.037 -0.005 0.000 0.766 266 A CB 0.115 19.098 19.000 -0.028 0.000 1.003 266 A HN 0.923 nan 8.150 nan 0.000 0.497 267 E N 0.925 121.123 120.200 -0.003 0.000 2.299 267 E HA -0.061 4.289 4.350 0.000 0.000 0.193 267 E C 0.868 177.460 176.600 -0.013 0.000 0.998 267 E CA 1.062 57.456 56.400 -0.009 0.000 0.851 267 E CB 0.312 30.007 29.700 -0.009 0.000 0.795 267 E HN 0.867 nan 8.360 nan 0.000 0.492 268 E N 0.355 120.546 120.200 -0.014 0.000 3.076 268 E HA 0.155 4.505 4.350 0.000 0.000 0.279 268 E C 0.085 176.670 176.600 -0.026 0.000 0.945 268 E CA -0.282 56.108 56.400 -0.018 0.000 1.046 268 E CB 0.460 30.151 29.700 -0.015 0.000 2.828 268 E HN -0.029 nan 8.360 nan 0.000 0.582 269 E N 1.056 121.237 120.200 -0.031 0.000 2.232 269 E HA 0.332 4.682 4.350 0.000 0.000 0.265 269 E C -0.697 175.873 176.600 -0.049 0.000 1.001 269 E CA -0.638 55.737 56.400 -0.042 0.000 0.870 269 E CB 2.066 31.740 29.700 -0.044 0.000 1.175 269 E HN -0.072 nan 8.360 nan 0.000 0.407 270 V N 1.646 121.524 119.914 -0.061 0.000 2.814 270 V HA -0.033 4.087 4.120 0.000 0.000 0.307 270 V C -0.001 176.054 176.094 -0.065 0.000 1.089 270 V CA 0.459 62.718 62.300 -0.068 0.000 1.212 270 V CB 0.408 32.179 31.823 -0.087 0.000 0.912 270 V HN 0.322 nan 8.190 nan 0.000 0.497 271 V N 5.708 125.582 119.914 -0.067 0.000 2.735 271 V HA 0.580 4.700 4.120 0.000 0.000 0.310 271 V C -0.287 175.784 176.094 -0.038 0.000 1.061 271 V CA -0.616 61.643 62.300 -0.068 0.000 0.913 271 V CB 1.866 33.624 31.823 -0.108 0.000 1.005 271 V HN 0.778 nan 8.190 nan 0.000 0.428 272 I N 1.576 122.157 120.570 0.019 0.000 2.474 272 I HA 0.789 4.959 4.170 0.000 0.000 0.294 272 I C -0.518 175.766 176.117 0.277 0.000 1.005 272 I CA -0.741 60.644 61.300 0.141 0.000 1.113 272 I CB 1.868 39.979 38.000 0.185 0.000 1.289 272 I HN 0.494 nan 8.210 nan 0.000 0.436 273 R N 3.823 124.453 120.500 0.218 0.000 2.575 273 R HA 0.698 5.038 4.340 0.000 0.000 0.293 273 R C -1.055 175.296 176.300 0.086 0.000 0.983 273 R CA -0.732 55.469 56.100 0.168 0.000 0.887 273 R CB 2.303 32.634 30.300 0.052 0.000 1.184 273 R HN 0.826 nan 8.270 nan 0.000 0.445 274 S N 0.960 116.442 115.700 -0.364 0.000 2.556 274 S HA 0.188 4.658 4.470 0.000 0.000 0.271 274 S C 0.168 174.229 174.600 -0.898 0.000 1.135 274 S CA -0.690 57.058 58.200 -0.754 0.000 0.858 274 S CB 2.219 64.641 63.200 -1.297 0.000 1.114 274 S HN 0.361 nan 8.310 nan 0.000 0.468 275 V N 2.470 121.468 119.914 -1.526 0.000 2.719 275 V HA 0.291 4.411 4.120 0.000 0.000 0.252 275 V C 0.163 175.879 176.094 -0.630 0.000 1.065 275 V CA 1.650 63.127 62.300 -1.372 0.000 1.086 275 V CB -0.487 30.437 31.823 -1.498 0.000 0.700 275 V HN 0.790 nan 8.190 nan 0.000 0.467 276 N N -1.114 117.255 118.700 -0.551 0.000 2.793 276 N HA 0.184 4.924 4.740 0.000 0.000 0.251 276 N C -0.065 175.338 175.510 -0.177 0.000 1.308 276 N CA -0.438 52.447 53.050 -0.276 0.000 0.781 276 N CB 0.279 38.652 38.487 -0.190 0.000 1.439 276 N HN 0.127 nan 8.380 nan 0.000 0.562 277 F N 0.647 120.566 119.950 -0.052 0.000 2.202 277 F HA -0.142 4.385 4.527 0.000 0.000 0.301 277 F C 2.148 178.062 175.800 0.190 0.000 1.082 277 F CA 1.326 59.358 58.000 0.053 0.000 1.313 277 F CB 0.226 39.136 39.000 -0.151 0.000 1.024 277 F HN 0.360 nan 8.300 nan 0.000 0.495 278 T N -1.792 112.917 114.554 0.259 0.000 2.962 278 T HA -0.155 4.195 4.350 0.000 0.000 0.270 278 T C 0.583 175.357 174.700 0.123 0.000 1.088 278 T CA 0.737 62.959 62.100 0.202 0.000 1.127 278 T CB -0.307 68.626 68.868 0.108 0.000 0.883 278 T HN 0.004 nan 8.240 nan 0.000 0.493 279 D N 2.288 122.728 120.400 0.067 0.000 2.339 279 D HA 0.077 4.717 4.640 0.000 0.000 0.241 279 D C 0.990 177.296 176.300 0.010 0.000 1.183 279 D CA -0.476 53.529 54.000 0.008 0.000 0.859 279 D CB 0.496 41.267 40.800 -0.049 0.000 1.067 279 D HN 0.132 nan 8.370 nan 0.000 0.484 280 N N 3.440 122.136 118.700 -0.007 0.000 2.453 280 N HA -0.153 4.587 4.740 0.000 0.000 0.183 280 N C 1.108 176.594 175.510 -0.040 0.000 1.041 280 N CA 0.839 53.868 53.050 -0.035 0.000 0.900 280 N CB -0.259 38.183 38.487 -0.075 0.000 0.961 280 N HN 0.280 nan 8.380 nan 0.000 0.443 281 A N -0.301 122.493 122.820 -0.043 0.000 2.218 281 A HA 0.091 4.411 4.320 0.000 0.000 0.209 281 A C 0.577 178.125 177.584 -0.060 0.000 1.168 281 A CA 0.069 52.078 52.037 -0.047 0.000 0.804 281 A CB 0.021 18.994 19.000 -0.045 0.000 0.834 281 A HN 0.004 nan 8.150 nan 0.000 0.482 282 K N 1.360 121.711 120.400 -0.081 0.000 2.205 282 K HA 0.337 4.657 4.320 0.000 0.000 0.279 282 K C -0.365 176.176 176.600 -0.098 0.000 1.027 282 K CA -0.089 56.116 56.287 -0.137 0.000 0.932 282 K CB 0.722 33.075 32.500 -0.245 0.000 1.032 282 K HN 0.108 nan 8.250 nan 0.000 0.466 283 T N 3.027 117.528 114.554 -0.089 0.000 2.916 283 T HA 0.221 4.571 4.350 0.000 0.000 0.303 283 T C 0.778 175.476 174.700 -0.003 0.000 1.025 283 T CA -0.082 62.012 62.100 -0.010 0.000 1.142 283 T CB 0.225 69.111 68.868 0.030 0.000 0.947 283 T HN 0.288 nan 8.240 nan 0.000 0.544 284 I N 3.811 124.436 120.570 0.091 0.000 2.321 284 I HA 0.348 4.518 4.170 0.000 0.000 0.291 284 I C 0.067 176.277 176.117 0.155 0.000 0.998 284 I CA -0.529 60.856 61.300 0.143 0.000 1.227 284 I CB 0.947 39.122 38.000 0.291 0.000 1.368 284 I HN 0.454 nan 8.210 nan 0.000 0.466 285 I N 7.120 127.789 120.570 0.165 0.000 2.325 285 I HA 0.237 4.407 4.170 0.000 0.000 0.291 285 I C -0.272 175.892 176.117 0.079 0.000 1.019 285 I CA -0.588 60.782 61.300 0.117 0.000 1.302 285 I CB 1.207 39.266 38.000 0.098 0.000 1.401 285 I HN 0.213 nan 8.210 nan 0.000 0.485 286 V N 6.647 126.598 119.914 0.062 0.000 2.394 286 V HA 0.268 4.388 4.120 0.000 0.000 0.282 286 V C -0.021 176.072 176.094 -0.002 0.000 1.031 286 V CA -0.552 61.767 62.300 0.032 0.000 0.881 286 V CB 1.456 33.303 31.823 0.040 0.000 0.982 286 V HN 0.715 nan 8.190 nan 0.000 0.451 287 Q N 4.554 124.332 119.800 -0.037 0.000 2.368 287 Q HA 0.540 4.880 4.340 0.000 0.000 0.263 287 Q C -1.070 174.904 176.000 -0.044 0.000 1.009 287 Q CA -0.561 55.215 55.803 -0.045 0.000 0.818 287 Q CB 1.295 29.977 28.738 -0.093 0.000 1.239 287 Q HN 0.714 nan 8.270 nan 0.000 0.464 288 L N 2.874 124.078 121.223 -0.032 0.000 2.464 288 L HA 0.162 4.502 4.340 0.000 0.000 0.264 288 L C 1.372 178.220 176.870 -0.037 0.000 1.199 288 L CA -0.379 54.434 54.840 -0.046 0.000 0.818 288 L CB 0.312 42.348 42.059 -0.038 0.000 1.102 288 L HN 0.751 nan 8.230 nan 0.000 0.473 289 N N -1.161 117.511 118.700 -0.046 0.000 2.254 289 N HA 0.011 4.751 4.740 0.000 0.000 0.190 289 N C -0.180 175.311 175.510 -0.030 0.000 1.107 289 N CA -0.096 52.933 53.050 -0.035 0.000 0.869 289 N CB 0.592 39.055 38.487 -0.039 0.000 0.983 289 N HN 0.539 nan 8.380 nan 0.000 0.487 290 T N 0.493 115.026 114.554 -0.034 0.000 2.921 290 T HA 0.392 4.742 4.350 0.000 0.000 0.297 290 T C -0.677 174.013 174.700 -0.016 0.000 1.013 290 T CA -0.761 61.324 62.100 -0.026 0.000 0.990 290 T CB 1.779 70.627 68.868 -0.032 0.000 1.023 290 T HN 0.267 nan 8.240 nan 0.000 0.447 291 S N 1.739 117.436 115.700 -0.006 0.000 2.580 291 S HA 0.628 5.098 4.470 0.000 0.000 0.274 291 S C -0.117 174.492 174.600 0.015 0.000 1.329 291 S CA -0.673 57.530 58.200 0.005 0.000 1.036 291 S CB 0.683 63.883 63.200 0.001 0.000 0.919 291 S HN 0.487 nan 8.310 nan 0.000 0.515 292 V N 2.479 122.415 119.914 0.037 0.000 2.448 292 V HA 0.403 4.523 4.120 0.000 0.000 0.295 292 V C 0.215 176.315 176.094 0.011 0.000 1.025 292 V CA -0.754 61.580 62.300 0.058 0.000 0.859 292 V CB 1.295 33.223 31.823 0.175 0.000 0.988 292 V HN 1.015 nan 8.190 nan 0.000 0.431 293 E N 3.404 123.599 120.200 -0.008 0.000 2.338 293 E HA 0.439 4.789 4.350 0.000 0.000 0.272 293 E C -0.838 175.717 176.600 -0.075 0.000 1.029 293 E CA -0.176 56.200 56.400 -0.041 0.000 0.872 293 E CB 1.213 30.895 29.700 -0.031 0.000 1.015 293 E HN 0.654 nan 8.360 nan 0.000 0.417 294 I N 4.350 124.853 120.570 -0.112 0.000 2.439 294 I HA 0.291 4.461 4.170 0.000 0.000 0.285 294 I C -1.505 174.532 176.117 -0.134 0.000 1.021 294 I CA -0.818 60.394 61.300 -0.146 0.000 1.091 294 I CB 0.911 38.779 38.000 -0.219 0.000 1.242 294 I HN 0.416 nan 8.210 nan 0.000 0.439 295 N N 7.130 125.776 118.700 -0.090 0.000 2.437 295 N HA 0.421 5.161 4.740 0.000 0.000 0.259 295 N C -1.258 174.211 175.510 -0.068 0.000 0.983 295 N CA -0.278 52.727 53.050 -0.075 0.000 0.937 295 N CB 1.534 40.001 38.487 -0.035 0.000 1.122 295 N HN 0.466 nan 8.380 nan 0.000 0.499 296 c N 0.353 118.891 118.600 -0.104 0.000 2.529 296 c HA 0.786 5.356 4.570 0.000 0.000 0.329 296 c C 0.737 174.778 174.090 -0.081 0.000 1.194 296 c CA -0.627 55.651 56.329 -0.085 0.000 1.779 296 c CB 1.789 44.230 42.510 -0.116 0.000 2.322 296 c HN 0.671 nan 8.230 nan 0.000 0.500 297 T N -0.487 114.049 114.554 -0.031 0.000 2.912 297 T HA 0.524 4.874 4.350 0.000 0.000 0.299 297 T C 0.943 175.784 174.700 0.234 0.000 1.052 297 T CA 0.334 62.445 62.100 0.018 0.000 0.996 297 T CB 1.365 70.135 68.868 -0.164 0.000 1.070 297 T HN 0.914 nan 8.240 nan 0.000 0.465 298 G N 1.929 110.878 108.800 0.249 0.000 2.586 298 G HA2 0.336 4.296 3.960 0.000 0.000 0.215 298 G HA3 0.336 4.296 3.960 0.000 0.000 0.215 298 G C 0.793 175.708 174.900 0.025 0.000 1.128 298 G CA 0.580 45.758 45.100 0.130 0.000 0.774 298 G HN 1.046 nan 8.290 nan 0.000 0.543 330 H N -2.046 117.128 119.070 0.172 0.000 3.042 330 H HA 0.644 5.200 4.556 0.000 0.000 0.346 330 H C -1.644 173.784 175.328 0.167 0.000 1.294 330 H CA -0.769 55.372 56.048 0.155 0.000 1.141 330 H CB 1.276 31.095 29.762 0.095 0.000 1.872 330 H HN 0.054 nan 8.280 nan 0.000 0.541 331 c N 1.810 120.558 118.600 0.247 0.000 2.507 331 c HA 0.475 5.045 4.570 0.000 0.000 0.319 331 c C -0.190 173.984 174.090 0.140 0.000 1.208 331 c CA -0.663 55.750 56.329 0.140 0.000 1.619 331 c CB 0.964 43.540 42.510 0.109 0.000 2.230 331 c HN 0.674 nan 8.230 nan 0.000 0.492 332 N N 1.773 120.524 118.700 0.086 0.000 2.362 332 N HA 0.718 5.458 4.740 0.000 0.000 0.298 332 N C -1.126 174.359 175.510 -0.042 0.000 1.048 332 N CA -0.247 52.828 53.050 0.043 0.000 0.858 332 N CB 1.391 39.923 38.487 0.076 0.000 1.218 332 N HN 0.568 nan 8.380 nan 0.000 0.488 333 I N 0.785 121.308 120.570 -0.078 0.000 2.582 333 I HA 0.402 4.572 4.170 0.000 0.000 0.292 333 I C 0.002 176.089 176.117 -0.050 0.000 1.066 333 I CA -1.206 60.027 61.300 -0.111 0.000 1.053 333 I CB 2.028 39.865 38.000 -0.271 0.000 1.241 333 I HN 0.408 nan 8.210 nan 0.000 0.421 334 A N 5.622 128.438 122.820 -0.007 0.000 2.492 334 A HA 0.211 4.532 4.320 0.000 0.000 0.254 334 A C 1.326 178.947 177.584 0.062 0.000 1.091 334 A CA -0.022 52.029 52.037 0.023 0.000 0.768 334 A CB 0.185 19.201 19.000 0.028 0.000 1.028 334 A HN 0.955 nan 8.150 nan 0.000 0.498 335 R N 2.509 123.043 120.500 0.057 0.000 2.075 335 R HA -0.134 4.206 4.340 0.000 0.000 0.232 335 R C 2.095 178.464 176.300 0.115 0.000 1.126 335 R CA 1.650 57.806 56.100 0.093 0.000 0.963 335 R CB -0.222 30.114 30.300 0.060 0.000 0.858 335 R HN 0.830 nan 8.270 nan 0.000 0.435 336 A N 1.214 124.078 122.820 0.075 0.000 1.902 336 A HA -0.171 4.149 4.320 0.000 0.000 0.217 336 A C 1.951 179.571 177.584 0.059 0.000 1.181 336 A CA 1.505 53.579 52.037 0.061 0.000 0.623 336 A CB -0.288 18.736 19.000 0.039 0.000 0.818 336 A HN 0.316 nan 8.150 nan 0.000 0.443 337 K N -1.488 118.953 120.400 0.070 0.000 2.057 337 K HA -0.156 4.164 4.320 0.000 0.000 0.206 337 K C 2.019 178.668 176.600 0.081 0.000 1.050 337 K CA 1.328 57.652 56.287 0.062 0.000 0.935 337 K CB -0.280 32.262 32.500 0.070 0.000 0.715 337 K HN 0.789 nan 8.250 nan 0.000 0.439 338 W N 2.351 123.605 121.300 -0.077 0.000 2.358 338 W HA -0.228 4.432 4.660 0.000 0.000 0.303 338 W C 1.726 178.184 176.519 -0.101 0.000 1.208 338 W CA 1.476 58.750 57.345 -0.118 0.000 1.274 338 W CB -0.242 29.135 29.460 -0.138 0.000 1.138 338 W HN 0.157 nan 8.180 nan 0.000 0.515 339 N N 0.991 119.702 118.700 0.018 0.000 2.061 339 N HA -0.230 4.510 4.740 0.000 0.000 0.193 339 N C 1.285 176.731 175.510 -0.107 0.000 1.030 339 N CA 2.323 55.391 53.050 0.029 0.000 0.856 339 N CB -0.724 37.851 38.487 0.146 0.000 1.023 339 N HN -0.010 nan 8.380 nan 0.000 0.424 340 N N -0.721 117.918 118.700 -0.101 0.000 2.166 340 N HA -0.092 4.648 4.740 0.000 0.000 0.186 340 N C 1.508 176.845 175.510 -0.289 0.000 1.019 340 N CA 1.395 54.360 53.050 -0.143 0.000 0.856 340 N CB -0.879 37.563 38.487 -0.075 0.000 0.993 340 N HN 0.304 nan 8.380 nan 0.000 0.426 341 T N 1.678 116.002 114.554 -0.383 0.000 2.708 341 T HA 0.001 4.351 4.350 0.000 0.000 0.266 341 T C 2.082 176.348 174.700 -0.724 0.000 1.037 341 T CA 0.675 62.456 62.100 -0.531 0.000 1.146 341 T CB -0.252 68.222 68.868 -0.657 0.000 0.865 341 T HN 0.142 nan 8.240 nan 0.000 0.435 342 L N 0.792 121.439 121.223 -0.959 0.000 2.083 342 L HA -0.089 4.251 4.340 0.000 0.000 0.209 342 L C 2.744 178.899 176.870 -1.191 0.000 1.083 342 L CA 1.318 55.494 54.840 -1.106 0.000 0.752 342 L CB -0.502 40.942 42.059 -1.025 0.000 0.899 342 L HN 0.224 nan 8.230 nan 0.000 0.433 343 K N 0.256 119.914 120.400 -1.237 0.000 2.057 343 K HA -0.226 4.094 4.320 0.000 0.000 0.207 343 K C 2.068 178.396 176.600 -0.454 0.000 1.049 343 K CA 1.535 57.194 56.287 -1.046 0.000 0.931 343 K CB -0.003 32.176 32.500 -0.534 0.000 0.714 343 K HN 0.395 nan 8.250 nan 0.000 0.440 344 Q N 0.231 119.813 119.800 -0.364 0.000 2.119 344 Q HA -0.110 4.230 4.340 0.000 0.000 0.201 344 Q C 2.192 178.078 176.000 -0.191 0.000 0.972 344 Q CA 1.531 57.206 55.803 -0.213 0.000 0.847 344 Q CB -0.048 28.572 28.738 -0.197 0.000 0.903 344 Q HN 0.385 nan 8.270 nan 0.000 0.433 345 I N 0.395 120.805 120.570 -0.267 0.000 2.286 345 I HA -0.222 3.948 4.170 0.000 0.000 0.245 345 I C 2.415 178.474 176.117 -0.098 0.000 1.104 345 I CA 0.814 62.009 61.300 -0.175 0.000 1.397 345 I CB -0.371 37.511 38.000 -0.196 0.000 1.072 345 I HN 0.133 nan 8.210 nan 0.000 0.417 346 A N 0.346 123.097 122.820 -0.114 0.000 1.902 346 A HA -0.205 4.115 4.320 0.000 0.000 0.217 346 A C 2.487 180.221 177.584 0.250 0.000 1.181 346 A CA 2.238 54.284 52.037 0.014 0.000 0.623 346 A CB -0.773 18.095 19.000 -0.220 0.000 0.818 346 A HN 0.395 nan 8.150 nan 0.000 0.443 347 S N -0.062 115.777 115.700 0.232 0.000 2.370 347 S HA -0.149 4.321 4.470 0.000 0.000 0.226 347 S C 1.994 176.569 174.600 -0.040 0.000 1.033 347 S CA 1.479 59.733 58.200 0.091 0.000 1.011 347 S CB -0.186 63.043 63.200 0.049 0.000 0.852 347 S HN 0.482 nan 8.310 nan 0.000 0.457 348 K N 1.224 121.591 120.400 -0.055 0.000 2.097 348 K HA 0.135 4.455 4.320 0.000 0.000 0.205 348 K C 1.995 178.527 176.600 -0.114 0.000 1.050 348 K CA 0.696 56.926 56.287 -0.095 0.000 0.938 348 K CB -0.640 31.804 32.500 -0.093 0.000 0.718 348 K HN 0.373 nan 8.250 nan 0.000 0.442 349 L N 0.870 122.043 121.223 -0.083 0.000 2.093 349 L HA -0.129 4.211 4.340 0.000 0.000 0.208 349 L C 2.605 179.532 176.870 0.095 0.000 1.085 349 L CA 1.266 56.084 54.840 -0.038 0.000 0.755 349 L CB -0.339 41.561 42.059 -0.265 0.000 0.904 349 L HN 0.211 nan 8.230 nan 0.000 0.435 350 R N 0.356 120.888 120.500 0.053 0.000 2.153 350 R HA -0.146 4.194 4.340 0.000 0.000 0.218 350 R C 1.924 178.192 176.300 -0.053 0.000 1.072 350 R CA 1.177 57.304 56.100 0.046 0.000 0.990 350 R CB -0.460 29.838 30.300 -0.004 0.000 0.889 350 R HN 0.378 nan 8.270 nan 0.000 0.452 351 E N 0.727 120.859 120.200 -0.113 0.000 2.204 351 E HA -0.267 4.083 4.350 0.000 0.000 0.195 351 E C 1.791 178.266 176.600 -0.209 0.000 0.990 351 E CA 1.272 57.583 56.400 -0.149 0.000 0.821 351 E CB 0.158 29.769 29.700 -0.148 0.000 0.750 351 E HN 0.414 nan 8.360 nan 0.000 0.477 352 Q N -0.512 119.111 119.800 -0.294 0.000 2.226 352 Q HA 0.022 4.362 4.340 0.000 0.000 0.199 352 Q C 1.039 176.677 176.000 -0.603 0.000 0.945 352 Q CA 1.322 56.769 55.803 -0.593 0.000 0.861 352 Q CB -0.050 28.079 28.738 -1.016 0.000 0.953 352 Q HN 0.356 nan 8.270 nan 0.000 0.490 353 F N -0.734 119.149 119.950 -0.113 0.000 2.678 353 F HA 0.521 5.048 4.527 0.000 0.000 0.305 353 F C 0.479 176.264 175.800 -0.025 0.000 1.090 353 F CA 0.391 58.369 58.000 -0.036 0.000 1.272 353 F CB 1.540 40.571 39.000 0.051 0.000 1.060 353 F HN 0.106 nan 8.300 nan 0.000 0.576 354 G N 0.679 109.527 108.800 0.081 0.000 2.760 354 G HA2 -0.158 3.802 3.960 0.000 0.000 0.540 354 G HA3 -0.158 3.802 3.960 0.000 0.000 0.540 354 G C -0.404 174.503 174.900 0.012 0.000 1.476 354 G CA -0.908 44.215 45.100 0.038 0.000 0.949 354 G HN 0.200 nan 8.290 nan 0.000 0.633 355 N N 0.302 118.981 118.700 -0.035 0.000 2.550 355 N HA -0.054 4.686 4.740 0.000 0.000 0.186 355 N C 1.528 177.004 175.510 -0.058 0.000 1.110 355 N CA 0.459 53.461 53.050 -0.080 0.000 0.912 355 N CB 0.103 38.530 38.487 -0.100 0.000 0.968 355 N HN 0.377 nan 8.380 nan 0.000 0.448 356 N N 0.371 119.065 118.700 -0.011 0.000 2.336 356 N HA 0.049 4.789 4.740 0.000 0.000 0.189 356 N C -0.529 175.007 175.510 0.044 0.000 1.113 356 N CA 0.414 53.470 53.050 0.010 0.000 0.858 356 N CB 0.445 38.939 38.487 0.011 0.000 0.970 356 N HN 0.155 nan 8.380 nan 0.000 0.471 357 K N 0.657 121.095 120.400 0.064 0.000 2.174 357 K HA 0.248 4.568 4.320 0.000 0.000 0.275 357 K C -0.166 176.533 176.600 0.165 0.000 1.015 357 K CA -0.126 56.221 56.287 0.100 0.000 0.933 357 K CB 0.953 33.520 32.500 0.113 0.000 1.025 357 K HN -0.083 nan 8.250 nan 0.000 0.463 358 T N 3.012 117.654 114.554 0.146 0.000 2.851 358 T HA 0.213 4.563 4.350 0.000 0.000 0.298 358 T C 0.117 174.924 174.700 0.179 0.000 0.977 358 T CA -0.341 61.867 62.100 0.180 0.000 1.126 358 T CB 0.224 69.154 68.868 0.103 0.000 0.916 358 T HN 0.214 nan 8.240 nan 0.000 0.529 359 I N 4.099 124.812 120.570 0.238 0.000 2.321 359 I HA 0.420 4.590 4.170 0.000 0.000 0.291 359 I C -0.129 176.032 176.117 0.072 0.000 0.998 359 I CA -0.486 60.910 61.300 0.160 0.000 1.227 359 I CB 0.924 39.010 38.000 0.143 0.000 1.368 359 I HN 0.549 nan 8.210 nan 0.000 0.466 360 I N 6.409 126.971 120.570 -0.014 0.000 2.465 360 I HA 0.401 4.571 4.170 0.000 0.000 0.291 360 I C -0.981 175.093 176.117 -0.071 0.000 1.014 360 I CA -0.574 60.734 61.300 0.014 0.000 1.093 360 I CB 1.408 39.426 38.000 0.030 0.000 1.267 360 I HN 0.245 nan 8.210 nan 0.000 0.431 361 F N 5.240 125.390 119.950 0.334 0.000 2.427 361 F HA 0.543 5.070 4.527 0.000 0.000 0.346 361 F C 0.280 176.259 175.800 0.298 0.000 1.120 361 F CA -0.552 57.670 58.000 0.370 0.000 1.033 361 F CB 1.320 40.606 39.000 0.477 0.000 1.126 361 F HN 0.240 nan 8.300 nan 0.000 0.462 362 K N 1.906 122.547 120.400 0.401 0.000 2.400 362 K HA 0.368 4.688 4.320 0.000 0.000 0.246 362 K C -0.815 175.944 176.600 0.265 0.000 0.995 362 K CA -1.255 55.199 56.287 0.279 0.000 0.840 362 K CB 2.317 34.906 32.500 0.148 0.000 1.293 362 K HN 0.676 nan 8.250 nan 0.000 0.445 363 Q N 0.168 120.099 119.800 0.219 0.000 2.492 363 Q HA 0.114 4.454 4.340 0.000 0.000 0.238 363 Q C -0.059 175.994 176.000 0.089 0.000 1.045 363 Q CA -0.339 55.572 55.803 0.180 0.000 0.934 363 Q CB 0.631 29.469 28.738 0.167 0.000 1.276 363 Q HN 0.415 nan 8.270 nan 0.000 0.521 364 S N 0.514 116.249 115.700 0.058 0.000 2.593 364 S HA -0.061 4.409 4.470 0.000 0.000 0.300 364 S C 0.882 175.505 174.600 0.039 0.000 1.267 364 S CA 0.115 58.334 58.200 0.031 0.000 1.065 364 S CB 0.151 63.377 63.200 0.043 0.000 0.807 364 S HN 0.720 nan 8.310 nan 0.000 0.499 365 S N 3.668 119.381 115.700 0.021 0.000 2.561 365 S HA 0.436 4.906 4.470 0.000 0.000 0.225 365 S C 1.072 175.681 174.600 0.016 0.000 0.977 365 S CA 0.159 58.369 58.200 0.017 0.000 0.926 365 S CB -0.663 62.538 63.200 0.001 0.000 0.769 365 S HN 1.634 nan 8.310 nan 0.000 0.533 366 G N -1.257 107.554 108.800 0.019 0.000 2.361 366 G HA2 0.518 4.478 3.960 0.000 0.000 0.331 366 G HA3 0.518 4.478 3.960 0.000 0.000 0.331 366 G C -0.198 174.709 174.900 0.011 0.000 1.324 366 G CA -0.387 44.724 45.100 0.018 0.000 0.984 366 G HN 1.591 nan 8.290 nan 0.000 0.586 367 G N -0.852 107.952 108.800 0.007 0.000 2.265 367 G HA2 0.425 4.385 3.960 0.000 0.000 0.246 367 G HA3 0.425 4.385 3.960 0.000 0.000 0.246 367 G C -1.074 173.823 174.900 -0.005 0.000 1.299 367 G CA 0.327 45.426 45.100 -0.002 0.000 1.117 367 G HN 1.202 nan 8.290 nan 0.000 0.485 368 D N 1.474 121.863 120.400 -0.018 0.000 2.382 368 D HA 0.391 5.031 4.640 0.000 0.000 0.240 368 D C -1.154 175.140 176.300 -0.011 0.000 1.146 368 D CA -0.974 53.006 54.000 -0.032 0.000 0.897 368 D CB 1.050 41.809 40.800 -0.067 0.000 1.197 368 D HN 0.031 nan 8.370 nan 0.000 0.432 369 P HA -0.123 nan 4.420 nan 0.000 0.216 369 P C 0.665 178.055 177.300 0.149 0.000 1.150 369 P CA 1.165 64.324 63.100 0.097 0.000 0.837 369 P CB 0.306 32.040 31.700 0.057 0.000 0.786 370 E N -1.674 118.480 120.200 -0.077 0.000 2.409 370 E HA -0.087 4.263 4.350 0.000 0.000 0.198 370 E C 1.462 177.980 176.600 -0.136 0.000 1.024 370 E CA 0.699 56.812 56.400 -0.479 0.000 0.861 370 E CB -0.529 28.489 29.700 -1.137 0.000 0.788 370 E HN 0.240 nan 8.360 nan 0.000 0.521 371 I N -1.515 119.037 120.570 -0.030 0.000 3.883 371 I HA -0.031 4.139 4.170 0.000 0.000 0.305 371 I C 1.524 177.686 176.117 0.075 0.000 1.247 371 I CA 0.260 61.579 61.300 0.032 0.000 1.350 371 I CB 0.543 38.542 38.000 -0.002 0.000 1.194 371 I HN -0.098 nan 8.210 nan 0.000 0.441 372 V N 0.309 120.273 119.914 0.084 0.000 2.719 372 V HA -0.026 4.094 4.120 0.000 0.000 0.252 372 V C 1.173 177.362 176.094 0.158 0.000 1.065 372 V CA 1.500 63.861 62.300 0.101 0.000 1.086 372 V CB -0.936 30.940 31.823 0.087 0.000 0.700 372 V HN 0.549 nan 8.190 nan 0.000 0.467 373 T N -2.647 112.033 114.554 0.209 0.000 2.952 373 T HA 0.420 4.770 4.350 0.000 0.000 0.286 373 T C -0.328 174.575 174.700 0.338 0.000 1.024 373 T CA -0.564 61.704 62.100 0.280 0.000 1.029 373 T CB 1.523 70.592 68.868 0.334 0.000 1.094 373 T HN 0.281 nan 8.240 nan 0.000 0.515 374 H N 0.590 119.829 119.070 0.282 0.000 3.017 374 H HA 0.361 4.917 4.556 0.000 0.000 0.276 374 H C -1.250 174.340 175.328 0.435 0.000 1.062 374 H CA -1.090 55.149 56.048 0.317 0.000 1.486 374 H CB -0.230 29.690 29.762 0.264 0.000 1.507 374 H HN 0.687 nan 8.280 nan 0.000 0.508 375 W N 8.537 129.803 121.300 -0.056 0.000 2.632 375 W HA 0.485 5.145 4.660 0.000 0.000 0.328 375 W C -1.940 174.532 176.519 -0.078 0.000 1.044 375 W CA -1.045 56.158 57.345 -0.236 0.000 1.225 375 W CB 0.552 29.833 29.460 -0.299 0.000 1.396 375 W HN 0.525 nan 8.180 nan 0.000 0.499 376 F N 3.089 122.512 119.950 -0.878 0.000 2.858 376 F HA 0.491 5.018 4.527 0.000 0.000 0.319 376 F C -1.367 174.083 175.800 -0.583 0.000 1.166 376 F CA -1.576 55.981 58.000 -0.739 0.000 0.899 376 F CB 0.734 39.429 39.000 -0.507 0.000 1.332 376 F HN 0.454 nan 8.300 nan 0.000 0.461 377 N N 0.666 119.188 118.700 -0.296 0.000 2.284 377 N HA 0.579 5.319 4.740 0.000 0.000 0.300 377 N C -1.976 173.467 175.510 -0.111 0.000 1.047 377 N CA -0.425 52.415 53.050 -0.350 0.000 0.821 377 N CB 2.144 40.300 38.487 -0.552 0.000 1.337 377 N HN 0.996 nan 8.380 nan 0.000 0.482 378 c N 1.418 119.949 118.600 -0.115 0.000 2.516 378 c HA 0.680 5.250 4.570 0.000 0.000 0.338 378 c C 1.179 175.288 174.090 0.032 0.000 1.132 378 c CA 0.743 57.020 56.329 -0.086 0.000 1.310 378 c CB -0.357 41.907 42.510 -0.410 0.000 1.898 378 c HN 1.083 nan 8.230 nan 0.000 0.452 379 G N 3.823 112.622 108.800 -0.000 0.000 2.283 379 G HA2 0.151 4.111 3.960 0.000 0.000 0.280 379 G HA3 0.151 4.111 3.960 0.000 0.000 0.280 379 G C 1.357 176.241 174.900 -0.027 0.000 1.029 379 G CA 1.438 46.544 45.100 0.009 0.000 0.840 379 G HN 2.826 nan 8.290 nan 0.000 0.505 380 G N -1.981 106.763 108.800 -0.094 0.000 2.176 380 G HA2 -0.207 3.753 3.960 0.000 0.000 0.253 380 G HA3 -0.207 3.753 3.960 0.000 0.000 0.253 380 G C 0.079 174.723 174.900 -0.428 0.000 0.979 380 G CA 0.854 45.806 45.100 -0.247 0.000 0.641 380 G HN 0.976 nan 8.290 nan 0.000 0.530 381 E N -0.341 119.680 120.200 -0.297 0.000 2.202 381 E HA 0.628 4.979 4.350 0.000 0.000 0.272 381 E C -0.610 175.776 176.600 -0.356 0.000 0.951 381 E CA -0.852 55.384 56.400 -0.274 0.000 0.813 381 E CB 0.915 30.548 29.700 -0.111 0.000 1.151 381 E HN 0.152 nan 8.360 nan 0.000 0.398 382 F N 1.775 121.673 119.950 -0.086 0.000 2.404 382 F HA 0.292 4.820 4.527 0.000 0.000 0.358 382 F C 0.152 175.912 175.800 -0.067 0.000 1.120 382 F CA -0.512 57.453 58.000 -0.059 0.000 1.144 382 F CB 0.357 39.475 39.000 0.197 0.000 1.133 382 F HN 0.256 nan 8.300 nan 0.000 0.495 383 F N 2.599 122.268 119.950 -0.468 0.000 2.399 383 F HA 0.422 4.949 4.527 0.000 0.000 0.334 383 F C -0.644 174.929 175.800 -0.378 0.000 1.097 383 F CA -1.130 56.574 58.000 -0.493 0.000 1.076 383 F CB 0.922 39.179 39.000 -1.238 0.000 1.162 383 F HN 0.254 nan 8.300 nan 0.000 0.495 384 Y N 1.602 121.965 120.300 0.105 0.000 2.526 384 Y HA 0.387 4.937 4.550 0.000 0.000 0.328 384 Y C -0.623 175.404 175.900 0.211 0.000 0.995 384 Y CA -1.072 57.153 58.100 0.210 0.000 1.304 384 Y CB 1.196 39.761 38.460 0.175 0.000 1.096 384 Y HN 0.430 nan 8.280 nan 0.000 0.499 385 c N 3.010 121.828 118.600 0.364 0.000 2.273 385 c HA 0.278 4.848 4.570 0.000 0.000 0.328 385 c C 0.605 174.885 174.090 0.317 0.000 1.275 385 c CA -1.185 55.360 56.329 0.360 0.000 1.704 385 c CB 0.003 42.780 42.510 0.445 0.000 2.326 385 c HN 0.718 nan 8.230 nan 0.000 0.517 386 N N 1.972 120.821 118.700 0.249 0.000 2.429 386 N HA -0.039 4.701 4.740 0.000 0.000 0.271 386 N C 0.963 176.593 175.510 0.199 0.000 1.272 386 N CA 0.293 53.468 53.050 0.208 0.000 0.921 386 N CB 0.840 39.423 38.487 0.160 0.000 1.128 386 N HN 0.847 nan 8.380 nan 0.000 0.481 387 S N 1.344 117.186 115.700 0.237 0.000 2.597 387 S HA 0.032 4.502 4.470 0.000 0.000 0.224 387 S C 1.348 176.110 174.600 0.269 0.000 0.955 387 S CA -0.283 58.066 58.200 0.248 0.000 0.933 387 S CB -0.026 63.413 63.200 0.397 0.000 0.788 387 S HN 0.468 nan 8.310 nan 0.000 0.488 388 T N 3.033 117.713 114.554 0.211 0.000 2.699 388 T HA -0.175 4.175 4.350 0.000 0.000 0.268 388 T C 1.724 176.519 174.700 0.159 0.000 1.036 388 T CA 1.826 64.048 62.100 0.203 0.000 1.147 388 T CB -0.344 68.611 68.868 0.146 0.000 0.862 388 T HN 0.592 nan 8.240 nan 0.000 0.446 389 Q N 0.051 119.899 119.800 0.080 0.000 2.364 389 Q HA 0.119 4.459 4.340 0.000 0.000 0.207 389 Q C 2.126 178.103 176.000 -0.040 0.000 0.970 389 Q CA 0.684 56.503 55.803 0.026 0.000 0.888 389 Q CB -0.195 28.540 28.738 -0.006 0.000 0.951 389 Q HN 0.495 nan 8.270 nan 0.000 0.469 390 L N -1.113 120.013 121.223 -0.162 0.000 2.270 390 L HA 0.048 4.388 4.340 0.000 0.000 0.210 390 L C 0.196 176.829 176.870 -0.395 0.000 1.104 390 L CA 0.415 54.981 54.840 -0.457 0.000 0.804 390 L CB 0.314 41.765 42.059 -1.012 0.000 0.937 390 L HN 0.124 nan 8.230 nan 0.000 0.450 391 F N 0.033 120.122 119.950 0.232 0.000 2.449 391 F HA 0.319 4.846 4.527 0.000 0.000 0.329 391 F C 0.144 176.105 175.800 0.269 0.000 1.245 391 F CA -0.543 57.626 58.000 0.282 0.000 1.193 391 F CB 0.374 39.538 39.000 0.275 0.000 1.425 391 F HN -0.116 nan 8.300 nan 0.000 0.544 392 N N 1.768 120.679 118.700 0.353 0.000 2.679 392 N HA 0.151 4.891 4.740 0.000 0.000 0.240 392 N C -1.365 174.267 175.510 0.203 0.000 1.537 392 N CA -0.079 53.124 53.050 0.254 0.000 0.793 392 N CB 0.636 39.225 38.487 0.170 0.000 1.391 392 N HN 0.293 nan 8.380 nan 0.000 0.524 393 S N -1.068 114.802 115.700 0.284 0.000 2.570 393 S HA 0.716 5.186 4.470 0.000 0.000 0.270 393 S C -0.979 173.677 174.600 0.094 0.000 1.149 393 S CA -0.591 57.684 58.200 0.125 0.000 0.837 393 S CB 1.888 65.182 63.200 0.156 0.000 1.124 393 S HN -0.009 nan 8.310 nan 0.000 0.465 394 T N 1.856 116.257 114.554 -0.256 0.000 2.824 394 T HA 0.607 4.957 4.350 0.000 0.000 0.282 394 T C -1.573 172.817 174.700 -0.516 0.000 0.993 394 T CA -0.244 61.733 62.100 -0.204 0.000 0.967 394 T CB 0.454 69.248 68.868 -0.123 0.000 0.960 394 T HN 0.632 nan 8.240 nan 0.000 0.441 395 W N 1.612 122.833 121.300 -0.132 0.000 2.736 395 W HA 0.592 5.252 4.660 0.000 0.000 0.335 395 W C -0.300 176.011 176.519 -0.347 0.000 1.059 395 W CA -1.381 55.718 57.345 -0.410 0.000 1.226 395 W CB 0.446 29.516 29.460 -0.651 0.000 1.416 395 W HN 0.782 nan 8.180 nan 0.000 0.505 396 F N 1.135 121.235 119.950 0.250 0.000 3.074 396 F HA -0.416 4.111 4.527 0.000 0.000 0.287 396 F C 1.223 177.070 175.800 0.078 0.000 0.932 396 F CA 0.399 58.484 58.000 0.142 0.000 0.995 396 F CB -1.477 37.603 39.000 0.134 0.000 0.966 396 F HN 0.493 nan 8.300 nan 0.000 0.721 397 N N 0.114 118.886 118.700 0.121 0.000 2.288 397 N HA 0.022 4.762 4.740 0.000 0.000 0.199 397 N C 1.645 177.189 175.510 0.056 0.000 1.043 397 N CA 1.241 54.330 53.050 0.066 0.000 0.947 397 N CB -0.073 38.410 38.487 -0.007 0.000 1.140 397 N HN 0.318 nan 8.380 nan 0.000 0.490 398 S N -0.770 114.944 115.700 0.023 0.000 2.154 398 S HA 0.217 4.687 4.470 0.000 0.000 0.201 398 S C 0.506 175.128 174.600 0.036 0.000 1.305 398 S CA -0.139 58.073 58.200 0.020 0.000 1.238 398 S CB -0.736 62.461 63.200 -0.004 0.000 0.810 398 S HN 0.426 nan 8.310 nan 0.000 0.411 411 S N -0.065 115.639 115.700 0.007 0.000 2.548 411 S HA 0.323 4.793 4.470 0.000 0.000 0.277 411 S C 1.297 175.902 174.600 0.009 0.000 1.315 411 S CA 0.881 59.084 58.200 0.005 0.000 1.050 411 S CB 1.098 64.297 63.200 -0.001 0.000 0.918 411 S HN 0.686 nan 8.310 nan 0.000 0.497 412 D N 3.192 123.597 120.400 0.007 0.000 2.303 412 D HA -0.189 4.452 4.640 0.000 0.000 0.190 412 D C 0.747 177.053 176.300 0.010 0.000 1.011 412 D CA 2.510 56.516 54.000 0.010 0.000 0.860 412 D CB -0.351 40.452 40.800 0.006 0.000 0.961 412 D HN 0.703 nan 8.370 nan 0.000 0.453 413 T N -1.730 112.825 114.554 0.003 0.000 2.855 413 T HA 0.562 4.912 4.350 0.000 0.000 0.281 413 T C 0.355 175.047 174.700 -0.013 0.000 1.007 413 T CA -0.949 61.149 62.100 -0.003 0.000 1.009 413 T CB 1.587 70.454 68.868 -0.002 0.000 0.983 413 T HN 0.139 nan 8.240 nan 0.000 0.455 414 I N 2.680 123.233 120.570 -0.028 0.000 2.325 414 I HA 0.242 4.412 4.170 0.000 0.000 0.291 414 I C 0.185 176.276 176.117 -0.043 0.000 1.019 414 I CA -0.535 60.736 61.300 -0.048 0.000 1.302 414 I CB 1.112 39.050 38.000 -0.104 0.000 1.401 414 I HN 0.685 nan 8.210 nan 0.000 0.485 415 T N 7.489 122.028 114.554 -0.025 0.000 2.770 415 T HA 0.395 4.745 4.350 0.000 0.000 0.297 415 T C -0.220 174.496 174.700 0.027 0.000 0.997 415 T CA -0.500 61.600 62.100 -0.000 0.000 0.949 415 T CB 0.649 69.484 68.868 -0.054 0.000 0.941 415 T HN 0.095 nan 8.240 nan 0.000 0.457 416 L N 7.189 128.452 121.223 0.068 0.000 2.265 416 L HA 0.404 4.744 4.340 0.000 0.000 0.288 416 L C -1.933 175.039 176.870 0.170 0.000 1.058 416 L CA -2.764 52.137 54.840 0.101 0.000 0.809 416 L CB 0.415 42.537 42.059 0.104 0.000 1.179 416 L HN 0.351 nan 8.230 nan 0.000 0.429 417 P HA 0.233 nan 4.420 nan 0.000 0.276 417 P C -0.950 176.469 177.300 0.197 0.000 1.230 417 P CA -0.322 62.879 63.100 0.168 0.000 0.776 417 P CB 1.072 32.842 31.700 0.116 0.000 0.888 418 c N 3.601 122.330 118.600 0.214 0.000 2.848 418 c HA 0.643 5.213 4.570 0.000 0.000 0.317 418 c C 0.225 174.399 174.090 0.140 0.000 1.260 418 c CA -0.656 55.810 56.329 0.228 0.000 1.656 418 c CB 2.060 44.771 42.510 0.335 0.000 2.174 418 c HN 0.558 nan 8.230 nan 0.000 0.479 419 R N 0.707 121.282 120.500 0.124 0.000 2.628 419 R HA 0.662 5.003 4.340 0.000 0.000 0.288 419 R C -1.305 174.969 176.300 -0.044 0.000 0.980 419 R CA -0.418 55.695 56.100 0.021 0.000 0.891 419 R CB 1.514 31.823 30.300 0.014 0.000 1.188 419 R HN 0.613 nan 8.270 nan 0.000 0.450 420 I N 2.966 123.411 120.570 -0.209 0.000 2.395 420 I HA 0.242 4.413 4.170 0.000 0.000 0.289 420 I C 0.110 176.188 176.117 -0.064 0.000 1.023 420 I CA -0.093 61.049 61.300 -0.263 0.000 1.350 420 I CB 1.008 38.751 38.000 -0.429 0.000 1.409 420 I HN 0.369 nan 8.210 nan 0.000 0.507 421 K N 4.587 125.033 120.400 0.075 0.000 2.350 421 K HA 0.440 4.760 4.320 0.000 0.000 0.241 421 K C -0.345 176.341 176.600 0.142 0.000 0.994 421 K CA -0.740 55.565 56.287 0.030 0.000 0.839 421 K CB 1.989 34.377 32.500 -0.187 0.000 1.244 421 K HN 0.331 nan 8.250 nan 0.000 0.443 422 Q N 0.107 119.965 119.800 0.096 0.000 2.423 422 Q HA 0.299 4.640 4.340 0.000 0.000 0.231 422 Q C -0.142 175.961 176.000 0.172 0.000 0.894 422 Q CA 0.551 56.454 55.803 0.166 0.000 0.938 422 Q CB 0.651 29.450 28.738 0.102 0.000 1.079 422 Q HN 0.437 nan 8.270 nan 0.000 0.552 423 I N 2.004 122.616 120.570 0.071 0.000 2.328 423 I HA 0.281 4.451 4.170 0.000 0.000 0.287 423 I C -0.881 175.247 176.117 0.018 0.000 1.012 423 I CA -0.552 60.770 61.300 0.037 0.000 1.195 423 I CB 1.005 38.998 38.000 -0.012 0.000 1.350 423 I HN -0.012 nan 8.210 nan 0.000 0.464 424 I N 5.243 125.839 120.570 0.044 0.000 2.509 424 I HA 0.332 4.502 4.170 0.000 0.000 0.293 424 I C -0.087 176.014 176.117 -0.026 0.000 1.020 424 I CA -0.779 60.534 61.300 0.021 0.000 1.088 424 I CB 1.571 39.532 38.000 -0.065 0.000 1.267 424 I HN 0.483 nan 8.210 nan 0.000 0.430 425 N N 5.888 124.538 118.700 -0.084 0.000 2.520 425 N HA 0.306 5.046 4.740 0.000 0.000 0.273 425 N C -0.207 175.251 175.510 -0.087 0.000 1.155 425 N CA -0.212 52.779 53.050 -0.098 0.000 0.967 425 N CB 1.255 39.665 38.487 -0.129 0.000 1.092 425 N HN 0.490 nan 8.380 nan 0.000 0.457 426 M N 2.259 121.828 119.600 -0.052 0.000 2.219 426 M HA 0.050 4.531 4.480 0.000 0.000 0.353 426 M C 1.524 177.804 176.300 -0.033 0.000 1.304 426 M CA -0.197 55.069 55.300 -0.056 0.000 1.115 426 M CB 0.840 33.375 32.600 -0.108 0.000 1.664 426 M HN 0.701 nan 8.290 nan 0.000 0.459 427 W N 2.253 123.544 121.300 -0.015 0.000 2.658 427 W HA -0.022 4.638 4.660 0.000 0.000 0.263 427 W C 0.686 177.214 176.519 0.015 0.000 1.274 427 W CA 0.348 57.690 57.345 -0.004 0.000 1.343 427 W CB -0.521 28.980 29.460 0.068 0.000 1.106 427 W HN 0.618 nan 8.180 nan 0.000 0.615 428 Q N 1.926 121.226 119.800 -0.833 0.000 2.123 428 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 428 Q C 0.663 176.511 176.000 -0.254 0.000 0.966 428 Q CA 1.899 57.210 55.803 -0.821 0.000 0.845 428 Q CB -0.109 28.061 28.738 -0.947 0.000 0.907 428 Q HN 0.430 nan 8.270 nan 0.000 0.439 429 K N -2.577 117.717 120.400 -0.177 0.000 2.617 429 K HA 0.399 4.719 4.320 0.000 0.000 0.293 429 K C -1.164 175.401 176.600 -0.058 0.000 1.034 429 K CA -0.876 55.367 56.287 -0.073 0.000 0.884 429 K CB 0.940 33.394 32.500 -0.077 0.000 1.541 429 K HN -0.248 nan 8.250 nan 0.000 0.409 430 V N 0.940 120.834 119.914 -0.033 0.000 2.485 430 V HA 0.463 4.583 4.120 0.000 0.000 0.287 430 V C 0.642 176.711 176.094 -0.042 0.000 1.022 430 V CA 1.555 63.836 62.300 -0.032 0.000 1.067 430 V CB -0.175 31.635 31.823 -0.021 0.000 0.967 430 V HN 0.948 nan 8.190 nan 0.000 0.479 431 G N 5.222 113.994 108.800 -0.047 0.000 2.313 431 G HA2 0.376 4.336 3.960 0.000 0.000 0.296 431 G HA3 0.376 4.336 3.960 0.000 0.000 0.296 431 G C -1.609 173.263 174.900 -0.047 0.000 1.356 431 G CA -0.912 44.160 45.100 -0.047 0.000 0.833 431 G HN 0.489 nan 8.290 nan 0.000 0.552 432 K N -0.580 119.794 120.400 -0.044 0.000 2.375 432 K HA 0.782 5.102 4.320 0.000 0.000 0.249 432 K C -0.595 175.979 176.600 -0.042 0.000 0.942 432 K CA -0.609 55.655 56.287 -0.039 0.000 0.806 432 K CB 2.517 34.994 32.500 -0.038 0.000 1.227 432 K HN 0.939 nan 8.250 nan 0.000 0.430 433 A N 2.640 125.444 122.820 -0.028 0.000 2.386 433 A HA 0.654 4.975 4.320 0.000 0.000 0.311 433 A C -1.219 176.321 177.584 -0.073 0.000 1.068 433 A CA -0.729 51.262 52.037 -0.078 0.000 0.743 433 A CB 1.344 20.313 19.000 -0.052 0.000 1.258 433 A HN 0.787 nan 8.150 nan 0.000 0.429 434 M N 2.369 121.868 119.600 -0.170 0.000 2.227 434 M HA 0.656 5.137 4.480 0.000 0.000 0.335 434 M C -1.972 174.201 176.300 -0.211 0.000 1.053 434 M CA -0.351 54.895 55.300 -0.090 0.000 0.973 434 M CB 0.937 33.504 32.600 -0.055 0.000 1.623 434 M HN 0.723 nan 8.290 nan 0.000 0.434 435 Y N 2.093 122.431 120.300 0.063 0.000 2.567 435 Y HA 0.741 5.291 4.550 0.000 0.000 0.333 435 Y C 0.396 176.332 175.900 0.062 0.000 1.106 435 Y CA -0.732 57.422 58.100 0.089 0.000 1.157 435 Y CB 1.674 40.241 38.460 0.179 0.000 1.277 435 Y HN 0.760 nan 8.280 nan 0.000 0.490 436 A N 2.427 125.374 122.820 0.211 0.000 2.332 436 A HA 0.545 4.865 4.320 0.000 0.000 0.258 436 A C -2.500 175.152 177.584 0.113 0.000 1.087 436 A CA -1.511 50.597 52.037 0.118 0.000 0.802 436 A CB -0.413 18.637 19.000 0.083 0.000 1.042 436 A HN 0.481 nan 8.150 nan 0.000 0.489 437 P HA 0.238 nan 4.420 nan 0.000 0.270 437 P C -2.465 174.854 177.300 0.032 0.000 1.227 437 P CA -0.720 62.406 63.100 0.043 0.000 0.788 437 P CB -0.416 31.299 31.700 0.024 0.000 0.926 438 P HA 0.107 nan 4.420 nan 0.000 0.269 438 P C 0.363 177.667 177.300 0.006 0.000 1.215 438 P CA 0.202 63.302 63.100 0.000 0.000 0.780 438 P CB 0.177 31.863 31.700 -0.023 0.000 0.898 439 I N -2.565 118.010 120.570 0.008 0.000 4.288 439 I HA 0.265 4.435 4.170 0.000 0.000 0.331 439 I C 0.549 176.671 176.117 0.008 0.000 1.322 439 I CA 0.080 61.385 61.300 0.009 0.000 1.149 439 I CB 0.380 38.387 38.000 0.012 0.000 1.112 439 I HN 0.098 nan 8.210 nan 0.000 0.403 440 S N 1.458 117.163 115.700 0.008 0.000 2.480 440 S HA 0.600 5.070 4.470 0.000 0.000 0.286 440 S C 1.026 175.633 174.600 0.012 0.000 1.180 440 S CA -0.198 58.009 58.200 0.011 0.000 1.075 440 S CB 1.401 64.610 63.200 0.015 0.000 0.996 440 S HN 0.416 nan 8.310 nan 0.000 0.487 441 G N 2.596 111.403 108.800 0.013 0.000 3.042 441 G HA2 0.171 4.131 3.960 0.000 0.000 0.212 441 G HA3 0.171 4.131 3.960 0.000 0.000 0.212 441 G C 0.297 175.209 174.900 0.020 0.000 1.166 441 G CA -0.078 45.031 45.100 0.015 0.000 0.767 441 G HN 0.677 nan 8.290 nan 0.000 0.546 442 Q N 0.553 120.366 119.800 0.022 0.000 3.230 442 Q HA 0.313 4.653 4.340 0.000 0.000 0.303 442 Q C -0.901 175.118 176.000 0.032 0.000 0.884 442 Q CA -0.274 55.544 55.803 0.025 0.000 0.859 442 Q CB 1.029 29.777 28.738 0.017 0.000 1.432 442 Q HN 0.301 nan 8.270 nan 0.000 0.403 443 I N 2.331 122.933 120.570 0.054 0.000 2.301 443 I HA 0.324 4.494 4.170 0.000 0.000 0.292 443 I C -0.045 176.119 176.117 0.077 0.000 1.046 443 I CA -0.135 61.216 61.300 0.085 0.000 1.282 443 I CB 0.284 38.379 38.000 0.159 0.000 1.409 443 I HN 0.056 nan 8.210 nan 0.000 0.484 444 R N 5.921 126.438 120.500 0.028 0.000 2.628 444 R HA 0.739 5.079 4.340 0.000 0.000 0.288 444 R C -1.229 175.046 176.300 -0.042 0.000 0.980 444 R CA -0.621 55.474 56.100 -0.009 0.000 0.891 444 R CB 2.274 32.567 30.300 -0.011 0.000 1.188 444 R HN 0.819 nan 8.270 nan 0.000 0.450 445 c N -0.870 117.681 118.600 -0.081 0.000 3.170 445 c HA 0.776 5.346 4.570 0.000 0.000 0.319 445 c C -0.253 173.770 174.090 -0.113 0.000 1.260 445 c CA -1.112 55.158 56.329 -0.097 0.000 1.374 445 c CB 1.705 44.144 42.510 -0.118 0.000 1.739 445 c HN 0.880 nan 8.230 nan 0.000 0.479 446 S N 1.613 117.254 115.700 -0.098 0.000 2.532 446 S HA 0.877 5.347 4.470 0.000 0.000 0.299 446 S C -0.650 173.886 174.600 -0.107 0.000 1.105 446 S CA -0.219 57.921 58.200 -0.100 0.000 1.018 446 S CB 1.415 64.575 63.200 -0.068 0.000 1.021 446 S HN 1.060 nan 8.310 nan 0.000 0.483 447 S N 2.249 117.870 115.700 -0.132 0.000 2.638 447 S HA 0.575 5.045 4.470 0.000 0.000 0.302 447 S C -0.852 173.692 174.600 -0.093 0.000 1.096 447 S CA -1.036 57.092 58.200 -0.120 0.000 0.953 447 S CB 0.947 64.044 63.200 -0.171 0.000 1.107 447 S HN 0.769 nan 8.310 nan 0.000 0.503 448 N N 1.609 120.270 118.700 -0.064 0.000 2.425 448 N HA 0.400 5.140 4.740 0.000 0.000 0.268 448 N C -0.800 174.687 175.510 -0.038 0.000 0.991 448 N CA -0.279 52.746 53.050 -0.042 0.000 0.931 448 N CB 0.719 39.194 38.487 -0.022 0.000 1.130 448 N HN 0.501 nan 8.380 nan 0.000 0.493 449 I N 1.605 122.155 120.570 -0.034 0.000 2.505 449 I HA -0.003 4.167 4.170 0.000 0.000 0.287 449 I C 1.450 177.581 176.117 0.025 0.000 1.104 449 I CA 0.267 61.562 61.300 -0.009 0.000 1.387 449 I CB 0.326 38.339 38.000 0.020 0.000 1.404 449 I HN 0.557 nan 8.210 nan 0.000 0.528 450 T N 0.910 115.479 114.554 0.025 0.000 3.040 450 T HA 0.466 4.816 4.350 0.000 0.000 0.266 450 T C 0.472 175.190 174.700 0.030 0.000 1.005 450 T CA -0.050 62.066 62.100 0.026 0.000 0.906 450 T CB 0.616 69.502 68.868 0.030 0.000 1.082 450 T HN 0.739 nan 8.240 nan 0.000 0.531 451 G N 0.550 109.375 108.800 0.043 0.000 2.495 451 G HA2 0.584 4.545 3.960 0.000 0.000 0.294 451 G HA3 0.584 4.545 3.960 0.000 0.000 0.294 451 G C -2.546 172.399 174.900 0.075 0.000 1.397 451 G CA -0.894 44.233 45.100 0.045 0.000 0.790 451 G HN 0.245 nan 8.290 nan 0.000 0.486 452 L N -0.953 120.320 121.223 0.084 0.000 2.415 452 L HA 0.679 5.019 4.340 0.000 0.000 0.256 452 L C -0.606 176.325 176.870 0.101 0.000 1.010 452 L CA -0.523 54.392 54.840 0.124 0.000 0.826 452 L CB 2.292 44.463 42.059 0.187 0.000 1.405 452 L HN 0.476 nan 8.230 nan 0.000 0.410 453 L N 2.943 124.225 121.223 0.098 0.000 2.298 453 L HA 0.661 5.001 4.340 0.000 0.000 0.284 453 L C -0.983 175.933 176.870 0.077 0.000 1.013 453 L CA -0.308 54.582 54.840 0.083 0.000 0.824 453 L CB 1.270 43.366 42.059 0.062 0.000 1.221 453 L HN 0.376 nan 8.230 nan 0.000 0.418 454 L N 2.348 123.637 121.223 0.111 0.000 2.323 454 L HA 0.755 5.095 4.340 0.000 0.000 0.265 454 L C -0.013 176.945 176.870 0.146 0.000 1.012 454 L CA -0.618 54.303 54.840 0.135 0.000 0.820 454 L CB 2.579 44.779 42.059 0.234 0.000 1.334 454 L HN 0.564 nan 8.230 nan 0.000 0.427 455 T N -1.712 112.920 114.554 0.131 0.000 2.893 455 T HA 0.539 4.889 4.350 0.000 0.000 0.291 455 T C -0.632 174.106 174.700 0.064 0.000 1.028 455 T CA -0.917 61.241 62.100 0.096 0.000 0.995 455 T CB 2.277 71.157 68.868 0.020 0.000 1.051 455 T HN 0.576 nan 8.240 nan 0.000 0.470 456 R N 0.953 121.427 120.500 -0.043 0.000 2.368 456 R HA 0.319 4.659 4.340 0.000 0.000 0.302 456 R C 0.030 176.138 176.300 -0.321 0.000 1.002 456 R CA -0.473 55.377 56.100 -0.416 0.000 0.929 456 R CB 0.802 30.770 30.300 -0.553 0.000 1.073 456 R HN 0.717 nan 8.270 nan 0.000 0.464 457 D N 2.190 122.361 120.400 -0.381 0.000 2.084 457 D HA 0.011 4.651 4.640 0.000 0.000 0.194 457 D C 1.008 177.185 176.300 -0.206 0.000 0.990 457 D CA 1.949 55.807 54.000 -0.237 0.000 0.826 457 D CB -0.273 40.398 40.800 -0.215 0.000 0.971 457 D HN 0.821 nan 8.370 nan 0.000 0.453 458 G N -0.607 108.037 108.800 -0.260 0.000 2.601 458 G HA2 0.239 4.199 3.960 0.000 0.000 0.252 458 G HA3 0.239 4.199 3.960 0.000 0.000 0.252 458 G C 0.500 175.325 174.900 -0.124 0.000 1.294 458 G CA -0.079 44.910 45.100 -0.185 0.000 0.912 458 G HN 1.240 nan 8.290 nan 0.000 0.574 459 G N -1.910 106.840 108.800 -0.084 0.000 2.663 459 G HA2 0.255 4.215 3.960 0.000 0.000 0.686 459 G HA3 0.255 4.215 3.960 0.000 0.000 0.686 459 G C -0.455 174.415 174.900 -0.050 0.000 1.288 459 G CA 0.414 45.477 45.100 -0.061 0.000 0.836 459 G HN 1.758 nan 8.290 nan 0.000 0.584 460 N N 0.666 119.344 118.700 -0.037 0.000 2.549 460 N HA 0.434 5.174 4.740 0.000 0.000 0.267 460 N C -0.106 175.386 175.510 -0.030 0.000 1.182 460 N CA 0.860 53.893 53.050 -0.028 0.000 1.019 460 N CB 1.180 39.654 38.487 -0.021 0.000 1.380 460 N HN 0.783 nan 8.380 nan 0.000 0.505 461 S N 1.366 117.046 115.700 -0.034 0.000 2.496 461 S HA 0.142 4.613 4.470 0.000 0.000 0.221 461 S C 0.317 174.901 174.600 -0.027 0.000 1.260 461 S CA -1.017 57.163 58.200 -0.033 0.000 1.181 461 S CB -0.516 62.657 63.200 -0.046 0.000 1.136 461 S HN 0.624 nan 8.310 nan 0.000 0.467 462 N N 2.979 121.669 118.700 -0.018 0.000 2.601 462 N HA -0.060 4.680 4.740 0.000 0.000 0.201 462 N C 0.224 175.728 175.510 -0.010 0.000 1.355 462 N CA 0.006 53.049 53.050 -0.011 0.000 0.880 462 N CB -0.109 38.373 38.487 -0.007 0.000 1.071 462 N HN 0.516 nan 8.380 nan 0.000 0.454 463 N N 1.559 120.250 118.700 -0.016 0.000 2.420 463 N HA -0.015 4.725 4.740 0.000 0.000 0.249 463 N C -0.810 174.693 175.510 -0.011 0.000 1.033 463 N CA -0.355 52.688 53.050 -0.012 0.000 0.944 463 N CB 0.589 39.066 38.487 -0.017 0.000 1.113 463 N HN 0.304 nan 8.380 nan 0.000 0.502 464 E N 2.324 122.524 120.200 0.002 0.000 1.855 464 E HA -0.024 4.326 4.350 0.000 0.000 0.259 464 E C -0.589 176.022 176.600 0.018 0.000 1.229 464 E CA 0.061 56.469 56.400 0.012 0.000 1.042 464 E CB -0.110 29.602 29.700 0.021 0.000 1.079 464 E HN 0.541 nan 8.360 nan 0.000 0.434 465 S N 2.103 117.803 115.700 -0.001 0.000 2.556 465 S HA 0.305 4.775 4.470 0.000 0.000 0.280 465 S C -1.039 173.523 174.600 -0.062 0.000 1.141 465 S CA -1.218 56.982 58.200 -0.001 0.000 0.883 465 S CB 1.882 65.080 63.200 -0.002 0.000 1.103 465 S HN 0.109 nan 8.310 nan 0.000 0.453 466 E N 1.437 121.596 120.200 -0.068 0.000 2.199 466 E HA 0.581 4.931 4.350 0.000 0.000 0.269 466 E C -1.140 175.266 176.600 -0.323 0.000 0.899 466 E CA -0.582 55.659 56.400 -0.265 0.000 0.772 466 E CB 2.045 31.568 29.700 -0.295 0.000 1.155 466 E HN 0.650 nan 8.360 nan 0.000 0.408 467 I N 2.753 123.010 120.570 -0.521 0.000 2.354 467 I HA 0.315 4.486 4.170 0.000 0.000 0.292 467 I C -0.675 175.055 176.117 -0.646 0.000 0.989 467 I CA -0.276 60.797 61.300 -0.379 0.000 1.188 467 I CB 0.510 38.386 38.000 -0.207 0.000 1.342 467 I HN 0.288 nan 8.210 nan 0.000 0.457 468 F N 5.221 125.087 119.950 -0.141 0.000 2.520 468 F HA 0.700 5.227 4.527 0.000 0.000 0.322 468 F C 0.211 176.049 175.800 0.063 0.000 1.103 468 F CA -0.735 57.232 58.000 -0.055 0.000 0.926 468 F CB 1.581 40.544 39.000 -0.062 0.000 1.154 468 F HN 0.218 nan 8.300 nan 0.000 0.453 469 R N 2.261 122.857 120.500 0.160 0.000 2.807 469 R HA 0.501 4.842 4.340 0.000 0.000 0.276 469 R C -2.862 173.362 176.300 -0.127 0.000 0.979 469 R CA -2.189 53.920 56.100 0.016 0.000 0.928 469 R CB 2.000 32.297 30.300 -0.004 0.000 1.191 469 R HN 0.265 nan 8.270 nan 0.000 0.471 470 P HA 0.068 nan 4.420 nan 0.000 0.268 470 P C -0.544 176.676 177.300 -0.132 0.000 1.205 470 P CA 0.142 62.979 63.100 -0.439 0.000 0.771 470 P CB 1.231 32.517 31.700 -0.689 0.000 0.858 471 G N 0.336 109.109 108.800 -0.046 0.000 3.214 471 G HA2 0.735 4.695 3.960 0.000 0.000 0.188 471 G HA3 0.735 4.695 3.960 0.000 0.000 0.188 471 G C -0.139 174.784 174.900 0.039 0.000 1.126 471 G CA -0.344 44.760 45.100 0.006 0.000 0.796 471 G HN 0.802 nan 8.290 nan 0.000 0.631 472 G N -2.791 106.031 108.800 0.037 0.000 2.549 472 G HA2 0.466 4.426 3.960 0.000 0.000 0.404 472 G HA3 0.466 4.426 3.960 0.000 0.000 0.404 472 G C 0.855 175.778 174.900 0.037 0.000 1.292 472 G CA 0.916 46.039 45.100 0.039 0.000 0.935 472 G HN 2.560 nan 8.290 nan 0.000 0.512 473 G N -1.176 107.647 108.800 0.039 0.000 2.541 473 G HA2 0.016 3.976 3.960 0.000 0.000 0.201 473 G HA3 0.016 3.976 3.960 0.000 0.000 0.201 473 G C 0.156 175.082 174.900 0.045 0.000 1.026 473 G CA 1.044 46.172 45.100 0.046 0.000 0.687 473 G HN 1.701 nan 8.290 nan 0.000 0.492 474 D N 1.882 122.286 120.400 0.006 0.000 2.365 474 D HA 0.468 5.109 4.640 0.000 0.000 0.237 474 D C 1.876 178.099 176.300 -0.130 0.000 1.190 474 D CA -0.512 53.478 54.000 -0.016 0.000 0.867 474 D CB 0.521 41.306 40.800 -0.025 0.000 1.050 474 D HN 0.070 nan 8.370 nan 0.000 0.491 475 M N 3.166 122.675 119.600 -0.153 0.000 2.557 475 M HA -0.012 4.468 4.480 0.000 0.000 0.259 475 M C 1.656 177.369 176.300 -0.979 0.000 1.086 475 M CA 0.636 55.593 55.300 -0.573 0.000 1.096 475 M CB -0.534 31.724 32.600 -0.571 0.000 1.424 475 M HN 0.365 nan 8.290 nan 0.000 0.488 476 R N 0.527 120.723 120.500 -0.506 0.000 2.096 476 R HA -0.150 4.190 4.340 0.000 0.000 0.235 476 R C 1.647 177.799 176.300 -0.246 0.000 1.127 476 R CA 1.272 57.172 56.100 -0.333 0.000 0.968 476 R CB -0.274 29.921 30.300 -0.176 0.000 0.861 476 R HN 0.352 nan 8.270 nan 0.000 0.440 477 D N 0.317 120.593 120.400 -0.208 0.000 2.117 477 D HA -0.119 4.521 4.640 0.000 0.000 0.197 477 D C 1.404 177.613 176.300 -0.152 0.000 0.987 477 D CA 1.173 55.118 54.000 -0.092 0.000 0.829 477 D CB -0.360 40.431 40.800 -0.013 0.000 0.961 477 D HN 0.180 nan 8.370 nan 0.000 0.460 478 N N 0.347 118.831 118.700 -0.360 0.000 2.069 478 N HA -0.166 4.574 4.740 0.000 0.000 0.191 478 N C 1.799 177.287 175.510 -0.038 0.000 1.031 478 N CA 1.082 53.930 53.050 -0.336 0.000 0.852 478 N CB -0.641 37.421 38.487 -0.709 0.000 1.018 478 N HN 0.482 nan 8.380 nan 0.000 0.423 479 W N 1.047 122.383 121.300 0.059 0.000 2.388 479 W HA 0.015 4.675 4.660 0.000 0.000 0.294 479 W C 2.233 178.788 176.519 0.059 0.000 1.212 479 W CA -0.262 57.121 57.345 0.064 0.000 1.271 479 W CB -0.205 29.296 29.460 0.068 0.000 1.126 479 W HN -0.027 nan 8.180 nan 0.000 0.535 480 R N 0.974 121.582 120.500 0.181 0.000 2.127 480 R HA -0.167 4.173 4.340 0.000 0.000 0.238 480 R C 2.406 178.774 176.300 0.113 0.000 1.134 480 R CA 1.869 58.006 56.100 0.062 0.000 0.975 480 R CB -0.846 29.374 30.300 -0.133 0.000 0.865 480 R HN 0.199 nan 8.270 nan 0.000 0.447 481 S N 0.495 116.266 115.700 0.117 0.000 2.442 481 S HA -0.106 4.364 4.470 0.000 0.000 0.236 481 S C 1.492 176.290 174.600 0.330 0.000 1.007 481 S CA 0.978 59.267 58.200 0.148 0.000 0.965 481 S CB 0.065 63.322 63.200 0.094 0.000 0.773 481 S HN 0.252 nan 8.310 nan 0.000 0.504 482 E N 0.641 121.045 120.200 0.341 0.000 2.330 482 E HA 0.306 4.656 4.350 0.000 0.000 0.200 482 E C 1.679 178.487 176.600 0.347 0.000 0.922 482 E CA 0.244 56.875 56.400 0.385 0.000 0.935 482 E CB -0.068 29.847 29.700 0.357 0.000 0.917 482 E HN 0.509 nan 8.360 nan 0.000 0.491 483 L N 1.278 122.674 121.223 0.288 0.000 2.607 483 L HA 0.036 4.376 4.340 0.000 0.000 0.228 483 L C 2.090 179.041 176.870 0.135 0.000 1.123 483 L CA -0.018 54.986 54.840 0.274 0.000 0.890 483 L CB -0.343 41.835 42.059 0.198 0.000 1.103 483 L HN 0.150 nan 8.230 nan 0.000 0.468 484 Y N 1.144 121.484 120.300 0.066 0.000 2.298 484 Y HA -0.269 4.281 4.550 0.000 0.000 0.287 484 Y C 2.067 177.996 175.900 0.048 0.000 1.164 484 Y CA 1.410 59.490 58.100 -0.034 0.000 1.229 484 Y CB -0.813 37.558 38.460 -0.148 0.000 0.977 484 Y HN 0.223 nan 8.280 nan 0.000 0.538 485 K N -1.207 118.739 120.400 -0.756 0.000 2.374 485 K HA 0.175 4.495 4.320 0.000 0.000 0.196 485 K C -0.954 175.376 176.600 -0.449 0.000 1.023 485 K CA -0.243 55.622 56.287 -0.704 0.000 1.103 485 K CB -0.166 31.695 32.500 -1.065 0.000 0.848 485 K HN 0.337 nan 8.250 nan 0.000 0.528 486 Y N 1.425 121.772 120.300 0.079 0.000 2.528 486 Y HA 0.450 5.000 4.550 0.000 0.000 0.335 486 Y C -0.315 175.743 175.900 0.264 0.000 1.093 486 Y CA -1.026 57.194 58.100 0.199 0.000 1.134 486 Y CB 1.956 40.463 38.460 0.078 0.000 1.253 486 Y HN -0.148 nan 8.280 nan 0.000 0.478 487 K N 0.789 121.396 120.400 0.344 0.000 2.557 487 K HA 0.593 4.913 4.320 0.000 0.000 0.261 487 K C -2.415 174.222 176.600 0.062 0.000 0.932 487 K CA -0.733 55.608 56.287 0.089 0.000 0.829 487 K CB 2.508 34.853 32.500 -0.258 0.000 1.358 487 K HN 0.548 nan 8.250 nan 0.000 0.430 488 V N 4.546 124.475 119.914 0.026 0.000 2.435 488 V HA 0.706 4.826 4.120 0.000 0.000 0.290 488 V C -1.271 174.896 176.094 0.121 0.000 1.030 488 V CA -0.360 61.972 62.300 0.055 0.000 0.881 488 V CB 1.482 33.281 31.823 -0.040 0.000 0.983 488 V HN 0.565 nan 8.190 nan 0.000 0.445 489 V N 6.391 126.428 119.914 0.205 0.000 2.925 489 V HA 0.616 4.736 4.120 0.000 0.000 0.311 489 V C -0.378 175.820 176.094 0.174 0.000 1.104 489 V CA -1.066 61.345 62.300 0.185 0.000 0.954 489 V CB 2.541 34.389 31.823 0.043 0.000 1.022 489 V HN 1.004 nan 8.190 nan 0.000 0.427 490 K N 4.626 125.021 120.400 -0.008 0.000 2.448 490 K HA 0.386 4.706 4.320 0.000 0.000 0.278 490 K C 0.028 176.516 176.600 -0.186 0.000 1.009 490 K CA 0.373 56.462 56.287 -0.330 0.000 0.995 490 K CB 0.308 32.634 32.500 -0.289 0.000 0.917 490 K HN 0.611 nan 8.250 nan 0.000 0.481 491 I N 0.000 120.438 120.570 -0.220 0.000 2.984 491 I HA 0.000 4.170 4.170 0.000 0.000 0.288 491 I CA 0.000 61.234 61.300 -0.110 0.000 1.566 491 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494