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 2ny0_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNWcKNDMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RScNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNSTXXX XXXXXXXGSD TITLPcRIKQ IINMWQKVGK DATA SEQUENCE MMYAPPISGQ 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 0.000 176.619 176.600 0.032 0.000 1.382 83 E CA 0.000 56.424 56.400 0.040 0.000 0.976 83 E CB 0.000 29.728 29.700 0.046 0.000 0.812 84 V N 1.713 121.648 119.914 0.035 0.000 2.525 84 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 84 V C 0.161 176.271 176.094 0.027 0.000 1.034 84 V CA -0.830 61.486 62.300 0.027 0.000 0.863 84 V CB 1.200 33.038 31.823 0.025 0.000 0.999 84 V HN 0.388 nan 8.190 nan 0.000 0.423 85 V N 2.834 122.759 119.914 0.018 0.000 2.614 85 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 85 V C -0.009 176.093 176.094 0.013 0.000 1.049 85 V CA -0.308 61.999 62.300 0.012 0.000 1.038 85 V CB 0.759 32.583 31.823 0.003 0.000 0.980 85 V HN 0.682 nan 8.190 nan 0.000 0.481 86 L N 5.542 126.774 121.223 0.015 0.000 2.289 86 L HA 0.600 4.939 4.340 -0.000 0.000 0.285 86 L C 0.120 176.996 176.870 0.009 0.000 1.049 86 L CA -0.042 54.808 54.840 0.016 0.000 0.804 86 L CB 1.716 43.790 42.059 0.026 0.000 1.195 86 L HN 0.794 nan 8.230 nan 0.000 0.428 87 V N 0.555 120.475 119.914 0.008 0.000 2.435 87 V HA 0.593 4.713 4.120 -0.000 0.000 0.290 87 V C 0.477 176.576 176.094 0.007 0.000 1.030 87 V CA -0.661 61.642 62.300 0.005 0.000 0.881 87 V CB 1.360 33.185 31.823 0.004 0.000 0.983 87 V HN 0.824 nan 8.190 nan 0.000 0.445 88 N N 0.949 119.652 118.700 0.005 0.000 2.946 88 N HA -0.164 4.576 4.740 -0.000 0.000 0.228 88 N C 0.111 175.629 175.510 0.013 0.000 0.873 88 N CA 1.377 54.432 53.050 0.008 0.000 1.029 88 N CB -1.274 37.218 38.487 0.008 0.000 1.047 88 N HN 0.761 nan 8.380 nan 0.000 0.612 89 V N 1.309 121.233 119.914 0.016 0.000 2.470 89 V HA 0.277 4.397 4.120 -0.000 0.000 0.276 89 V C 0.954 177.067 176.094 0.031 0.000 1.040 89 V CA 0.428 62.743 62.300 0.025 0.000 1.008 89 V CB 1.298 33.139 31.823 0.029 0.000 0.990 89 V HN 0.286 nan 8.190 nan 0.000 0.477 90 T N 5.339 119.916 114.554 0.039 0.000 2.842 90 T HA 0.322 4.672 4.350 -0.000 0.000 0.308 90 T C -0.407 174.341 174.700 0.080 0.000 1.041 90 T CA -0.617 61.514 62.100 0.052 0.000 0.964 90 T CB 0.421 69.316 68.868 0.044 0.000 0.972 90 T HN 0.695 nan 8.240 nan 0.000 0.460 91 E N 3.680 123.955 120.200 0.125 0.000 2.214 91 E HA 0.310 4.660 4.350 -0.000 0.000 0.274 91 E C -0.361 176.387 176.600 0.246 0.000 0.977 91 E CA -0.666 55.823 56.400 0.147 0.000 0.827 91 E CB 1.335 31.120 29.700 0.141 0.000 1.130 91 E HN 0.605 nan 8.360 nan 0.000 0.394 92 N N 2.369 121.159 118.700 0.149 0.000 2.426 92 N HA 0.228 4.968 4.740 -0.000 0.000 0.275 92 N C -1.251 174.370 175.510 0.186 0.000 1.019 92 N CA -0.131 53.048 53.050 0.214 0.000 0.941 92 N CB 0.324 38.886 38.487 0.125 0.000 1.123 92 N HN 0.185 nan 8.380 nan 0.000 0.486 93 F N 1.462 121.547 119.950 0.226 0.000 2.492 93 F HA 0.382 4.909 4.527 -0.000 0.000 0.327 93 F C 0.670 176.619 175.800 0.248 0.000 1.079 93 F CA -0.902 57.264 58.000 0.276 0.000 0.967 93 F CB 1.333 40.616 39.000 0.472 0.000 1.169 93 F HN 0.349 nan 8.300 nan 0.000 0.472 94 N N 2.357 121.282 118.700 0.375 0.000 2.653 94 N HA 0.065 4.805 4.740 -0.000 0.000 0.261 94 N C 0.259 175.951 175.510 0.303 0.000 1.216 94 N CA -0.698 52.532 53.050 0.300 0.000 0.784 94 N CB 0.443 39.018 38.487 0.146 0.000 1.327 94 N HN 0.670 nan 8.380 nan 0.000 0.539 95 W N 2.023 123.418 121.300 0.158 0.000 2.421 95 W HA 0.022 4.682 4.660 -0.000 0.000 0.270 95 W C 0.190 176.763 176.519 0.091 0.000 1.233 95 W CA 0.196 57.635 57.345 0.158 0.000 1.226 95 W CB -1.398 28.166 29.460 0.172 0.000 1.121 95 W HN 0.397 nan 8.180 nan 0.000 0.579 96 c N 0.994 119.256 118.600 -0.564 0.000 2.539 96 c HA 0.174 4.744 4.570 -0.000 0.000 0.268 96 c C 1.104 175.038 174.090 -0.260 0.000 1.395 96 c CA 0.402 56.361 56.329 -0.618 0.000 1.757 96 c CB -1.107 40.989 42.510 -0.690 0.000 1.851 96 c HN 0.093 nan 8.230 nan 0.000 0.545 97 K N 2.088 122.415 120.400 -0.122 0.000 2.679 97 K HA 0.202 4.522 4.320 -0.000 0.000 0.188 97 K C -0.858 175.735 176.600 -0.012 0.000 1.055 97 K CA 0.072 56.324 56.287 -0.059 0.000 1.006 97 K CB 0.221 32.698 32.500 -0.038 0.000 1.317 97 K HN 0.109 nan 8.250 nan 0.000 0.584 98 N N 1.590 120.285 118.700 -0.007 0.000 2.504 98 N HA 0.123 4.863 4.740 -0.000 0.000 0.280 98 N C -0.181 175.321 175.510 -0.013 0.000 1.052 98 N CA -0.401 52.659 53.050 0.017 0.000 0.887 98 N CB 1.415 39.954 38.487 0.087 0.000 1.323 98 N HN 0.149 nan 8.380 nan 0.000 0.509 99 D N 3.010 123.386 120.400 -0.040 0.000 2.310 99 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 99 D C 1.551 177.814 176.300 -0.061 0.000 0.965 99 D CA 0.900 54.872 54.000 -0.047 0.000 0.879 99 D CB 0.209 40.963 40.800 -0.078 0.000 0.921 99 D HN 0.658 nan 8.370 nan 0.000 0.510 100 M N -0.241 119.266 119.600 -0.156 0.000 2.213 100 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 100 M C 2.168 178.366 176.300 -0.169 0.000 1.062 100 M CA 0.777 55.840 55.300 -0.395 0.000 1.105 100 M CB -0.055 32.147 32.600 -0.663 0.000 1.385 100 M HN -0.098 nan 8.290 nan 0.000 0.417 101 V N 0.233 120.136 119.914 -0.017 0.000 2.343 101 V HA -0.231 3.888 4.120 -0.000 0.000 0.247 101 V C 2.102 178.310 176.094 0.190 0.000 1.051 101 V CA 1.906 64.283 62.300 0.129 0.000 1.036 101 V CB -0.618 31.288 31.823 0.138 0.000 0.654 101 V HN 0.382 nan 8.190 nan 0.000 0.451 102 E N -0.458 119.816 120.200 0.124 0.000 2.047 102 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 102 E C 2.359 179.068 176.600 0.181 0.000 0.987 102 E CA 0.947 57.440 56.400 0.155 0.000 0.799 102 E CB -0.329 29.423 29.700 0.086 0.000 0.752 102 E HN 0.414 nan 8.360 nan 0.000 0.449 103 Q N -0.284 119.603 119.800 0.145 0.000 2.096 103 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 103 Q C 2.234 178.325 176.000 0.152 0.000 0.982 103 Q CA 1.382 57.284 55.803 0.165 0.000 0.850 103 Q CB -0.243 28.654 28.738 0.265 0.000 0.901 103 Q HN 0.359 nan 8.270 nan 0.000 0.422 104 M N -0.859 118.823 119.600 0.136 0.000 2.132 104 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 104 M C 2.000 178.243 176.300 -0.096 0.000 1.065 104 M CA 1.727 57.014 55.300 -0.022 0.000 1.122 104 M CB -0.221 32.285 32.600 -0.158 0.000 1.365 104 M HN 0.216 nan 8.290 nan 0.000 0.411 105 H N 0.565 119.644 119.070 0.014 0.000 2.387 105 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 105 H C 1.776 177.232 175.328 0.214 0.000 1.099 105 H CA 2.292 58.508 56.048 0.280 0.000 1.315 105 H CB 0.097 30.127 29.762 0.447 0.000 1.380 105 H HN 0.464 nan 8.280 nan 0.000 0.513 106 E N -0.063 120.223 120.200 0.144 0.000 2.107 106 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 106 E C 1.685 178.305 176.600 0.032 0.000 0.982 106 E CA 0.935 57.373 56.400 0.064 0.000 0.809 106 E CB 0.004 29.755 29.700 0.085 0.000 0.756 106 E HN 0.650 nan 8.360 nan 0.000 0.459 107 D N 0.919 121.336 120.400 0.028 0.000 2.144 107 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 107 D C 2.137 178.466 176.300 0.048 0.000 0.978 107 D CA 0.614 54.627 54.000 0.023 0.000 0.833 107 D CB -0.026 40.772 40.800 -0.003 0.000 0.961 107 D HN 0.181 nan 8.370 nan 0.000 0.470 108 I N 0.779 121.356 120.570 0.012 0.000 2.315 108 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 108 I C 2.435 178.712 176.117 0.268 0.000 1.117 108 I CA 0.464 61.826 61.300 0.104 0.000 1.404 108 I CB -0.024 37.915 38.000 -0.101 0.000 1.071 108 I HN -0.067 nan 8.210 nan 0.000 0.419 109 I N 0.592 121.248 120.570 0.143 0.000 2.163 109 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 109 I C 2.769 178.961 176.117 0.126 0.000 1.085 109 I CA 1.995 63.310 61.300 0.025 0.000 1.347 109 I CB -0.287 37.602 38.000 -0.186 0.000 1.044 109 I HN 0.319 nan 8.210 nan 0.000 0.408 110 S N 0.603 116.368 115.700 0.108 0.000 2.453 110 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 110 S C 1.935 176.640 174.600 0.175 0.000 1.005 110 S CA 0.537 58.804 58.200 0.112 0.000 0.949 110 S CB -0.434 62.806 63.200 0.068 0.000 0.774 110 S HN 0.368 nan 8.310 nan 0.000 0.510 111 L N -0.501 120.870 121.223 0.246 0.000 2.376 111 L HA 0.275 4.615 4.340 -0.000 0.000 0.219 111 L C 1.738 178.843 176.870 0.393 0.000 1.133 111 L CA 1.136 56.152 54.840 0.293 0.000 0.816 111 L CB -0.401 41.849 42.059 0.320 0.000 0.933 111 L HN 0.378 nan 8.230 nan 0.000 0.449 112 W N -0.430 120.971 121.300 0.169 0.000 2.576 112 W HA 0.013 4.673 4.660 -0.000 0.000 0.275 112 W C 2.170 178.726 176.519 0.062 0.000 1.241 112 W CA 0.474 57.905 57.345 0.143 0.000 1.328 112 W CB -0.174 29.462 29.460 0.293 0.000 1.092 112 W HN 0.142 nan 8.180 nan 0.000 0.586 113 D N -0.218 120.342 120.400 0.266 0.000 2.097 113 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 113 D C 1.981 178.333 176.300 0.085 0.000 0.984 113 D CA 1.652 55.739 54.000 0.145 0.000 0.826 113 D CB -0.878 39.981 40.800 0.098 0.000 0.973 113 D HN 0.400 nan 8.370 nan 0.000 0.460 114 Q N -0.210 119.639 119.800 0.082 0.000 2.482 114 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 114 Q C 1.640 177.657 176.000 0.029 0.000 0.961 114 Q CA 0.787 56.622 55.803 0.052 0.000 0.945 114 Q CB 0.370 29.142 28.738 0.057 0.000 1.012 114 Q HN 0.011 nan 8.270 nan 0.000 0.515 115 S N -0.169 115.527 115.700 -0.005 0.000 2.748 115 S HA 0.258 4.728 4.470 -0.000 0.000 0.241 115 S C 0.449 174.933 174.600 -0.193 0.000 1.064 115 S CA -0.450 57.701 58.200 -0.083 0.000 0.892 115 S CB 0.425 63.574 63.200 -0.086 0.000 0.810 115 S HN 0.374 nan 8.310 nan 0.000 0.555 116 L N 3.306 124.357 121.223 -0.287 0.000 2.426 116 L HA 0.448 4.788 4.340 -0.000 0.000 0.255 116 L C -1.221 175.718 176.870 0.115 0.000 1.080 116 L CA -0.268 54.429 54.840 -0.238 0.000 0.960 116 L CB 0.666 42.333 42.059 -0.653 0.000 1.326 116 L HN 0.164 nan 8.230 nan 0.000 0.441 117 K N 4.297 124.768 120.400 0.119 0.000 2.234 117 K HA 0.389 4.709 4.320 -0.000 0.000 0.282 117 K C -2.414 174.219 176.600 0.054 0.000 1.039 117 K CA -1.655 54.690 56.287 0.097 0.000 0.928 117 K CB 0.966 33.486 32.500 0.034 0.000 1.039 117 K HN 0.225 nan 8.250 nan 0.000 0.470 118 P HA 0.140 nan 4.420 nan 0.000 0.282 118 P C 0.171 177.294 177.300 -0.297 0.000 1.249 118 P CA -0.585 62.129 63.100 -0.643 0.000 0.806 118 P CB 0.814 32.122 31.700 -0.655 0.000 0.984 119 c N 1.257 119.698 118.600 -0.266 0.000 2.429 119 c HA 0.034 4.604 4.570 -0.000 0.000 0.277 119 c C 1.176 175.198 174.090 -0.114 0.000 1.262 119 c CA 0.473 56.728 56.329 -0.122 0.000 1.733 119 c CB -0.541 41.926 42.510 -0.071 0.000 2.010 119 c HN 0.334 nan 8.230 nan 0.000 0.483 120 V N 0.400 120.225 119.914 -0.148 0.000 2.841 120 V HA 0.463 4.583 4.120 -0.000 0.000 0.310 120 V C -0.617 175.400 176.094 -0.129 0.000 1.090 120 V CA -0.652 61.583 62.300 -0.108 0.000 0.930 120 V CB 2.073 33.850 31.823 -0.076 0.000 1.014 120 V HN 0.331 nan 8.190 nan 0.000 0.425 121 K N 4.271 124.615 120.400 -0.093 0.000 2.507 121 K HA 0.730 5.050 4.320 -0.000 0.000 0.251 121 K C -2.020 174.545 176.600 -0.058 0.000 0.943 121 K CA -0.616 55.622 56.287 -0.083 0.000 0.794 121 K CB 1.719 34.172 32.500 -0.078 0.000 1.188 121 K HN 0.653 nan 8.250 nan 0.000 0.428 122 L N 4.039 125.230 121.223 -0.053 0.000 2.349 122 L HA 0.504 4.843 4.340 -0.000 0.000 0.278 122 L C -0.555 176.291 176.870 -0.041 0.000 0.996 122 L CA -0.841 53.974 54.840 -0.043 0.000 0.825 122 L CB 1.985 44.020 42.059 -0.039 0.000 1.243 122 L HN 0.835 nan 8.230 nan 0.000 0.412 123 T N 0.330 114.862 114.554 -0.036 0.000 2.893 123 T HA 0.613 4.963 4.350 -0.000 0.000 0.293 123 T C -2.788 171.894 174.700 -0.029 0.000 1.027 123 T CA -2.040 60.039 62.100 -0.035 0.000 0.988 123 T CB 2.276 71.122 68.868 -0.038 0.000 1.043 123 T HN 0.222 nan 8.240 nan 0.000 0.461 124 P HA 0.426 nan 4.420 nan 0.000 0.272 124 P C -0.970 176.318 177.300 -0.020 0.000 1.240 124 P CA -0.599 62.488 63.100 -0.022 0.000 0.791 124 P CB 0.698 32.385 31.700 -0.021 0.000 0.978 125 L N 2.383 123.596 121.223 -0.017 0.000 2.588 125 L HA 0.243 4.583 4.340 -0.000 0.000 0.256 125 L C -0.872 175.991 176.870 -0.012 0.000 1.083 125 L CA -0.166 54.665 54.840 -0.014 0.000 0.909 125 L CB -0.116 41.934 42.059 -0.014 0.000 1.121 125 L HN 0.314 nan 8.230 nan 0.000 0.470 126 c N 2.271 120.864 118.600 -0.012 0.000 2.469 126 c HA 0.236 4.806 4.570 -0.000 0.000 0.298 126 c C 1.977 176.062 174.090 -0.009 0.000 1.436 126 c CA 0.061 56.384 56.329 -0.010 0.000 1.783 126 c CB -0.476 42.027 42.510 -0.011 0.000 2.726 126 c HN 0.677 nan 8.230 nan 0.000 0.541 127 V N 2.242 122.151 119.914 -0.008 0.000 2.332 127 V HA 0.007 4.127 4.120 -0.000 0.000 0.248 127 V C 1.661 177.751 176.094 -0.006 0.000 1.055 127 V CA 2.439 64.735 62.300 -0.007 0.000 1.038 127 V CB -0.672 31.147 31.823 -0.006 0.000 0.651 127 V HN 0.666 nan 8.190 nan 0.000 0.450 128 G N -0.678 108.118 108.800 -0.006 0.000 2.441 128 G HA2 0.490 4.450 3.960 -0.000 0.000 0.243 128 G HA3 0.490 4.450 3.960 -0.000 0.000 0.243 128 G C -0.006 174.891 174.900 -0.006 0.000 1.281 128 G CA 0.203 45.299 45.100 -0.006 0.000 0.854 128 G HN 0.869 nan 8.290 nan 0.000 0.560 195 S N -0.431 115.265 115.700 -0.007 0.000 2.568 195 S HA 0.410 4.880 4.470 -0.000 0.000 0.282 195 S C 0.337 174.932 174.600 -0.008 0.000 1.338 195 S CA -0.200 57.995 58.200 -0.008 0.000 1.045 195 S CB 0.944 64.139 63.200 -0.008 0.000 0.873 195 S HN 0.688 nan 8.310 nan 0.000 0.516 196 c N 2.874 121.468 118.600 -0.009 0.000 2.422 196 c HA 0.521 5.091 4.570 -0.000 0.000 0.364 196 c C 0.712 174.795 174.090 -0.011 0.000 1.251 196 c CA -0.557 55.766 56.329 -0.011 0.000 2.441 196 c CB 0.218 42.721 42.510 -0.012 0.000 2.393 196 c HN 0.841 nan 8.230 nan 0.000 0.606 197 N N -0.170 118.523 118.700 -0.012 0.000 2.264 197 N HA 0.443 5.183 4.740 -0.000 0.000 0.288 197 N C -1.571 173.930 175.510 -0.015 0.000 1.094 197 N CA -0.114 52.928 53.050 -0.013 0.000 0.817 197 N CB 2.257 40.736 38.487 -0.012 0.000 1.604 197 N HN 0.640 nan 8.380 nan 0.000 0.473 198 T N 0.681 115.225 114.554 -0.016 0.000 2.770 198 T HA 0.231 4.581 4.350 -0.000 0.000 0.283 198 T C 0.108 174.796 174.700 -0.020 0.000 0.988 198 T CA -0.379 61.710 62.100 -0.019 0.000 0.957 198 T CB 0.891 69.747 68.868 -0.021 0.000 0.930 198 T HN 0.383 nan 8.240 nan 0.000 0.443 199 S N 3.242 118.930 115.700 -0.021 0.000 2.505 199 S HA 0.409 4.879 4.470 -0.000 0.000 0.276 199 S C -0.214 174.371 174.600 -0.025 0.000 1.274 199 S CA -0.542 57.645 58.200 -0.021 0.000 1.053 199 S CB -0.025 63.163 63.200 -0.021 0.000 0.919 199 S HN 0.476 nan 8.310 nan 0.000 0.490 200 V N 7.106 127.005 119.914 -0.024 0.000 2.448 200 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 200 V C -0.228 175.849 176.094 -0.028 0.000 1.025 200 V CA -0.631 61.653 62.300 -0.028 0.000 0.859 200 V CB 1.400 33.208 31.823 -0.026 0.000 0.988 200 V HN 0.869 nan 8.190 nan 0.000 0.431 201 I N 3.595 124.145 120.570 -0.034 0.000 2.433 201 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 201 I C -0.088 176.005 176.117 -0.041 0.000 1.001 201 I CA -0.025 61.254 61.300 -0.034 0.000 1.119 201 I CB 2.341 40.321 38.000 -0.033 0.000 1.289 201 I HN 0.550 nan 8.210 nan 0.000 0.438 202 T N 6.189 120.722 114.554 -0.034 0.000 2.824 202 T HA 0.596 4.945 4.350 -0.000 0.000 0.282 202 T C -0.925 173.757 174.700 -0.031 0.000 0.993 202 T CA -0.741 61.337 62.100 -0.036 0.000 0.967 202 T CB 1.520 70.370 68.868 -0.029 0.000 0.960 202 T HN 0.673 nan 8.240 nan 0.000 0.441 203 Q N 0.986 120.765 119.800 -0.034 0.000 2.575 203 Q HA 0.743 5.083 4.340 -0.000 0.000 0.290 203 Q C -1.349 174.638 176.000 -0.022 0.000 0.963 203 Q CA -1.447 54.341 55.803 -0.025 0.000 0.783 203 Q CB 1.463 30.186 28.738 -0.024 0.000 1.467 203 Q HN 0.671 nan 8.270 nan 0.000 0.402 204 A N 0.619 123.433 122.820 -0.011 0.000 2.520 204 A HA 0.401 4.720 4.320 -0.000 0.000 0.245 204 A C 0.382 177.966 177.584 0.000 0.000 1.072 204 A CA 0.040 52.075 52.037 -0.004 0.000 0.761 204 A CB -0.538 18.463 19.000 0.001 0.000 1.004 204 A HN 0.929 nan 8.150 nan 0.000 0.499 205 c N 1.917 120.522 118.600 0.009 0.000 3.169 205 c HA 0.560 5.130 4.570 -0.000 0.000 0.232 205 c C -2.521 171.598 174.090 0.049 0.000 1.316 205 c CA -2.276 54.070 56.329 0.029 0.000 1.545 205 c CB -0.924 41.598 42.510 0.020 0.000 1.785 205 c HN 0.676 nan 8.230 nan 0.000 0.454 206 P HA 0.127 nan 4.420 nan 0.000 0.266 206 P C -0.078 177.243 177.300 0.035 0.000 1.195 206 P CA 0.708 63.825 63.100 0.029 0.000 0.768 206 P CB 0.678 32.389 31.700 0.018 0.000 0.838 207 K N 1.880 122.297 120.400 0.028 0.000 2.379 207 K HA 0.308 4.628 4.320 -0.000 0.000 0.284 207 K C -0.345 176.255 176.600 0.000 0.000 1.044 207 K CA -0.268 56.029 56.287 0.017 0.000 0.974 207 K CB 0.788 33.297 32.500 0.015 0.000 0.962 207 K HN 0.227 nan 8.250 nan 0.000 0.474 208 V N 2.014 121.915 119.914 -0.022 0.000 2.577 208 V HA 0.156 4.276 4.120 -0.000 0.000 0.303 208 V C -0.247 175.842 176.094 -0.009 0.000 1.042 208 V CA -0.520 61.770 62.300 -0.016 0.000 0.872 208 V CB 1.989 33.796 31.823 -0.028 0.000 0.998 208 V HN 0.744 nan 8.190 nan 0.000 0.423 209 S N 7.743 123.452 115.700 0.015 0.000 4.175 209 S HA 0.256 4.726 4.470 -0.000 0.000 0.193 209 S C -0.060 174.572 174.600 0.053 0.000 1.373 209 S CA -0.222 57.989 58.200 0.017 0.000 0.908 209 S CB -0.945 62.258 63.200 0.004 0.000 1.547 209 S HN 0.607 nan 8.310 nan 0.000 0.440 210 F N 3.173 123.030 119.950 -0.156 0.000 2.623 210 F HA 0.065 4.592 4.527 -0.000 0.000 0.381 210 F C 0.675 176.390 175.800 -0.141 0.000 1.081 210 F CA 0.055 57.942 58.000 -0.187 0.000 1.293 210 F CB 0.257 39.071 39.000 -0.311 0.000 1.006 210 F HN 0.358 nan 8.300 nan 0.000 0.578 211 E N 6.329 126.200 120.200 -0.548 0.000 2.551 211 E HA 0.356 4.706 4.350 -0.000 0.000 0.321 211 E C -2.848 173.447 176.600 -0.508 0.000 0.975 211 E CA -1.635 54.506 56.400 -0.432 0.000 0.784 211 E CB 0.457 30.036 29.700 -0.202 0.000 1.493 211 E HN 0.202 nan 8.360 nan 0.000 0.385 212 P HA 0.121 nan 4.420 nan 0.000 0.261 212 P C -0.581 176.596 177.300 -0.206 0.000 1.203 212 P CA -0.235 62.623 63.100 -0.404 0.000 0.767 212 P CB 0.137 31.673 31.700 -0.274 0.000 0.785 213 I N 7.039 127.517 120.570 -0.153 0.000 2.529 213 I HA 0.181 4.351 4.170 -0.000 0.000 0.284 213 I C -1.850 174.221 176.117 -0.078 0.000 1.082 213 I CA -2.578 58.671 61.300 -0.086 0.000 1.406 213 I CB -0.115 37.855 38.000 -0.049 0.000 1.405 213 I HN 0.284 nan 8.210 nan 0.000 0.548 214 P HA 0.140 nan 4.420 nan 0.000 0.262 214 P C -0.736 176.452 177.300 -0.186 0.000 1.182 214 P CA 0.349 63.364 63.100 -0.141 0.000 0.761 214 P CB 0.173 31.783 31.700 -0.151 0.000 0.795 215 I N 3.736 124.170 120.570 -0.227 0.000 2.412 215 I HA 0.293 4.463 4.170 -0.000 0.000 0.296 215 I C 0.727 176.658 176.117 -0.311 0.000 0.987 215 I CA -0.766 60.428 61.300 -0.177 0.000 1.180 215 I CB 1.061 38.989 38.000 -0.121 0.000 1.340 215 I HN 0.325 nan 8.210 nan 0.000 0.455 216 H N 4.874 123.894 119.070 -0.084 0.000 2.457 216 H HA 0.217 4.773 4.556 -0.000 0.000 0.335 216 H C -1.355 173.931 175.328 -0.071 0.000 1.115 216 H CA -0.574 55.419 56.048 -0.092 0.000 1.219 216 H CB 2.153 31.872 29.762 -0.072 0.000 1.471 216 H HN 0.493 nan 8.280 nan 0.000 0.491 217 Y N 2.518 122.756 120.300 -0.103 0.000 2.367 217 Y HA 0.244 4.794 4.550 -0.000 0.000 0.342 217 Y C -0.653 175.193 175.900 -0.091 0.000 0.979 217 Y CA -0.733 57.298 58.100 -0.115 0.000 1.161 217 Y CB 0.351 38.707 38.460 -0.173 0.000 1.155 217 Y HN 0.575 nan 8.280 nan 0.000 0.503 218 c N 4.706 123.106 118.600 -0.334 0.000 2.454 218 c HA 0.797 5.367 4.570 -0.000 0.000 0.336 218 c C 0.263 174.184 174.090 -0.281 0.000 1.189 218 c CA -1.056 55.159 56.329 -0.190 0.000 1.877 218 c CB 0.718 43.147 42.510 -0.135 0.000 2.348 218 c HN 1.000 nan 8.230 nan 0.000 0.508 219 A N 4.156 126.950 122.820 -0.044 0.000 2.522 219 A HA 0.468 4.787 4.320 -0.000 0.000 0.256 219 A C -1.621 175.966 177.584 0.004 0.000 1.086 219 A CA -0.302 51.762 52.037 0.045 0.000 0.763 219 A CB -0.521 18.551 19.000 0.119 0.000 1.024 219 A HN 0.777 nan 8.150 nan 0.000 0.502 220 P HA 0.369 nan 4.420 nan 0.000 0.274 220 P C -0.055 177.345 177.300 0.168 0.000 1.246 220 P CA -0.268 62.867 63.100 0.058 0.000 0.795 220 P CB 0.691 32.426 31.700 0.057 0.000 1.006 221 A N 0.808 123.696 122.820 0.113 0.000 2.573 221 A HA 0.357 4.677 4.320 -0.000 0.000 0.250 221 A C 1.445 179.080 177.584 0.086 0.000 1.049 221 A CA 0.890 52.975 52.037 0.081 0.000 0.767 221 A CB -1.695 17.332 19.000 0.045 0.000 0.965 221 A HN 0.987 nan 8.150 nan 0.000 0.514 222 G N 1.048 109.841 108.800 -0.012 0.000 2.176 222 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.232 222 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.232 222 G C -0.076 174.571 174.900 -0.422 0.000 0.986 222 G CA 0.330 45.301 45.100 -0.215 0.000 0.643 222 G HN 0.793 nan 8.290 nan 0.000 0.522 223 F N 0.497 120.462 119.950 0.025 0.000 2.611 223 F HA 0.841 5.368 4.527 -0.000 0.000 0.324 223 F C 0.406 176.232 175.800 0.043 0.000 1.061 223 F CA -0.336 57.687 58.000 0.038 0.000 0.954 223 F CB 2.237 41.271 39.000 0.057 0.000 1.301 223 F HN 0.386 nan 8.300 nan 0.000 0.482 224 A N 1.201 124.185 122.820 0.275 0.000 2.498 224 A HA 0.823 5.142 4.320 -0.000 0.000 0.298 224 A C -1.350 176.342 177.584 0.180 0.000 1.075 224 A CA -0.641 51.502 52.037 0.177 0.000 0.714 224 A CB 1.122 20.190 19.000 0.114 0.000 1.299 224 A HN 0.658 nan 8.150 nan 0.000 0.407 225 I N 2.119 122.788 120.570 0.165 0.000 2.304 225 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 225 I C -0.970 175.261 176.117 0.190 0.000 1.018 225 I CA -0.545 60.865 61.300 0.182 0.000 1.260 225 I CB 1.036 39.152 38.000 0.193 0.000 1.390 225 I HN 0.362 nan 8.210 nan 0.000 0.475 226 L N 7.415 128.748 121.223 0.184 0.000 2.312 226 L HA 0.426 4.765 4.340 -0.000 0.000 0.281 226 L C 0.051 177.131 176.870 0.349 0.000 1.070 226 L CA -0.190 54.775 54.840 0.208 0.000 0.805 226 L CB 1.016 43.142 42.059 0.112 0.000 1.174 226 L HN 0.504 nan 8.230 nan 0.000 0.434 227 K N 2.743 123.309 120.400 0.277 0.000 2.376 227 K HA 0.387 4.707 4.320 -0.000 0.000 0.257 227 K C -1.183 175.382 176.600 -0.059 0.000 0.939 227 K CA -0.519 55.839 56.287 0.119 0.000 0.809 227 K CB 1.593 34.140 32.500 0.078 0.000 1.121 227 K HN 0.669 nan 8.250 nan 0.000 0.425 228 c N 4.557 122.932 118.600 -0.376 0.000 2.499 228 c HA 0.320 4.890 4.570 -0.000 0.000 0.386 228 c C 0.876 174.700 174.090 -0.444 0.000 1.293 228 c CA -0.488 55.449 56.329 -0.654 0.000 1.884 228 c CB -0.648 40.985 42.510 -1.462 0.000 2.509 228 c HN 0.919 nan 8.230 nan 0.000 0.566 229 N N 3.198 121.703 118.700 -0.324 0.000 2.299 229 N HA 0.030 4.770 4.740 -0.000 0.000 0.187 229 N C -0.186 175.218 175.510 -0.178 0.000 1.099 229 N CA 0.219 53.147 53.050 -0.205 0.000 0.867 229 N CB -0.189 38.219 38.487 -0.131 0.000 0.974 229 N HN 0.678 nan 8.380 nan 0.000 0.477 230 N N 1.843 120.402 118.700 -0.235 0.000 2.294 230 N HA -0.055 4.685 4.740 -0.000 0.000 0.263 230 N C 1.165 176.640 175.510 -0.059 0.000 1.281 230 N CA 0.388 53.355 53.050 -0.138 0.000 0.846 230 N CB 0.734 39.135 38.487 -0.144 0.000 1.061 230 N HN 0.178 nan 8.380 nan 0.000 0.478 231 K N 0.509 120.886 120.400 -0.039 0.000 2.211 231 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 231 K C 0.004 176.605 176.600 0.002 0.000 1.050 231 K CA 0.998 57.272 56.287 -0.022 0.000 0.945 231 K CB 0.210 32.693 32.500 -0.029 0.000 0.732 231 K HN 0.444 nan 8.250 nan 0.000 0.451 232 T N 1.146 115.706 114.554 0.010 0.000 3.150 232 T HA 0.229 4.579 4.350 -0.000 0.000 0.383 232 T C -1.383 173.352 174.700 0.059 0.000 1.313 232 T CA -0.517 61.583 62.100 -0.000 0.000 1.235 232 T CB 0.041 68.886 68.868 -0.038 0.000 1.088 232 T HN -0.042 nan 8.240 nan 0.000 0.556 233 F N 4.093 123.971 119.950 -0.120 0.000 2.458 233 F HA 0.437 4.963 4.527 -0.000 0.000 0.336 233 F C 0.837 176.496 175.800 -0.235 0.000 1.114 233 F CA -1.862 56.053 58.000 -0.142 0.000 0.987 233 F CB 1.364 40.287 39.000 -0.130 0.000 1.130 233 F HN 0.362 nan 8.300 nan 0.000 0.458 234 N N 2.782 121.008 118.700 -0.790 0.000 2.383 234 N HA 0.179 4.919 4.740 -0.000 0.000 0.192 234 N C 1.287 176.134 175.510 -1.105 0.000 1.141 234 N CA 0.607 53.181 53.050 -0.794 0.000 0.851 234 N CB 0.102 38.324 38.487 -0.441 0.000 0.976 234 N HN 0.942 nan 8.380 nan 0.000 0.465 235 G N -0.789 107.039 108.800 -1.620 0.000 2.205 235 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 235 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 235 G C 0.106 174.856 174.900 -0.249 0.000 0.980 235 G CA 0.789 45.340 45.100 -0.914 0.000 0.632 235 G HN 0.858 nan 8.290 nan 0.000 0.533 236 T N -2.017 112.324 114.554 -0.355 0.000 2.893 236 T HA 0.891 5.241 4.350 -0.000 0.000 0.291 236 T C 0.706 175.468 174.700 0.104 0.000 1.028 236 T CA 0.514 62.658 62.100 0.072 0.000 0.995 236 T CB 2.461 71.410 68.868 0.135 0.000 1.051 236 T HN 2.293 nan 8.240 nan 0.000 0.470 237 G N 2.003 110.942 108.800 0.232 0.000 2.660 237 G HA2 0.060 4.019 3.960 -0.000 0.000 0.247 237 G HA3 0.060 4.019 3.960 -0.000 0.000 0.247 237 G C -3.176 171.929 174.900 0.342 0.000 1.328 237 G CA -0.639 44.602 45.100 0.234 0.000 0.884 237 G HN 0.850 nan 8.290 nan 0.000 0.531 238 P HA 0.472 nan 4.420 nan 0.000 0.285 238 P C -0.347 177.059 177.300 0.177 0.000 1.259 238 P CA -0.219 63.014 63.100 0.221 0.000 0.794 238 P CB 1.569 33.349 31.700 0.134 0.000 0.940 239 c N 3.735 122.383 118.600 0.080 0.000 2.298 239 c HA 0.382 4.952 4.570 -0.000 0.000 0.323 239 c C 1.891 175.928 174.090 -0.087 0.000 1.284 239 c CA 0.086 56.292 56.329 -0.205 0.000 1.577 239 c CB -0.362 41.744 42.510 -0.673 0.000 2.249 239 c HN 0.742 nan 8.230 nan 0.000 0.497 240 T N 1.550 116.050 114.554 -0.090 0.000 2.978 240 T HA 0.017 4.367 4.350 -0.000 0.000 0.262 240 T C 0.672 175.336 174.700 -0.060 0.000 1.063 240 T CA 0.644 62.717 62.100 -0.045 0.000 1.140 240 T CB -0.253 68.598 68.868 -0.029 0.000 0.886 240 T HN 0.653 nan 8.240 nan 0.000 0.470 241 N N 1.721 120.355 118.700 -0.110 0.000 2.678 241 N HA 0.385 5.125 4.740 -0.000 0.000 0.231 241 N C -1.391 174.044 175.510 -0.125 0.000 1.038 241 N CA -0.470 52.520 53.050 -0.100 0.000 0.932 241 N CB 1.103 39.528 38.487 -0.103 0.000 1.176 241 N HN 0.273 nan 8.380 nan 0.000 0.511 242 V N 2.254 122.130 119.914 -0.063 0.000 2.735 242 V HA 0.836 4.956 4.120 -0.000 0.000 0.310 242 V C -0.522 175.578 176.094 0.011 0.000 1.061 242 V CA -0.432 61.852 62.300 -0.028 0.000 0.913 242 V CB 1.796 33.654 31.823 0.058 0.000 1.005 242 V HN 0.656 nan 8.190 nan 0.000 0.428 243 S N 3.577 119.293 115.700 0.028 0.000 2.709 243 S HA 0.769 5.239 4.470 -0.000 0.000 0.302 243 S C -0.421 174.228 174.600 0.081 0.000 1.127 243 S CA -0.747 57.480 58.200 0.045 0.000 0.905 243 S CB 1.957 65.176 63.200 0.031 0.000 1.151 243 S HN 0.892 nan 8.310 nan 0.000 0.510 244 T N 1.287 115.887 114.554 0.078 0.000 2.859 244 T HA 0.724 5.074 4.350 -0.000 0.000 0.281 244 T C -0.217 174.543 174.700 0.100 0.000 1.005 244 T CA -0.596 61.561 62.100 0.095 0.000 1.025 244 T CB 1.173 70.086 68.868 0.075 0.000 0.977 244 T HN 1.217 nan 8.240 nan 0.000 0.458 245 V N 1.024 121.013 119.914 0.125 0.000 2.962 245 V HA 0.510 4.630 4.120 -0.000 0.000 0.313 245 V C 0.770 176.924 176.094 0.100 0.000 1.099 245 V CA -0.946 61.426 62.300 0.121 0.000 0.971 245 V CB 2.123 34.050 31.823 0.173 0.000 1.028 245 V HN 0.687 nan 8.190 nan 0.000 0.430 246 Q N 0.810 120.653 119.800 0.072 0.000 1.967 246 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 246 Q C 0.500 176.529 176.000 0.048 0.000 0.985 246 Q CA 2.032 57.863 55.803 0.048 0.000 0.839 246 Q CB -0.033 28.718 28.738 0.022 0.000 0.906 246 Q HN 0.919 nan 8.270 nan 0.000 0.423 247 c N -0.514 118.113 118.600 0.045 0.000 3.044 247 c HA 0.460 5.030 4.570 -0.000 0.000 0.315 247 c C 0.747 174.848 174.090 0.019 0.000 1.320 247 c CA -0.931 55.420 56.329 0.036 0.000 1.582 247 c CB 1.222 43.742 42.510 0.016 0.000 2.039 247 c HN 0.579 nan 8.230 nan 0.000 0.466 248 T N -0.663 113.830 114.554 -0.101 0.000 2.698 248 T HA 0.251 4.601 4.350 -0.000 0.000 0.295 248 T C 0.318 175.011 174.700 -0.012 0.000 1.007 248 T CA 0.068 61.957 62.100 -0.351 0.000 0.980 248 T CB 0.112 68.528 68.868 -0.754 0.000 1.036 248 T HN 0.886 nan 8.240 nan 0.000 0.526 249 H N -0.663 118.441 119.070 0.056 0.000 2.660 249 H HA 0.321 4.877 4.556 -0.000 0.000 0.374 249 H C 0.749 176.052 175.328 -0.043 0.000 1.291 249 H CA -0.498 55.613 56.048 0.104 0.000 1.437 249 H CB -0.336 29.506 29.762 0.133 0.000 1.509 249 H HN 0.925 nan 8.280 nan 0.000 0.614 250 G N 1.906 110.623 108.800 -0.140 0.000 2.356 250 G HA2 0.311 4.271 3.960 -0.000 0.000 0.273 250 G HA3 0.311 4.271 3.960 -0.000 0.000 0.273 250 G C 0.070 174.794 174.900 -0.293 0.000 1.213 250 G CA -0.537 44.253 45.100 -0.517 0.000 0.955 250 G HN 0.513 nan 8.290 nan 0.000 0.454 251 I N 2.599 122.947 120.570 -0.369 0.000 2.353 251 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 251 I C 0.534 176.584 176.117 -0.112 0.000 0.992 251 I CA -0.718 60.469 61.300 -0.189 0.000 1.268 251 I CB 1.479 39.358 38.000 -0.202 0.000 1.387 251 I HN 0.385 nan 8.210 nan 0.000 0.478 252 R N 7.329 127.822 120.500 -0.011 0.000 2.216 252 R HA 0.253 4.593 4.340 -0.000 0.000 0.332 252 R C -2.002 174.341 176.300 0.072 0.000 1.056 252 R CA -1.385 54.718 56.100 0.004 0.000 0.901 252 R CB 0.507 30.819 30.300 0.019 0.000 1.039 252 R HN 0.363 nan 8.270 nan 0.000 0.456 253 P HA 0.044 nan 4.420 nan 0.000 0.225 253 P C -0.138 177.344 177.300 0.304 0.000 1.768 253 P CA -0.047 63.099 63.100 0.077 0.000 0.943 253 P CB 0.068 31.773 31.700 0.009 0.000 1.936 254 V N 1.525 121.620 119.914 0.302 0.000 2.555 254 V HA 0.033 4.153 4.120 -0.000 0.000 0.286 254 V C 0.853 177.057 176.094 0.184 0.000 1.044 254 V CA -0.154 62.278 62.300 0.220 0.000 1.026 254 V CB 1.583 33.476 31.823 0.116 0.000 0.981 254 V HN 0.049 nan 8.190 nan 0.000 0.480 255 V N 6.006 125.981 119.914 0.101 0.000 2.333 255 V HA 0.627 4.747 4.120 -0.000 0.000 0.274 255 V C 0.180 176.125 176.094 -0.248 0.000 1.028 255 V CA 0.154 62.314 62.300 -0.234 0.000 0.851 255 V CB 1.148 32.638 31.823 -0.556 0.000 1.000 255 V HN 1.103 nan 8.190 nan 0.000 0.456 256 S N 3.315 118.914 115.700 -0.168 0.000 2.588 256 S HA 0.785 5.255 4.470 -0.000 0.000 0.269 256 S C -0.571 174.123 174.600 0.157 0.000 1.157 256 S CA -0.431 57.752 58.200 -0.029 0.000 0.824 256 S CB 2.142 65.376 63.200 0.057 0.000 1.126 256 S HN 0.889 nan 8.310 nan 0.000 0.464 257 S N 0.326 116.220 115.700 0.323 0.000 2.664 257 S HA 0.674 5.144 4.470 -0.000 0.000 0.304 257 S C 0.501 175.297 174.600 0.327 0.000 1.099 257 S CA -0.090 58.288 58.200 0.297 0.000 1.003 257 S CB 1.159 64.555 63.200 0.326 0.000 1.092 257 S HN 1.068 nan 8.310 nan 0.000 0.525 258 Q N -1.156 118.771 119.800 0.213 0.000 2.306 258 Q HA -0.254 4.086 4.340 -0.000 0.000 0.179 258 Q C -0.552 175.541 176.000 0.155 0.000 2.892 258 Q CA 1.961 57.873 55.803 0.181 0.000 0.250 258 Q CB -1.525 27.358 28.738 0.242 0.000 0.245 258 Q HN 0.768 nan 8.270 nan 0.000 0.415 259 L N 1.371 122.673 121.223 0.133 0.000 2.365 259 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 259 L C -0.336 176.571 176.870 0.062 0.000 1.000 259 L CA -0.666 54.188 54.840 0.024 0.000 0.819 259 L CB 1.458 43.350 42.059 -0.279 0.000 1.284 259 L HN 0.058 nan 8.230 nan 0.000 0.418 260 L N 4.520 125.774 121.223 0.051 0.000 2.276 260 L HA 0.506 4.846 4.340 -0.000 0.000 0.286 260 L C -0.563 176.324 176.870 0.028 0.000 1.061 260 L CA -0.274 54.595 54.840 0.049 0.000 0.807 260 L CB 0.986 43.083 42.059 0.063 0.000 1.177 260 L HN 0.415 nan 8.230 nan 0.000 0.429 261 L N 4.024 125.260 121.223 0.021 0.000 2.346 261 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 261 L C 0.211 177.086 176.870 0.009 0.000 1.007 261 L CA -0.849 53.983 54.840 -0.013 0.000 0.818 261 L CB 1.477 43.500 42.059 -0.061 0.000 1.284 261 L HN 0.602 nan 8.230 nan 0.000 0.424 262 N N 0.723 119.421 118.700 -0.003 0.000 2.714 262 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 262 N C 0.091 175.626 175.510 0.043 0.000 1.117 262 N CA 1.045 54.099 53.050 0.007 0.000 0.719 262 N CB -1.131 37.351 38.487 -0.008 0.000 1.081 262 N HN 0.986 nan 8.380 nan 0.000 0.557 263 G N -1.294 107.542 108.800 0.060 0.000 2.606 263 G HA2 0.593 4.553 3.960 -0.000 0.000 0.262 263 G HA3 0.593 4.553 3.960 -0.000 0.000 0.262 263 G C -0.240 174.713 174.900 0.088 0.000 1.394 263 G CA -0.199 44.961 45.100 0.100 0.000 1.044 263 G HN 0.145 nan 8.290 nan 0.000 0.553 264 S N -0.760 115.007 115.700 0.111 0.000 2.554 264 S HA 0.509 4.979 4.470 -0.000 0.000 0.278 264 S C -0.081 174.549 174.600 0.050 0.000 1.242 264 S CA -0.361 57.878 58.200 0.065 0.000 1.051 264 S CB 1.110 64.336 63.200 0.044 0.000 0.986 264 S HN 0.352 nan 8.310 nan 0.000 0.502 265 L N 1.985 123.219 121.223 0.019 0.000 2.360 265 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 265 L C 0.596 177.465 176.870 -0.001 0.000 1.057 265 L CA -0.883 53.960 54.840 0.005 0.000 0.803 265 L CB 0.696 42.751 42.059 -0.007 0.000 1.207 265 L HN 0.689 nan 8.230 nan 0.000 0.445 266 A N 1.319 124.129 122.820 -0.018 0.000 2.488 266 A HA 0.114 4.434 4.320 -0.000 0.000 0.249 266 A C 1.010 178.576 177.584 -0.029 0.000 1.083 266 A CA -0.187 51.833 52.037 -0.029 0.000 0.768 266 A CB 0.083 19.047 19.000 -0.059 0.000 1.017 266 A HN 0.918 nan 8.150 nan 0.000 0.496 267 E N 1.468 121.653 120.200 -0.024 0.000 2.153 267 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 267 E C 0.913 177.493 176.600 -0.032 0.000 0.988 267 E CA 1.694 58.078 56.400 -0.027 0.000 0.811 267 E CB 0.269 29.953 29.700 -0.026 0.000 0.746 267 E HN 0.880 nan 8.360 nan 0.000 0.466 268 E N 0.142 120.319 120.200 -0.038 0.000 3.018 268 E HA 0.146 4.496 4.350 -0.000 0.000 0.293 268 E C 0.303 176.873 176.600 -0.050 0.000 0.886 268 E CA -0.272 56.103 56.400 -0.042 0.000 1.132 268 E CB 0.456 30.131 29.700 -0.042 0.000 2.610 268 E HN -0.015 nan 8.360 nan 0.000 0.572 269 E N 0.966 121.131 120.200 -0.059 0.000 2.239 269 E HA 0.336 4.686 4.350 -0.000 0.000 0.261 269 E C -0.736 175.816 176.600 -0.079 0.000 1.016 269 E CA -0.652 55.707 56.400 -0.068 0.000 0.882 269 E CB 2.070 31.728 29.700 -0.071 0.000 1.190 269 E HN -0.078 nan 8.360 nan 0.000 0.415 270 V N 1.705 121.567 119.914 -0.088 0.000 2.694 270 V HA -0.014 4.106 4.120 -0.000 0.000 0.306 270 V C -0.027 176.004 176.094 -0.103 0.000 1.054 270 V CA 0.359 62.601 62.300 -0.097 0.000 1.161 270 V CB 0.518 32.275 31.823 -0.111 0.000 0.916 270 V HN 0.307 nan 8.190 nan 0.000 0.490 271 V N 6.085 125.932 119.914 -0.111 0.000 2.604 271 V HA 0.551 4.671 4.120 -0.000 0.000 0.305 271 V C -0.168 175.861 176.094 -0.109 0.000 1.043 271 V CA -0.607 61.613 62.300 -0.133 0.000 0.888 271 V CB 1.911 33.618 31.823 -0.193 0.000 0.995 271 V HN 0.770 nan 8.190 nan 0.000 0.429 272 I N 2.458 122.987 120.570 -0.069 0.000 2.474 272 I HA 0.745 4.915 4.170 -0.000 0.000 0.294 272 I C -0.772 175.420 176.117 0.125 0.000 1.005 272 I CA -0.691 60.630 61.300 0.036 0.000 1.113 272 I CB 1.950 40.011 38.000 0.101 0.000 1.289 272 I HN 0.632 nan 8.210 nan 0.000 0.436 273 R N 3.585 124.141 120.500 0.094 0.000 2.750 273 R HA 0.750 5.090 4.340 -0.000 0.000 0.281 273 R C -0.954 175.324 176.300 -0.037 0.000 0.972 273 R CA -0.831 55.265 56.100 -0.006 0.000 0.912 273 R CB 2.268 32.328 30.300 -0.400 0.000 1.187 273 R HN 0.845 nan 8.270 nan 0.000 0.464 274 S N -0.095 115.438 115.700 -0.278 0.000 2.547 274 S HA 0.201 4.671 4.470 -0.000 0.000 0.270 274 S C 0.098 174.592 174.600 -0.178 0.000 1.150 274 S CA -0.776 57.176 58.200 -0.414 0.000 0.850 274 S CB 1.285 63.775 63.200 -1.183 0.000 1.118 274 S HN 0.748 nan 8.310 nan 0.000 0.461 275 c N 2.382 120.856 118.600 -0.210 0.000 2.539 275 c HA 0.436 5.006 4.570 -0.000 0.000 0.268 275 c C 0.768 174.768 174.090 -0.150 0.000 1.395 275 c CA 0.039 56.231 56.329 -0.228 0.000 1.757 275 c CB -1.566 40.734 42.510 -0.350 0.000 1.851 275 c HN 0.724 nan 8.230 nan 0.000 0.545 276 N N -0.963 117.630 118.700 -0.178 0.000 3.321 276 N HA 0.107 4.847 4.740 -0.000 0.000 0.217 276 N C -0.125 175.371 175.510 -0.024 0.000 1.405 276 N CA -0.481 52.529 53.050 -0.066 0.000 0.799 276 N CB -0.430 38.038 38.487 -0.032 0.000 1.619 276 N HN 0.134 nan 8.380 nan 0.000 0.648 277 F N 0.554 120.558 119.950 0.090 0.000 2.269 277 F HA -0.099 4.428 4.527 -0.000 0.000 0.301 277 F C 2.149 178.073 175.800 0.206 0.000 1.082 277 F CA 1.314 59.405 58.000 0.151 0.000 1.360 277 F CB 0.300 39.307 39.000 0.011 0.000 1.041 277 F HN 0.364 nan 8.300 nan 0.000 0.512 278 T N -1.857 112.870 114.554 0.289 0.000 2.995 278 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 278 T C 0.580 175.368 174.700 0.146 0.000 1.091 278 T CA 0.722 62.947 62.100 0.208 0.000 1.128 278 T CB -0.284 68.662 68.868 0.130 0.000 0.891 278 T HN -0.012 nan 8.240 nan 0.000 0.492 279 D N 2.308 122.776 120.400 0.113 0.000 2.339 279 D HA 0.091 4.731 4.640 -0.000 0.000 0.241 279 D C 0.896 177.232 176.300 0.061 0.000 1.183 279 D CA -0.523 53.514 54.000 0.060 0.000 0.859 279 D CB 0.521 41.334 40.800 0.023 0.000 1.067 279 D HN 0.136 nan 8.370 nan 0.000 0.484 280 N N 3.312 122.033 118.700 0.035 0.000 2.520 280 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 280 N C 1.085 176.592 175.510 -0.004 0.000 1.068 280 N CA 0.879 53.932 53.050 0.004 0.000 0.911 280 N CB -0.205 38.258 38.487 -0.040 0.000 0.961 280 N HN 0.264 nan 8.380 nan 0.000 0.446 281 A N -0.442 122.376 122.820 -0.002 0.000 2.195 281 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 281 A C 0.671 178.247 177.584 -0.014 0.000 1.165 281 A CA 0.093 52.123 52.037 -0.012 0.000 0.806 281 A CB 0.049 19.039 19.000 -0.016 0.000 0.847 281 A HN -0.011 nan 8.150 nan 0.000 0.482 282 K N 1.663 122.057 120.400 -0.011 0.000 2.205 282 K HA 0.306 4.626 4.320 -0.000 0.000 0.279 282 K C -0.278 176.316 176.600 -0.011 0.000 1.027 282 K CA -0.048 56.220 56.287 -0.032 0.000 0.932 282 K CB 0.601 33.064 32.500 -0.062 0.000 1.032 282 K HN 0.173 nan 8.250 nan 0.000 0.466 283 T N 3.139 117.680 114.554 -0.021 0.000 2.928 283 T HA 0.139 4.488 4.350 -0.000 0.000 0.305 283 T C 0.819 175.539 174.700 0.033 0.000 1.035 283 T CA 0.088 62.196 62.100 0.013 0.000 1.145 283 T CB 0.198 69.066 68.868 -0.000 0.000 0.963 283 T HN 0.295 nan 8.240 nan 0.000 0.545 284 I N 3.809 124.439 120.570 0.100 0.000 2.330 284 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 284 I C 0.084 176.284 176.117 0.138 0.000 1.001 284 I CA -0.552 60.835 61.300 0.146 0.000 1.193 284 I CB 0.926 39.108 38.000 0.303 0.000 1.345 284 I HN 0.463 nan 8.210 nan 0.000 0.461 285 I N 7.095 127.739 120.570 0.123 0.000 2.325 285 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 285 I C -0.213 175.940 176.117 0.060 0.000 1.019 285 I CA -0.553 60.807 61.300 0.099 0.000 1.302 285 I CB 1.355 39.429 38.000 0.123 0.000 1.401 285 I HN 0.210 nan 8.210 nan 0.000 0.485 286 V N 6.602 126.548 119.914 0.054 0.000 2.435 286 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 286 V C -0.113 175.976 176.094 -0.008 0.000 1.030 286 V CA -0.585 61.726 62.300 0.018 0.000 0.881 286 V CB 1.565 33.405 31.823 0.028 0.000 0.983 286 V HN 0.704 nan 8.190 nan 0.000 0.445 287 Q N 4.060 123.831 119.800 -0.049 0.000 2.341 287 Q HA 0.575 4.915 4.340 -0.000 0.000 0.268 287 Q C -1.214 174.752 176.000 -0.057 0.000 1.013 287 Q CA -0.576 55.198 55.803 -0.049 0.000 0.798 287 Q CB 1.482 30.168 28.738 -0.086 0.000 1.253 287 Q HN 0.710 nan 8.270 nan 0.000 0.457 288 L N 2.775 123.973 121.223 -0.042 0.000 2.453 288 L HA 0.233 4.573 4.340 -0.000 0.000 0.261 288 L C 1.280 178.121 176.870 -0.049 0.000 1.179 288 L CA -0.489 54.316 54.840 -0.058 0.000 0.813 288 L CB 0.360 42.389 42.059 -0.050 0.000 1.110 288 L HN 0.744 nan 8.230 nan 0.000 0.466 289 N N -1.313 117.352 118.700 -0.058 0.000 2.254 289 N HA 0.010 4.750 4.740 -0.000 0.000 0.190 289 N C -0.118 175.368 175.510 -0.040 0.000 1.107 289 N CA -0.079 52.943 53.050 -0.047 0.000 0.869 289 N CB 0.572 39.027 38.487 -0.053 0.000 0.983 289 N HN 0.514 nan 8.380 nan 0.000 0.487 290 T N 0.656 115.184 114.554 -0.043 0.000 2.928 290 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 290 T C -0.679 174.007 174.700 -0.024 0.000 1.000 290 T CA -0.735 61.344 62.100 -0.034 0.000 0.989 290 T CB 1.638 70.481 68.868 -0.041 0.000 1.005 290 T HN 0.291 nan 8.240 nan 0.000 0.442 291 S N 2.142 117.835 115.700 -0.011 0.000 2.580 291 S HA 0.628 5.097 4.470 -0.000 0.000 0.274 291 S C -0.112 174.495 174.600 0.012 0.000 1.329 291 S CA -0.642 57.559 58.200 0.001 0.000 1.036 291 S CB 0.764 63.962 63.200 -0.002 0.000 0.919 291 S HN 0.455 nan 8.310 nan 0.000 0.515 292 V N 2.513 122.448 119.914 0.035 0.000 2.444 292 V HA 0.360 4.480 4.120 -0.000 0.000 0.294 292 V C -0.391 175.711 176.094 0.012 0.000 1.022 292 V CA -0.787 61.548 62.300 0.059 0.000 0.850 292 V CB 1.308 33.240 31.823 0.181 0.000 0.992 292 V HN 0.941 nan 8.190 nan 0.000 0.426 293 E N 3.609 123.803 120.200 -0.010 0.000 2.392 293 E HA 0.419 4.768 4.350 -0.000 0.000 0.264 293 E C -0.411 176.140 176.600 -0.082 0.000 1.024 293 E CA 0.233 56.607 56.400 -0.044 0.000 0.903 293 E CB 1.361 31.041 29.700 -0.034 0.000 0.963 293 E HN 0.622 nan 8.360 nan 0.000 0.432 294 I N 2.707 123.207 120.570 -0.117 0.000 2.468 294 I HA 0.288 4.458 4.170 -0.000 0.000 0.285 294 I C -1.464 174.571 176.117 -0.137 0.000 1.039 294 I CA -0.821 60.386 61.300 -0.155 0.000 1.074 294 I CB 0.908 38.766 38.000 -0.237 0.000 1.228 294 I HN 0.347 nan 8.210 nan 0.000 0.436 295 N N 7.135 125.779 118.700 -0.093 0.000 2.444 295 N HA 0.430 5.170 4.740 -0.000 0.000 0.262 295 N C -1.342 174.128 175.510 -0.066 0.000 0.974 295 N CA -0.274 52.732 53.050 -0.074 0.000 0.933 295 N CB 1.531 39.997 38.487 -0.035 0.000 1.137 295 N HN 0.445 nan 8.380 nan 0.000 0.498 296 c N 0.463 119.001 118.600 -0.102 0.000 2.493 296 c HA 0.756 5.326 4.570 -0.000 0.000 0.326 296 c C 0.773 174.818 174.090 -0.074 0.000 1.200 296 c CA -0.706 55.573 56.329 -0.084 0.000 1.739 296 c CB 1.632 44.074 42.510 -0.113 0.000 2.300 296 c HN 0.644 nan 8.230 nan 0.000 0.500 297 T N -0.174 114.357 114.554 -0.038 0.000 2.893 297 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 297 T C 1.027 175.871 174.700 0.240 0.000 1.028 297 T CA 0.297 62.410 62.100 0.021 0.000 0.995 297 T CB 1.402 70.169 68.868 -0.167 0.000 1.051 297 T HN 0.908 nan 8.240 nan 0.000 0.470 298 G N 1.931 110.877 108.800 0.243 0.000 2.625 298 G HA2 0.354 4.314 3.960 -0.000 0.000 0.214 298 G HA3 0.354 4.314 3.960 -0.000 0.000 0.214 298 G C 0.752 175.652 174.900 -0.000 0.000 1.132 298 G CA 0.513 45.667 45.100 0.090 0.000 0.782 298 G HN 1.023 nan 8.290 nan 0.000 0.538 330 H N -2.186 116.991 119.070 0.179 0.000 3.014 330 H HA 0.664 5.220 4.556 -0.000 0.000 0.337 330 H C -1.622 173.810 175.328 0.173 0.000 1.320 330 H CA -0.818 55.326 56.048 0.160 0.000 1.128 330 H CB 1.347 31.167 29.762 0.097 0.000 1.862 330 H HN 0.053 nan 8.280 nan 0.000 0.536 331 c N 1.736 120.487 118.600 0.251 0.000 2.455 331 c HA 0.441 5.011 4.570 -0.000 0.000 0.320 331 c C -0.235 173.933 174.090 0.129 0.000 1.226 331 c CA -0.675 55.735 56.329 0.134 0.000 1.569 331 c CB 0.823 43.393 42.510 0.101 0.000 2.200 331 c HN 0.652 nan 8.230 nan 0.000 0.491 332 N N 2.165 120.914 118.700 0.082 0.000 2.399 332 N HA 0.712 5.452 4.740 -0.000 0.000 0.295 332 N C -1.012 174.470 175.510 -0.048 0.000 1.048 332 N CA -0.211 52.862 53.050 0.039 0.000 0.886 332 N CB 1.213 39.743 38.487 0.071 0.000 1.185 332 N HN 0.566 nan 8.380 nan 0.000 0.487 333 I N 0.728 121.248 120.570 -0.083 0.000 2.569 333 I HA 0.382 4.551 4.170 -0.000 0.000 0.290 333 I C -0.017 176.063 176.117 -0.062 0.000 1.088 333 I CA -1.248 59.980 61.300 -0.120 0.000 1.047 333 I CB 2.016 39.851 38.000 -0.275 0.000 1.237 333 I HN 0.396 nan 8.210 nan 0.000 0.421 334 A N 5.621 128.429 122.820 -0.019 0.000 2.492 334 A HA 0.177 4.497 4.320 -0.000 0.000 0.254 334 A C 1.341 178.955 177.584 0.050 0.000 1.091 334 A CA 0.063 52.108 52.037 0.014 0.000 0.768 334 A CB 0.172 19.186 19.000 0.022 0.000 1.028 334 A HN 0.962 nan 8.150 nan 0.000 0.498 335 R N 2.563 123.089 120.500 0.044 0.000 2.066 335 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 335 R C 2.147 178.509 176.300 0.104 0.000 1.131 335 R CA 1.633 57.780 56.100 0.078 0.000 0.955 335 R CB -0.272 30.056 30.300 0.046 0.000 0.851 335 R HN 0.829 nan 8.270 nan 0.000 0.432 336 A N 1.417 124.277 122.820 0.066 0.000 1.883 336 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 336 A C 1.997 179.615 177.584 0.057 0.000 1.186 336 A CA 1.618 53.688 52.037 0.054 0.000 0.624 336 A CB -0.389 18.631 19.000 0.033 0.000 0.822 336 A HN 0.322 nan 8.150 nan 0.000 0.444 337 K N -1.489 118.950 120.400 0.065 0.000 2.026 337 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 337 K C 2.031 178.680 176.600 0.081 0.000 1.048 337 K CA 1.484 57.806 56.287 0.059 0.000 0.929 337 K CB -0.312 32.228 32.500 0.067 0.000 0.713 337 K HN 0.807 nan 8.250 nan 0.000 0.439 338 W N 2.321 123.575 121.300 -0.076 0.000 2.358 338 W HA -0.239 4.421 4.660 -0.000 0.000 0.303 338 W C 1.763 178.228 176.519 -0.091 0.000 1.208 338 W CA 1.558 58.835 57.345 -0.114 0.000 1.274 338 W CB -0.273 29.103 29.460 -0.140 0.000 1.138 338 W HN 0.172 nan 8.180 nan 0.000 0.515 339 N N 0.925 119.647 118.700 0.036 0.000 2.069 339 N HA -0.220 4.519 4.740 -0.000 0.000 0.191 339 N C 1.346 176.820 175.510 -0.059 0.000 1.031 339 N CA 2.152 55.228 53.050 0.044 0.000 0.852 339 N CB -0.706 37.864 38.487 0.139 0.000 1.018 339 N HN -0.034 nan 8.380 nan 0.000 0.423 340 N N -0.694 117.959 118.700 -0.079 0.000 2.166 340 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 340 N C 1.463 176.813 175.510 -0.267 0.000 1.019 340 N CA 1.332 54.308 53.050 -0.124 0.000 0.856 340 N CB -0.800 37.646 38.487 -0.069 0.000 0.993 340 N HN 0.297 nan 8.380 nan 0.000 0.426 341 T N 1.824 116.168 114.554 -0.351 0.000 2.708 341 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 341 T C 2.092 176.393 174.700 -0.666 0.000 1.037 341 T CA 0.646 62.454 62.100 -0.486 0.000 1.146 341 T CB -0.242 68.269 68.868 -0.595 0.000 0.865 341 T HN 0.147 nan 8.240 nan 0.000 0.435 342 L N 0.704 121.404 121.223 -0.872 0.000 2.079 342 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 342 L C 2.767 178.982 176.870 -1.091 0.000 1.081 342 L CA 1.343 55.595 54.840 -0.981 0.000 0.752 342 L CB -0.477 41.085 42.059 -0.828 0.000 0.896 342 L HN 0.218 nan 8.230 nan 0.000 0.433 343 K N 0.103 119.834 120.400 -1.115 0.000 2.097 343 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 343 K C 2.065 178.370 176.600 -0.492 0.000 1.049 343 K CA 1.524 57.180 56.287 -1.051 0.000 0.933 343 K CB 0.049 32.245 32.500 -0.506 0.000 0.717 343 K HN 0.419 nan 8.250 nan 0.000 0.442 344 Q N 0.033 119.604 119.800 -0.382 0.000 2.172 344 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 344 Q C 2.045 177.913 176.000 -0.220 0.000 0.964 344 Q CA 0.763 56.424 55.803 -0.236 0.000 0.855 344 Q CB 0.119 28.733 28.738 -0.206 0.000 0.918 344 Q HN 0.285 nan 8.270 nan 0.000 0.444 345 I N 0.730 121.127 120.570 -0.290 0.000 2.202 345 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 345 I C 2.368 178.411 176.117 -0.123 0.000 1.091 345 I CA 1.299 62.486 61.300 -0.189 0.000 1.368 345 I CB -1.542 36.352 38.000 -0.177 0.000 1.058 345 I HN 0.110 nan 8.210 nan 0.000 0.410 346 A N 0.568 123.298 122.820 -0.150 0.000 1.908 346 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 346 A C 2.626 180.293 177.584 0.137 0.000 1.181 346 A CA 2.175 54.196 52.037 -0.027 0.000 0.627 346 A CB -0.826 18.056 19.000 -0.196 0.000 0.818 346 A HN 0.413 nan 8.150 nan 0.000 0.445 347 S N -0.228 115.530 115.700 0.098 0.000 2.359 347 S HA -0.165 4.304 4.470 -0.000 0.000 0.223 347 S C 2.088 176.642 174.600 -0.077 0.000 1.039 347 S CA 1.580 59.781 58.200 0.001 0.000 1.042 347 S CB -0.225 62.963 63.200 -0.020 0.000 0.915 347 S HN 0.495 nan 8.310 nan 0.000 0.439 348 K N 1.095 121.442 120.400 -0.089 0.000 2.097 348 K HA 0.056 4.376 4.320 -0.000 0.000 0.206 348 K C 2.033 178.566 176.600 -0.113 0.000 1.049 348 K CA 0.791 57.012 56.287 -0.111 0.000 0.933 348 K CB -0.709 31.724 32.500 -0.111 0.000 0.717 348 K HN 0.374 nan 8.250 nan 0.000 0.442 349 L N 1.013 122.185 121.223 -0.085 0.000 2.027 349 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 349 L C 2.592 179.528 176.870 0.111 0.000 1.074 349 L CA 1.368 56.198 54.840 -0.016 0.000 0.745 349 L CB -0.398 41.510 42.059 -0.252 0.000 0.898 349 L HN 0.220 nan 8.230 nan 0.000 0.433 350 R N 0.206 120.735 120.500 0.048 0.000 2.276 350 R HA -0.127 4.213 4.340 -0.000 0.000 0.203 350 R C 1.647 177.911 176.300 -0.059 0.000 1.017 350 R CA 0.940 57.068 56.100 0.046 0.000 1.010 350 R CB -0.352 29.941 30.300 -0.012 0.000 0.900 350 R HN 0.413 nan 8.270 nan 0.000 0.469 351 E N 0.751 120.882 120.200 -0.115 0.000 2.268 351 E HA -0.208 4.141 4.350 -0.000 0.000 0.195 351 E C 1.603 178.069 176.600 -0.224 0.000 0.995 351 E CA 1.023 57.328 56.400 -0.157 0.000 0.836 351 E CB 0.279 29.883 29.700 -0.160 0.000 0.763 351 E HN 0.375 nan 8.360 nan 0.000 0.491 352 Q N -1.240 118.377 119.800 -0.304 0.000 2.396 352 Q HA 0.053 4.393 4.340 -0.000 0.000 0.220 352 Q C 0.749 176.328 176.000 -0.701 0.000 0.900 352 Q CA 0.830 56.257 55.803 -0.626 0.000 0.925 352 Q CB 0.217 28.350 28.738 -1.008 0.000 1.065 352 Q HN 0.215 nan 8.270 nan 0.000 0.535 353 F N -0.851 119.037 119.950 -0.105 0.000 2.706 353 F HA 0.572 5.099 4.527 -0.000 0.000 0.308 353 F C 0.460 176.244 175.800 -0.026 0.000 1.095 353 F CA 0.290 58.270 58.000 -0.034 0.000 1.244 353 F CB 1.851 40.884 39.000 0.056 0.000 1.063 353 F HN 0.055 nan 8.300 nan 0.000 0.582 354 G N 0.736 109.584 108.800 0.079 0.000 2.873 354 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.507 354 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.507 354 G C -0.445 174.459 174.900 0.006 0.000 1.440 354 G CA -0.918 44.202 45.100 0.034 0.000 1.016 354 G HN 0.197 nan 8.290 nan 0.000 0.615 355 N N 0.360 119.035 118.700 -0.041 0.000 2.550 355 N HA -0.051 4.689 4.740 -0.000 0.000 0.186 355 N C 1.377 176.848 175.510 -0.064 0.000 1.110 355 N CA 0.636 53.635 53.050 -0.084 0.000 0.912 355 N CB 0.096 38.523 38.487 -0.100 0.000 0.968 355 N HN 0.373 nan 8.380 nan 0.000 0.448 356 N N 0.293 118.982 118.700 -0.019 0.000 2.268 356 N HA 0.087 4.827 4.740 -0.000 0.000 0.204 356 N C -0.758 174.772 175.510 0.034 0.000 1.124 356 N CA 0.302 53.354 53.050 0.003 0.000 0.838 356 N CB 0.499 38.989 38.487 0.005 0.000 0.994 356 N HN 0.143 nan 8.380 nan 0.000 0.489 357 K N 0.289 120.719 120.400 0.050 0.000 2.159 357 K HA 0.337 4.657 4.320 -0.000 0.000 0.266 357 K C -0.333 176.357 176.600 0.150 0.000 0.975 357 K CA -0.398 55.942 56.287 0.089 0.000 0.865 357 K CB 1.446 34.008 32.500 0.103 0.000 1.087 357 K HN -0.083 nan 8.250 nan 0.000 0.446 358 T N 3.413 118.056 114.554 0.148 0.000 2.851 358 T HA 0.223 4.573 4.350 -0.000 0.000 0.298 358 T C 0.298 175.116 174.700 0.196 0.000 0.977 358 T CA -0.345 61.874 62.100 0.198 0.000 1.126 358 T CB 0.304 69.248 68.868 0.125 0.000 0.916 358 T HN 0.232 nan 8.240 nan 0.000 0.529 359 I N 4.538 125.270 120.570 0.270 0.000 2.321 359 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 359 I C -0.079 176.104 176.117 0.110 0.000 0.998 359 I CA -0.720 60.692 61.300 0.187 0.000 1.227 359 I CB 0.893 38.981 38.000 0.148 0.000 1.368 359 I HN 0.537 nan 8.210 nan 0.000 0.466 360 I N 6.774 127.358 120.570 0.025 0.000 2.433 360 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 360 I C -0.538 175.549 176.117 -0.050 0.000 1.001 360 I CA -0.247 61.076 61.300 0.037 0.000 1.119 360 I CB 1.493 39.523 38.000 0.050 0.000 1.289 360 I HN 0.202 nan 8.210 nan 0.000 0.438 361 F N 5.413 125.570 119.950 0.345 0.000 2.420 361 F HA 0.591 5.118 4.527 -0.000 0.000 0.342 361 F C 0.362 176.344 175.800 0.302 0.000 1.113 361 F CA -0.523 57.704 58.000 0.378 0.000 1.059 361 F CB 1.097 40.387 39.000 0.482 0.000 1.128 361 F HN 0.231 nan 8.300 nan 0.000 0.475 362 K N 1.982 122.629 120.400 0.411 0.000 2.443 362 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 362 K C -0.802 175.956 176.600 0.263 0.000 0.972 362 K CA -1.222 55.235 56.287 0.283 0.000 0.833 362 K CB 2.441 35.033 32.500 0.152 0.000 1.317 362 K HN 0.699 nan 8.250 nan 0.000 0.441 363 Q N 0.449 120.386 119.800 0.229 0.000 2.540 363 Q HA 0.064 4.404 4.340 -0.000 0.000 0.256 363 Q C -0.024 176.029 176.000 0.089 0.000 1.084 363 Q CA -0.154 55.760 55.803 0.185 0.000 0.956 363 Q CB 0.591 29.431 28.738 0.169 0.000 1.303 363 Q HN 0.437 nan 8.270 nan 0.000 0.509 364 S N 0.408 116.142 115.700 0.056 0.000 2.558 364 S HA -0.040 4.429 4.470 -0.000 0.000 0.291 364 S C 0.912 175.535 174.600 0.037 0.000 1.306 364 S CA 0.056 58.272 58.200 0.028 0.000 1.056 364 S CB 0.332 63.555 63.200 0.038 0.000 0.836 364 S HN 0.716 nan 8.310 nan 0.000 0.504 365 S N 3.556 119.267 115.700 0.020 0.000 2.496 365 S HA 0.453 4.922 4.470 -0.000 0.000 0.224 365 S C 1.076 175.687 174.600 0.017 0.000 0.996 365 S CA 0.179 58.389 58.200 0.017 0.000 0.927 365 S CB -0.566 62.635 63.200 0.002 0.000 0.774 365 S HN 1.582 nan 8.310 nan 0.000 0.524 366 G N -1.298 107.513 108.800 0.018 0.000 2.369 366 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 366 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 366 G C -0.234 174.672 174.900 0.010 0.000 1.301 366 G CA -0.266 44.844 45.100 0.017 0.000 0.913 366 G HN 1.476 nan 8.290 nan 0.000 0.540 367 G N -0.837 107.966 108.800 0.006 0.000 2.297 367 G HA2 0.392 4.352 3.960 -0.000 0.000 0.209 367 G HA3 0.392 4.352 3.960 -0.000 0.000 0.209 367 G C -1.180 173.716 174.900 -0.006 0.000 1.267 367 G CA 0.267 45.364 45.100 -0.004 0.000 1.127 367 G HN 1.137 nan 8.290 nan 0.000 0.498 368 D N 1.762 122.149 120.400 -0.021 0.000 2.399 368 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 368 D C -1.077 175.214 176.300 -0.015 0.000 1.133 368 D CA -1.018 52.962 54.000 -0.035 0.000 0.890 368 D CB 1.183 41.939 40.800 -0.073 0.000 1.201 368 D HN 0.030 nan 8.370 nan 0.000 0.432 369 P HA -0.151 nan 4.420 nan 0.000 0.216 369 P C 0.761 178.136 177.300 0.126 0.000 1.150 369 P CA 1.215 64.383 63.100 0.113 0.000 0.843 369 P CB 0.298 32.070 31.700 0.121 0.000 0.787 370 E N -1.657 118.476 120.200 -0.111 0.000 2.333 370 E HA -0.123 4.226 4.350 -0.000 0.000 0.198 370 E C 1.518 178.003 176.600 -0.191 0.000 1.007 370 E CA 0.817 56.867 56.400 -0.584 0.000 0.845 370 E CB -0.563 28.395 29.700 -1.236 0.000 0.766 370 E HN 0.258 nan 8.360 nan 0.000 0.507 371 I N -1.659 118.874 120.570 -0.062 0.000 4.032 371 I HA -0.042 4.128 4.170 -0.000 0.000 0.313 371 I C 1.516 177.671 176.117 0.063 0.000 1.272 371 I CA 0.274 61.580 61.300 0.010 0.000 1.307 371 I CB 0.605 38.592 38.000 -0.023 0.000 1.155 371 I HN -0.092 nan 8.210 nan 0.000 0.431 372 V N 0.221 120.180 119.914 0.074 0.000 2.649 372 V HA -0.025 4.095 4.120 -0.000 0.000 0.248 372 V C 1.164 177.351 176.094 0.154 0.000 1.054 372 V CA 1.498 63.856 62.300 0.096 0.000 1.073 372 V CB -0.976 30.898 31.823 0.085 0.000 0.699 372 V HN 0.535 nan 8.190 nan 0.000 0.463 373 T N -2.397 112.280 114.554 0.205 0.000 2.952 373 T HA 0.414 4.764 4.350 -0.000 0.000 0.286 373 T C -0.274 174.628 174.700 0.336 0.000 1.024 373 T CA -0.534 61.733 62.100 0.278 0.000 1.029 373 T CB 1.399 70.465 68.868 0.331 0.000 1.094 373 T HN 0.322 nan 8.240 nan 0.000 0.515 374 H N 0.632 119.871 119.070 0.282 0.000 3.017 374 H HA 0.339 4.895 4.556 -0.000 0.000 0.276 374 H C -1.149 174.446 175.328 0.446 0.000 1.062 374 H CA -0.966 55.268 56.048 0.309 0.000 1.486 374 H CB -0.243 29.662 29.762 0.239 0.000 1.507 374 H HN 0.702 nan 8.280 nan 0.000 0.508 375 W N 8.400 129.664 121.300 -0.060 0.000 2.632 375 W HA 0.491 5.151 4.660 -0.000 0.000 0.328 375 W C -1.981 174.512 176.519 -0.043 0.000 1.044 375 W CA -1.040 56.188 57.345 -0.196 0.000 1.225 375 W CB 0.651 29.932 29.460 -0.299 0.000 1.396 375 W HN 0.526 nan 8.180 nan 0.000 0.499 376 F N 3.416 122.801 119.950 -0.943 0.000 2.807 376 F HA 0.432 4.959 4.527 -0.000 0.000 0.316 376 F C -1.440 173.994 175.800 -0.610 0.000 1.162 376 F CA -1.585 55.934 58.000 -0.802 0.000 0.910 376 F CB 0.809 39.494 39.000 -0.525 0.000 1.314 376 F HN 0.442 nan 8.300 nan 0.000 0.454 377 N N 1.148 119.632 118.700 -0.360 0.000 2.321 377 N HA 0.562 5.302 4.740 -0.000 0.000 0.299 377 N C -1.965 173.456 175.510 -0.149 0.000 1.048 377 N CA -0.270 52.541 53.050 -0.400 0.000 0.836 377 N CB 1.993 40.117 38.487 -0.605 0.000 1.269 377 N HN 1.066 nan 8.380 nan 0.000 0.486 378 c N 2.337 120.866 118.600 -0.118 0.000 2.516 378 c HA 0.693 5.263 4.570 -0.000 0.000 0.338 378 c C 1.112 175.223 174.090 0.036 0.000 1.132 378 c CA 0.673 56.966 56.329 -0.060 0.000 1.310 378 c CB -0.463 41.868 42.510 -0.299 0.000 1.898 378 c HN 1.056 nan 8.230 nan 0.000 0.452 379 G N 3.844 112.639 108.800 -0.008 0.000 2.249 379 G HA2 0.170 4.130 3.960 -0.000 0.000 0.273 379 G HA3 0.170 4.130 3.960 -0.000 0.000 0.273 379 G C 1.385 176.268 174.900 -0.028 0.000 1.036 379 G CA 1.413 46.516 45.100 0.005 0.000 0.824 379 G HN 2.855 nan 8.290 nan 0.000 0.504 380 G N -1.924 106.824 108.800 -0.086 0.000 2.225 380 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 380 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 380 G C 0.146 174.798 174.900 -0.412 0.000 0.988 380 G CA 0.904 45.867 45.100 -0.228 0.000 0.625 380 G HN 0.968 nan 8.290 nan 0.000 0.527 381 E N -0.346 119.684 120.200 -0.283 0.000 2.222 381 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 381 E C -0.629 175.753 176.600 -0.364 0.000 0.982 381 E CA -0.791 55.443 56.400 -0.276 0.000 0.842 381 E CB 0.854 30.471 29.700 -0.139 0.000 1.144 381 E HN 0.160 nan 8.360 nan 0.000 0.397 382 F N 1.571 121.473 119.950 -0.081 0.000 2.391 382 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 382 F C 0.126 175.888 175.800 -0.063 0.000 1.122 382 F CA -0.547 57.419 58.000 -0.058 0.000 1.120 382 F CB 0.371 39.499 39.000 0.212 0.000 1.142 382 F HN 0.245 nan 8.300 nan 0.000 0.483 383 F N 2.729 122.396 119.950 -0.472 0.000 2.399 383 F HA 0.403 4.930 4.527 -0.000 0.000 0.334 383 F C -0.624 174.988 175.800 -0.314 0.000 1.097 383 F CA -1.011 56.697 58.000 -0.486 0.000 1.076 383 F CB 0.832 39.086 39.000 -1.243 0.000 1.162 383 F HN 0.255 nan 8.300 nan 0.000 0.495 384 Y N 1.831 122.205 120.300 0.122 0.000 2.426 384 Y HA 0.415 4.965 4.550 -0.000 0.000 0.325 384 Y C -0.564 175.474 175.900 0.231 0.000 0.989 384 Y CA -1.073 57.167 58.100 0.234 0.000 1.284 384 Y CB 1.345 39.928 38.460 0.206 0.000 1.104 384 Y HN 0.435 nan 8.280 nan 0.000 0.481 385 c N 3.294 122.129 118.600 0.392 0.000 2.298 385 c HA 0.298 4.868 4.570 -0.000 0.000 0.323 385 c C 0.444 174.728 174.090 0.324 0.000 1.284 385 c CA -1.247 55.308 56.329 0.376 0.000 1.577 385 c CB 0.234 43.027 42.510 0.471 0.000 2.249 385 c HN 0.739 nan 8.230 nan 0.000 0.497 386 N N 1.867 120.718 118.700 0.252 0.000 2.427 386 N HA -0.029 4.711 4.740 -0.000 0.000 0.269 386 N C 0.987 176.615 175.510 0.197 0.000 1.235 386 N CA 0.261 53.436 53.050 0.209 0.000 0.934 386 N CB 0.831 39.415 38.487 0.160 0.000 1.121 386 N HN 0.834 nan 8.380 nan 0.000 0.480 387 S N 1.233 117.074 115.700 0.235 0.000 2.597 387 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 387 S C 1.416 176.177 174.600 0.268 0.000 0.955 387 S CA -0.244 58.102 58.200 0.243 0.000 0.933 387 S CB -0.064 63.367 63.200 0.385 0.000 0.788 387 S HN 0.467 nan 8.310 nan 0.000 0.488 388 T N 3.152 117.836 114.554 0.216 0.000 2.685 388 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 388 T C 1.738 176.532 174.700 0.157 0.000 1.034 388 T CA 2.015 64.239 62.100 0.207 0.000 1.149 388 T CB -0.427 68.528 68.868 0.146 0.000 0.860 388 T HN 0.573 nan 8.240 nan 0.000 0.449 389 Q N 0.040 119.885 119.800 0.074 0.000 2.291 389 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 389 Q C 2.185 178.149 176.000 -0.060 0.000 0.976 389 Q CA 0.798 56.609 55.803 0.013 0.000 0.875 389 Q CB -0.259 28.468 28.738 -0.019 0.000 0.927 389 Q HN 0.507 nan 8.270 nan 0.000 0.450 390 L N -1.093 120.016 121.223 -0.189 0.000 2.341 390 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 390 L C 0.103 176.680 176.870 -0.489 0.000 1.115 390 L CA 0.387 54.917 54.840 -0.517 0.000 0.820 390 L CB 0.314 41.745 42.059 -1.048 0.000 0.944 390 L HN 0.121 nan 8.230 nan 0.000 0.452 391 F N -0.123 119.958 119.950 0.218 0.000 2.550 391 F HA 0.326 4.853 4.527 -0.000 0.000 0.348 391 F C 0.120 176.076 175.800 0.260 0.000 1.219 391 F CA -0.571 57.595 58.000 0.277 0.000 1.203 391 F CB 0.463 39.629 39.000 0.277 0.000 1.436 391 F HN -0.136 nan 8.300 nan 0.000 0.541 392 N N 1.877 120.783 118.700 0.344 0.000 2.679 392 N HA 0.145 4.885 4.740 -0.000 0.000 0.240 392 N C -1.449 174.174 175.510 0.187 0.000 1.537 392 N CA -0.082 53.113 53.050 0.242 0.000 0.793 392 N CB 0.660 39.243 38.487 0.160 0.000 1.391 392 N HN 0.300 nan 8.380 nan 0.000 0.524 393 S N -1.103 114.756 115.700 0.265 0.000 2.550 393 S HA 0.694 5.164 4.470 -0.000 0.000 0.270 393 S C -0.876 173.779 174.600 0.092 0.000 1.145 393 S CA -0.609 57.653 58.200 0.104 0.000 0.852 393 S CB 1.864 65.122 63.200 0.097 0.000 1.119 393 S HN -0.004 nan 8.310 nan 0.000 0.465 394 T N 1.886 116.308 114.554 -0.220 0.000 2.829 394 T HA 0.636 4.986 4.350 -0.000 0.000 0.280 394 T C -1.521 172.896 174.700 -0.471 0.000 0.999 394 T CA -0.288 61.714 62.100 -0.163 0.000 0.983 394 T CB 0.499 69.310 68.868 -0.095 0.000 0.968 394 T HN 0.646 nan 8.240 nan 0.000 0.446 395 W N 1.509 122.737 121.300 -0.119 0.000 2.819 395 W HA 0.578 5.238 4.660 -0.000 0.000 0.337 395 W C -0.364 175.964 176.519 -0.318 0.000 1.077 395 W CA -1.306 55.793 57.345 -0.410 0.000 1.226 395 W CB 0.468 29.545 29.460 -0.639 0.000 1.419 395 W HN 0.791 nan 8.180 nan 0.000 0.502 396 F N 0.614 120.712 119.950 0.246 0.000 3.074 396 F HA -0.397 4.130 4.527 -0.000 0.000 0.289 396 F C 1.053 176.903 175.800 0.083 0.000 0.863 396 F CA 0.936 59.023 58.000 0.144 0.000 1.121 396 F CB -1.540 37.543 39.000 0.138 0.000 1.169 396 F HN 0.619 nan 8.300 nan 0.000 0.570 397 N N -0.759 118.019 118.700 0.129 0.000 2.308 397 N HA -0.007 4.733 4.740 -0.000 0.000 0.224 397 N C 1.760 177.304 175.510 0.057 0.000 1.024 397 N CA 0.696 53.792 53.050 0.078 0.000 1.118 397 N CB 0.220 38.717 38.487 0.017 0.000 1.399 397 N HN 0.201 nan 8.380 nan 0.000 0.594 398 S N -1.047 114.663 115.700 0.017 0.000 2.288 398 S HA 0.189 4.659 4.470 -0.000 0.000 0.191 398 S C 0.399 175.012 174.600 0.021 0.000 1.028 398 S CA 0.630 58.837 58.200 0.013 0.000 1.030 398 S CB -0.236 62.958 63.200 -0.009 0.000 0.932 398 S HN 0.496 nan 8.310 nan 0.000 0.463 411 S N 0.578 116.278 115.700 -0.000 0.000 2.541 411 S HA 0.430 4.900 4.470 -0.000 0.000 0.283 411 S C 1.026 175.626 174.600 0.001 0.000 1.196 411 S CA 0.609 58.808 58.200 -0.002 0.000 1.062 411 S CB 1.540 64.736 63.200 -0.006 0.000 1.009 411 S HN 0.465 nan 8.310 nan 0.000 0.502 412 D N 2.618 123.018 120.400 0.000 0.000 2.126 412 D HA -0.129 4.511 4.640 -0.000 0.000 0.190 412 D C 0.909 177.211 176.300 0.003 0.000 1.001 412 D CA 2.186 56.188 54.000 0.003 0.000 0.841 412 D CB -0.099 40.701 40.800 0.001 0.000 0.949 412 D HN 0.627 nan 8.370 nan 0.000 0.446 413 T N -1.998 112.554 114.554 -0.004 0.000 2.912 413 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 413 T C 0.015 174.702 174.700 -0.022 0.000 1.030 413 T CA -1.106 60.988 62.100 -0.010 0.000 1.020 413 T CB 1.338 70.200 68.868 -0.010 0.000 1.056 413 T HN 0.022 nan 8.240 nan 0.000 0.480 414 I N 3.099 123.645 120.570 -0.041 0.000 2.304 414 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 414 I C 0.150 176.236 176.117 -0.053 0.000 1.018 414 I CA -0.421 60.841 61.300 -0.064 0.000 1.260 414 I CB 0.868 38.787 38.000 -0.135 0.000 1.390 414 I HN 0.761 nan 8.210 nan 0.000 0.475 415 T N 7.410 121.945 114.554 -0.032 0.000 2.821 415 T HA 0.404 4.754 4.350 -0.000 0.000 0.307 415 T C -0.061 174.653 174.700 0.023 0.000 1.034 415 T CA -0.489 61.609 62.100 -0.004 0.000 0.953 415 T CB 0.697 69.532 68.868 -0.055 0.000 0.968 415 T HN 0.109 nan 8.240 nan 0.000 0.462 416 L N 6.948 128.206 121.223 0.059 0.000 2.290 416 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 416 L C -1.897 175.071 176.870 0.164 0.000 1.078 416 L CA -2.675 52.221 54.840 0.093 0.000 0.815 416 L CB 0.202 42.318 42.059 0.094 0.000 1.162 416 L HN 0.335 nan 8.230 nan 0.000 0.435 417 P HA 0.224 nan 4.420 nan 0.000 0.276 417 P C -0.917 176.503 177.300 0.200 0.000 1.235 417 P CA -0.304 62.895 63.100 0.166 0.000 0.772 417 P CB 1.056 32.825 31.700 0.116 0.000 0.871 418 c N 3.228 121.961 118.600 0.220 0.000 2.913 418 c HA 0.743 5.313 4.570 -0.000 0.000 0.322 418 c C 0.135 174.316 174.090 0.152 0.000 1.292 418 c CA -0.546 55.926 56.329 0.239 0.000 1.649 418 c CB 2.083 44.804 42.510 0.351 0.000 2.139 418 c HN 0.624 nan 8.230 nan 0.000 0.475 419 R N 0.576 121.156 120.500 0.133 0.000 2.522 419 R HA 0.667 5.007 4.340 -0.000 0.000 0.283 419 R C -1.897 174.388 176.300 -0.025 0.000 1.074 419 R CA -0.438 55.684 56.100 0.037 0.000 0.925 419 R CB 0.782 31.112 30.300 0.049 0.000 1.205 419 R HN 0.661 nan 8.270 nan 0.000 0.436 420 I N 3.958 124.416 120.570 -0.187 0.000 2.395 420 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 420 I C -0.017 176.066 176.117 -0.057 0.000 1.023 420 I CA 0.265 61.428 61.300 -0.228 0.000 1.350 420 I CB 1.263 39.029 38.000 -0.390 0.000 1.409 420 I HN 0.428 nan 8.210 nan 0.000 0.507 421 K N 4.881 125.325 120.400 0.073 0.000 2.340 421 K HA 0.480 4.800 4.320 -0.000 0.000 0.244 421 K C -0.114 176.571 176.600 0.141 0.000 0.973 421 K CA -0.751 55.546 56.287 0.016 0.000 0.828 421 K CB 1.882 34.236 32.500 -0.243 0.000 1.226 421 K HN 0.317 nan 8.250 nan 0.000 0.437 422 Q N 0.187 120.043 119.800 0.094 0.000 2.402 422 Q HA 0.292 4.632 4.340 -0.000 0.000 0.231 422 Q C -0.134 175.967 176.000 0.168 0.000 0.888 422 Q CA 0.495 56.398 55.803 0.167 0.000 0.938 422 Q CB 0.678 29.479 28.738 0.105 0.000 1.086 422 Q HN 0.447 nan 8.270 nan 0.000 0.543 423 I N 1.995 122.607 120.570 0.071 0.000 2.328 423 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 423 I C -0.870 175.264 176.117 0.028 0.000 1.012 423 I CA -0.623 60.700 61.300 0.039 0.000 1.195 423 I CB 0.969 38.963 38.000 -0.010 0.000 1.350 423 I HN -0.016 nan 8.210 nan 0.000 0.464 424 I N 5.220 125.822 120.570 0.053 0.000 2.530 424 I HA 0.339 4.509 4.170 -0.000 0.000 0.297 424 I C -0.034 176.080 176.117 -0.006 0.000 1.011 424 I CA -0.846 60.478 61.300 0.040 0.000 1.107 424 I CB 1.518 39.485 38.000 -0.056 0.000 1.285 424 I HN 0.465 nan 8.210 nan 0.000 0.436 425 N N 5.789 124.459 118.700 -0.050 0.000 2.497 425 N HA 0.323 5.062 4.740 -0.000 0.000 0.271 425 N C -0.159 175.315 175.510 -0.059 0.000 1.142 425 N CA -0.245 52.760 53.050 -0.075 0.000 0.965 425 N CB 1.192 39.611 38.487 -0.114 0.000 1.077 425 N HN 0.496 nan 8.380 nan 0.000 0.462 426 M N 1.966 121.546 119.600 -0.034 0.000 2.239 426 M HA 0.037 4.517 4.480 -0.000 0.000 0.348 426 M C 1.427 177.723 176.300 -0.006 0.000 1.239 426 M CA 0.012 55.291 55.300 -0.035 0.000 1.114 426 M CB 0.812 33.353 32.600 -0.100 0.000 1.641 426 M HN 0.687 nan 8.290 nan 0.000 0.453 427 W N 1.479 122.788 121.300 0.015 0.000 2.942 427 W HA 0.078 4.738 4.660 0.000 0.000 0.263 427 W C 0.591 177.133 176.519 0.039 0.000 1.296 427 W CA 0.110 57.465 57.345 0.017 0.000 1.504 427 W CB -0.473 29.047 29.460 0.100 0.000 1.096 427 W HN 0.611 nan 8.180 nan 0.000 0.639 428 Q N 2.102 121.456 119.800 -0.744 0.000 2.311 428 Q HA -0.005 4.334 4.340 -0.000 0.000 0.203 428 Q C 0.510 176.371 176.000 -0.232 0.000 0.954 428 Q CA 1.533 56.895 55.803 -0.736 0.000 0.885 428 Q CB -0.003 28.190 28.738 -0.907 0.000 0.963 428 Q HN 0.444 nan 8.270 nan 0.000 0.471 429 K N -3.246 117.062 120.400 -0.153 0.000 3.073 429 K HA 0.268 4.588 4.320 -0.000 0.000 0.300 429 K C -1.295 175.269 176.600 -0.059 0.000 1.082 429 K CA -0.815 55.432 56.287 -0.067 0.000 0.803 429 K CB 0.476 32.933 32.500 -0.071 0.000 1.488 429 K HN -0.246 nan 8.250 nan 0.000 0.372 430 V N 0.934 120.825 119.914 -0.039 0.000 2.479 430 V HA 0.528 4.648 4.120 -0.000 0.000 0.281 430 V C 0.703 176.771 176.094 -0.045 0.000 1.031 430 V CA 1.656 63.934 62.300 -0.037 0.000 1.038 430 V CB -0.061 31.746 31.823 -0.027 0.000 0.981 430 V HN 0.953 nan 8.190 nan 0.000 0.478 431 G N 5.293 114.065 108.800 -0.047 0.000 2.324 431 G HA2 0.358 4.318 3.960 -0.000 0.000 0.293 431 G HA3 0.358 4.318 3.960 -0.000 0.000 0.293 431 G C -1.592 173.282 174.900 -0.045 0.000 1.297 431 G CA -0.868 44.204 45.100 -0.046 0.000 0.853 431 G HN 0.502 nan 8.290 nan 0.000 0.535 432 K N -0.484 119.891 120.400 -0.042 0.000 2.435 432 K HA 0.751 5.070 4.320 -0.000 0.000 0.251 432 K C -0.720 175.854 176.600 -0.042 0.000 0.954 432 K CA -0.718 55.547 56.287 -0.037 0.000 0.820 432 K CB 2.322 34.800 32.500 -0.036 0.000 1.292 432 K HN 0.483 nan 8.250 nan 0.000 0.436 433 M N 2.356 121.938 119.600 -0.031 0.000 2.518 433 M HA 0.481 4.961 4.480 -0.000 0.000 0.300 433 M C -1.052 175.204 176.300 -0.073 0.000 1.175 433 M CA -0.720 54.533 55.300 -0.078 0.000 0.890 433 M CB 2.531 35.103 32.600 -0.048 0.000 1.710 433 M HN 0.482 nan 8.290 nan 0.000 0.453 434 M N 2.009 121.508 119.600 -0.169 0.000 2.321 434 M HA 0.536 5.016 4.480 -0.000 0.000 0.315 434 M C -2.034 174.137 176.300 -0.215 0.000 1.052 434 M CA -0.418 54.829 55.300 -0.089 0.000 0.936 434 M CB 1.664 34.232 32.600 -0.053 0.000 1.639 434 M HN 0.666 nan 8.290 nan 0.000 0.433 435 Y N 1.453 121.800 120.300 0.079 0.000 2.602 435 Y HA 0.760 5.310 4.550 -0.000 0.000 0.330 435 Y C 0.367 176.305 175.900 0.063 0.000 1.114 435 Y CA -0.736 57.421 58.100 0.095 0.000 1.182 435 Y CB 1.627 40.193 38.460 0.178 0.000 1.305 435 Y HN 0.726 nan 8.280 nan 0.000 0.502 436 A N 1.797 124.754 122.820 0.228 0.000 2.322 436 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 436 A C -2.548 175.102 177.584 0.111 0.000 1.094 436 A CA -1.586 50.526 52.037 0.124 0.000 0.807 436 A CB -0.382 18.671 19.000 0.088 0.000 1.047 436 A HN 0.456 nan 8.150 nan 0.000 0.487 437 P HA 0.202 nan 4.420 nan 0.000 0.269 437 P C -2.438 174.877 177.300 0.026 0.000 1.217 437 P CA -0.568 62.555 63.100 0.038 0.000 0.783 437 P CB -0.392 31.321 31.700 0.022 0.000 0.898 438 P HA 0.048 nan 4.420 nan 0.000 0.269 438 P C 0.371 177.670 177.300 -0.001 0.000 1.215 438 P CA 0.182 63.277 63.100 -0.009 0.000 0.780 438 P CB 0.110 31.789 31.700 -0.034 0.000 0.898 439 I N -1.750 118.820 120.570 0.001 0.000 4.154 439 I HA 0.240 4.410 4.170 -0.000 0.000 0.334 439 I C -0.111 176.008 176.117 0.003 0.000 1.371 439 I CA 0.167 61.469 61.300 0.004 0.000 1.110 439 I CB -0.513 37.492 38.000 0.008 0.000 1.085 439 I HN 0.113 nan 8.210 nan 0.000 0.398 440 S N 0.923 116.624 115.700 0.002 0.000 2.472 440 S HA 0.714 5.184 4.470 -0.000 0.000 0.303 440 S C 1.035 175.638 174.600 0.006 0.000 1.099 440 S CA 0.001 58.205 58.200 0.005 0.000 1.077 440 S CB 1.497 64.702 63.200 0.009 0.000 1.031 440 S HN 0.434 nan 8.310 nan 0.000 0.487 441 G N 2.227 111.032 108.800 0.009 0.000 2.985 441 G HA2 0.152 4.112 3.960 -0.000 0.000 0.209 441 G HA3 0.152 4.112 3.960 -0.000 0.000 0.209 441 G C 0.366 175.276 174.900 0.016 0.000 1.165 441 G CA -0.014 45.093 45.100 0.011 0.000 0.776 441 G HN 0.677 nan 8.290 nan 0.000 0.541 442 Q N 0.568 120.379 119.800 0.019 0.000 2.928 442 Q HA 0.326 4.666 4.340 -0.000 0.000 0.353 442 Q C -0.697 175.322 176.000 0.032 0.000 0.870 442 Q CA -0.308 55.509 55.803 0.023 0.000 0.963 442 Q CB 0.925 29.673 28.738 0.016 0.000 1.419 442 Q HN 0.329 nan 8.270 nan 0.000 0.396 443 I N 2.013 122.615 120.570 0.052 0.000 2.396 443 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 443 I C 0.053 176.228 176.117 0.097 0.000 1.056 443 I CA 0.056 61.410 61.300 0.091 0.000 1.365 443 I CB 0.289 38.383 38.000 0.155 0.000 1.407 443 I HN 0.061 nan 8.210 nan 0.000 0.509 444 R N 5.849 126.379 120.500 0.050 0.000 2.584 444 R HA 0.619 4.959 4.340 -0.000 0.000 0.276 444 R C -1.497 174.783 176.300 -0.033 0.000 1.046 444 R CA -0.607 55.497 56.100 0.006 0.000 0.906 444 R CB 2.169 32.467 30.300 -0.003 0.000 1.215 444 R HN 0.867 nan 8.270 nan 0.000 0.449 445 c N -0.916 117.636 118.600 -0.080 0.000 2.871 445 c HA 0.644 5.214 4.570 -0.000 0.000 0.378 445 c C -0.417 173.602 174.090 -0.119 0.000 1.052 445 c CA -0.849 55.422 56.329 -0.097 0.000 1.250 445 c CB 1.587 44.032 42.510 -0.107 0.000 1.689 445 c HN 0.719 nan 8.230 nan 0.000 0.506 446 S N 2.837 118.480 115.700 -0.095 0.000 2.442 446 S HA 0.788 5.258 4.470 -0.000 0.000 0.297 446 S C 0.112 174.650 174.600 -0.104 0.000 1.131 446 S CA -0.282 57.860 58.200 -0.097 0.000 1.092 446 S CB 1.388 64.549 63.200 -0.065 0.000 0.998 446 S HN 0.916 nan 8.310 nan 0.000 0.478 447 S N 2.518 118.140 115.700 -0.130 0.000 2.689 447 S HA 0.513 4.983 4.470 -0.000 0.000 0.306 447 S C -0.612 173.930 174.600 -0.097 0.000 1.104 447 S CA -1.036 57.092 58.200 -0.121 0.000 0.973 447 S CB 0.860 63.959 63.200 -0.169 0.000 1.121 447 S HN 0.626 nan 8.310 nan 0.000 0.523 448 N N 1.492 120.150 118.700 -0.070 0.000 2.424 448 N HA 0.422 5.162 4.740 -0.000 0.000 0.271 448 N C -0.877 174.607 175.510 -0.043 0.000 0.985 448 N CA -0.310 52.711 53.050 -0.048 0.000 0.921 448 N CB 0.876 39.347 38.487 -0.026 0.000 1.149 448 N HN 0.488 nan 8.380 nan 0.000 0.492 449 I N 1.598 122.145 120.570 -0.038 0.000 2.505 449 I HA -0.007 4.163 4.170 -0.000 0.000 0.287 449 I C 1.535 177.667 176.117 0.025 0.000 1.104 449 I CA 0.297 61.593 61.300 -0.008 0.000 1.387 449 I CB 0.417 38.435 38.000 0.030 0.000 1.404 449 I HN 0.573 nan 8.210 nan 0.000 0.528 450 T N 0.896 115.466 114.554 0.026 0.000 2.975 450 T HA 0.417 4.767 4.350 -0.000 0.000 0.257 450 T C 0.523 175.242 174.700 0.032 0.000 1.003 450 T CA -0.020 62.096 62.100 0.027 0.000 0.932 450 T CB 0.625 69.512 68.868 0.031 0.000 1.087 450 T HN 0.706 nan 8.240 nan 0.000 0.512 451 G N 0.535 109.364 108.800 0.047 0.000 2.608 451 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 451 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 451 G C -2.390 172.560 174.900 0.082 0.000 1.425 451 G CA -0.885 44.246 45.100 0.052 0.000 0.787 451 G HN 0.227 nan 8.290 nan 0.000 0.484 452 L N -0.898 120.379 121.223 0.090 0.000 2.350 452 L HA 0.697 5.037 4.340 -0.000 0.000 0.260 452 L C -0.586 176.349 176.870 0.109 0.000 1.015 452 L CA -0.557 54.363 54.840 0.133 0.000 0.821 452 L CB 2.310 44.482 42.059 0.188 0.000 1.370 452 L HN 0.434 nan 8.230 nan 0.000 0.416 453 L N 3.056 124.344 121.223 0.109 0.000 2.325 453 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 453 L C -1.011 175.908 176.870 0.081 0.000 1.004 453 L CA -0.299 54.592 54.840 0.086 0.000 0.823 453 L CB 1.407 43.503 42.059 0.062 0.000 1.236 453 L HN 0.382 nan 8.230 nan 0.000 0.415 454 L N 1.986 123.273 121.223 0.106 0.000 2.327 454 L HA 0.776 5.116 4.340 -0.000 0.000 0.258 454 L C -0.235 176.714 176.870 0.132 0.000 1.024 454 L CA -0.664 54.249 54.840 0.122 0.000 0.825 454 L CB 2.682 44.875 42.059 0.222 0.000 1.386 454 L HN 0.562 nan 8.230 nan 0.000 0.417 455 T N -1.864 112.758 114.554 0.113 0.000 2.876 455 T HA 0.543 4.893 4.350 -0.000 0.000 0.289 455 T C -0.691 174.035 174.700 0.044 0.000 1.014 455 T CA -0.892 61.257 62.100 0.082 0.000 0.986 455 T CB 2.299 71.178 68.868 0.019 0.000 1.021 455 T HN 0.617 nan 8.240 nan 0.000 0.458 456 R N 1.216 121.692 120.500 -0.040 0.000 2.368 456 R HA 0.306 4.646 4.340 -0.000 0.000 0.302 456 R C -0.024 176.099 176.300 -0.294 0.000 1.002 456 R CA -0.446 55.432 56.100 -0.369 0.000 0.929 456 R CB 0.784 30.788 30.300 -0.494 0.000 1.073 456 R HN 0.712 nan 8.270 nan 0.000 0.464 457 D N 2.331 122.515 120.400 -0.360 0.000 2.078 457 D HA 0.005 4.645 4.640 -0.000 0.000 0.193 457 D C 1.028 177.217 176.300 -0.186 0.000 0.990 457 D CA 2.038 55.904 54.000 -0.222 0.000 0.827 457 D CB -0.301 40.376 40.800 -0.207 0.000 0.975 457 D HN 0.832 nan 8.370 nan 0.000 0.451 458 G N -0.583 108.076 108.800 -0.235 0.000 2.569 458 G HA2 0.218 4.178 3.960 -0.000 0.000 0.259 458 G HA3 0.218 4.178 3.960 -0.000 0.000 0.259 458 G C 0.454 175.292 174.900 -0.103 0.000 1.263 458 G CA -0.042 44.964 45.100 -0.157 0.000 0.928 458 G HN 1.254 nan 8.290 nan 0.000 0.572 459 G N -1.679 107.083 108.800 -0.064 0.000 2.785 459 G HA2 0.251 4.211 3.960 -0.000 0.000 0.686 459 G HA3 0.251 4.211 3.960 -0.000 0.000 0.686 459 G C -0.368 174.510 174.900 -0.036 0.000 1.155 459 G CA 0.454 45.527 45.100 -0.045 0.000 0.760 459 G HN 1.868 nan 8.290 nan 0.000 0.624 460 N N 0.456 119.142 118.700 -0.023 0.000 2.394 460 N HA 0.360 5.100 4.740 -0.000 0.000 0.277 460 N C 0.120 175.618 175.510 -0.020 0.000 1.346 460 N CA 1.248 54.288 53.050 -0.016 0.000 0.910 460 N CB 1.211 39.692 38.487 -0.010 0.000 1.201 460 N HN 0.865 nan 8.380 nan 0.000 0.488 461 S N 1.403 117.090 115.700 -0.020 0.000 2.689 461 S HA 0.154 4.624 4.470 -0.000 0.000 0.274 461 S C 0.534 175.125 174.600 -0.014 0.000 1.176 461 S CA -0.966 57.222 58.200 -0.021 0.000 1.014 461 S CB 0.203 63.383 63.200 -0.033 0.000 1.071 461 S HN 0.589 nan 8.310 nan 0.000 0.478 462 N N 3.703 122.398 118.700 -0.009 0.000 2.609 462 N HA -0.074 4.666 4.740 -0.000 0.000 0.190 462 N C 0.074 175.582 175.510 -0.003 0.000 1.157 462 N CA 0.227 53.275 53.050 -0.004 0.000 0.918 462 N CB -0.514 37.972 38.487 -0.002 0.000 0.978 462 N HN 0.463 nan 8.380 nan 0.000 0.448 463 N N 1.845 120.540 118.700 -0.008 0.000 2.475 463 N HA -0.024 4.716 4.740 -0.000 0.000 0.267 463 N C -0.664 174.844 175.510 -0.004 0.000 1.169 463 N CA 0.040 53.086 53.050 -0.007 0.000 0.947 463 N CB 0.369 38.847 38.487 -0.014 0.000 1.061 463 N HN 0.174 nan 8.380 nan 0.000 0.466 464 E N 1.557 121.761 120.200 0.008 0.000 2.346 464 E HA 0.123 4.473 4.350 -0.000 0.000 0.317 464 E C -0.583 176.033 176.600 0.026 0.000 1.404 464 E CA -0.247 56.164 56.400 0.018 0.000 1.534 464 E CB -0.282 29.433 29.700 0.024 0.000 1.309 464 E HN 0.576 nan 8.360 nan 0.000 0.499 465 S N 0.643 116.348 115.700 0.008 0.000 2.537 465 S HA 0.391 4.861 4.470 -0.000 0.000 0.271 465 S C -0.895 173.674 174.600 -0.051 0.000 1.148 465 S CA -1.191 57.015 58.200 0.010 0.000 0.868 465 S CB 2.169 65.377 63.200 0.013 0.000 1.115 465 S HN 0.027 nan 8.310 nan 0.000 0.461 466 E N 1.689 121.852 120.200 -0.062 0.000 2.222 466 E HA 0.499 4.849 4.350 -0.000 0.000 0.267 466 E C -0.713 175.684 176.600 -0.339 0.000 0.884 466 E CA -0.716 55.522 56.400 -0.269 0.000 0.764 466 E CB 1.779 31.275 29.700 -0.341 0.000 1.169 466 E HN 0.645 nan 8.360 nan 0.000 0.413 467 I N 2.744 123.003 120.570 -0.519 0.000 2.359 467 I HA 0.412 4.582 4.170 -0.000 0.000 0.294 467 I C -0.206 175.508 176.117 -0.672 0.000 0.987 467 I CA -0.579 60.492 61.300 -0.381 0.000 1.225 467 I CB 0.044 37.919 38.000 -0.208 0.000 1.366 467 I HN 0.341 nan 8.210 nan 0.000 0.466 468 F N 4.976 124.841 119.950 -0.141 0.000 2.540 468 F HA 0.628 5.155 4.527 -0.000 0.000 0.317 468 F C 0.316 176.147 175.800 0.052 0.000 1.104 468 F CA -0.711 57.251 58.000 -0.064 0.000 0.913 468 F CB 1.791 40.741 39.000 -0.084 0.000 1.170 468 F HN 0.290 nan 8.300 nan 0.000 0.450 469 R N 2.244 122.833 120.500 0.148 0.000 2.795 469 R HA 0.507 4.847 4.340 -0.000 0.000 0.275 469 R C -2.902 173.315 176.300 -0.138 0.000 0.981 469 R CA -2.208 53.891 56.100 -0.001 0.000 0.917 469 R CB 2.053 32.346 30.300 -0.013 0.000 1.202 469 R HN 0.262 nan 8.270 nan 0.000 0.469 470 P HA 0.081 nan 4.420 nan 0.000 0.271 470 P C -0.596 176.627 177.300 -0.128 0.000 1.216 470 P CA 0.136 62.980 63.100 -0.426 0.000 0.771 470 P CB 1.384 32.671 31.700 -0.688 0.000 0.864 471 G N 0.771 109.549 108.800 -0.038 0.000 3.259 471 G HA2 0.738 4.698 3.960 -0.000 0.000 0.178 471 G HA3 0.738 4.698 3.960 -0.000 0.000 0.178 471 G C -0.077 174.845 174.900 0.037 0.000 1.129 471 G CA -0.353 44.751 45.100 0.007 0.000 0.816 471 G HN 0.796 nan 8.290 nan 0.000 0.634 472 G N -2.722 106.095 108.800 0.028 0.000 2.610 472 G HA2 0.454 4.414 3.960 -0.000 0.000 0.304 472 G HA3 0.454 4.414 3.960 -0.000 0.000 0.304 472 G C 0.846 175.760 174.900 0.024 0.000 1.309 472 G CA 0.908 46.024 45.100 0.027 0.000 0.906 472 G HN 2.535 nan 8.290 nan 0.000 0.521 473 G N -1.265 107.552 108.800 0.028 0.000 2.699 473 G HA2 0.029 3.989 3.960 -0.000 0.000 0.198 473 G HA3 0.029 3.989 3.960 -0.000 0.000 0.198 473 G C 0.091 175.011 174.900 0.032 0.000 1.033 473 G CA 1.054 46.172 45.100 0.029 0.000 0.728 473 G HN 1.631 nan 8.290 nan 0.000 0.484 474 D N 1.819 122.208 120.400 -0.018 0.000 2.380 474 D HA 0.491 5.131 4.640 -0.000 0.000 0.230 474 D C 1.872 178.077 176.300 -0.159 0.000 1.154 474 D CA -0.583 53.389 54.000 -0.048 0.000 0.859 474 D CB 0.613 41.366 40.800 -0.078 0.000 1.045 474 D HN 0.037 nan 8.370 nan 0.000 0.495 475 M N 3.040 122.539 119.600 -0.168 0.000 2.549 475 M HA -0.035 4.445 4.480 -0.000 0.000 0.260 475 M C 1.617 177.325 176.300 -0.987 0.000 1.076 475 M CA 0.733 55.678 55.300 -0.591 0.000 1.090 475 M CB -0.547 31.745 32.600 -0.513 0.000 1.418 475 M HN 0.371 nan 8.290 nan 0.000 0.486 476 R N 0.192 120.381 120.500 -0.519 0.000 2.115 476 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 476 R C 1.547 177.712 176.300 -0.225 0.000 1.111 476 R CA 0.973 56.869 56.100 -0.339 0.000 0.976 476 R CB -0.199 29.960 30.300 -0.234 0.000 0.870 476 R HN 0.344 nan 8.270 nan 0.000 0.445 477 D N 0.520 120.785 120.400 -0.224 0.000 2.117 477 D HA -0.139 4.500 4.640 -0.000 0.000 0.197 477 D C 1.433 177.681 176.300 -0.087 0.000 0.987 477 D CA 1.115 55.052 54.000 -0.104 0.000 0.829 477 D CB -0.401 40.349 40.800 -0.083 0.000 0.961 477 D HN 0.306 nan 8.370 nan 0.000 0.460 478 N N -0.064 118.452 118.700 -0.305 0.000 2.104 478 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 478 N C 2.009 177.534 175.510 0.025 0.000 1.024 478 N CA 0.994 53.871 53.050 -0.288 0.000 0.853 478 N CB -0.269 37.797 38.487 -0.703 0.000 1.008 478 N HN 0.419 nan 8.380 nan 0.000 0.424 479 W N 1.331 122.703 121.300 0.119 0.000 2.418 479 W HA 0.063 4.722 4.660 -0.000 0.000 0.292 479 W C 2.466 179.092 176.519 0.179 0.000 1.213 479 W CA -0.493 56.929 57.345 0.128 0.000 1.283 479 W CB -0.207 29.323 29.460 0.117 0.000 1.119 479 W HN -0.049 nan 8.180 nan 0.000 0.542 480 R N 0.936 121.659 120.500 0.372 0.000 2.159 480 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 480 R C 2.342 178.959 176.300 0.527 0.000 1.131 480 R CA 1.733 58.097 56.100 0.440 0.000 0.982 480 R CB -0.531 29.993 30.300 0.373 0.000 0.868 480 R HN 0.170 nan 8.270 nan 0.000 0.453 481 S N -0.007 115.930 115.700 0.395 0.000 2.515 481 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 481 S C 1.359 176.237 174.600 0.464 0.000 0.987 481 S CA 0.710 59.120 58.200 0.350 0.000 0.936 481 S CB 0.195 63.525 63.200 0.216 0.000 0.766 481 S HN 0.224 nan 8.310 nan 0.000 0.528 482 E N 0.621 121.092 120.200 0.451 0.000 2.364 482 E HA 0.322 4.672 4.350 -0.000 0.000 0.203 482 E C 1.468 178.281 176.600 0.355 0.000 0.888 482 E CA 0.235 56.887 56.400 0.421 0.000 0.989 482 E CB 0.020 29.942 29.700 0.371 0.000 0.985 482 E HN 0.489 nan 8.360 nan 0.000 0.499 483 L N 1.471 122.909 121.223 0.358 0.000 2.607 483 L HA 0.065 4.405 4.340 -0.000 0.000 0.228 483 L C 1.985 179.039 176.870 0.306 0.000 1.123 483 L CA -0.074 54.981 54.840 0.358 0.000 0.890 483 L CB -0.320 41.889 42.059 0.251 0.000 1.103 483 L HN 0.140 nan 8.230 nan 0.000 0.468 484 Y N 1.064 121.558 120.300 0.323 0.000 2.298 484 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 484 Y C 2.021 178.051 175.900 0.217 0.000 1.164 484 Y CA 1.305 59.566 58.100 0.269 0.000 1.229 484 Y CB -0.844 37.578 38.460 -0.064 0.000 0.977 484 Y HN 0.221 nan 8.280 nan 0.000 0.538 485 K N -1.122 118.971 120.400 -0.512 0.000 2.387 485 K HA 0.192 4.512 4.320 -0.000 0.000 0.198 485 K C -1.059 175.354 176.600 -0.312 0.000 1.022 485 K CA -0.239 55.783 56.287 -0.441 0.000 1.128 485 K CB -0.222 31.790 32.500 -0.814 0.000 0.853 485 K HN 0.326 nan 8.250 nan 0.000 0.523 486 Y N 1.520 121.935 120.300 0.192 0.000 2.549 486 Y HA 0.427 4.977 4.550 -0.000 0.000 0.339 486 Y C -0.323 175.760 175.900 0.305 0.000 1.053 486 Y CA -1.076 57.175 58.100 0.252 0.000 1.105 486 Y CB 1.943 40.449 38.460 0.077 0.000 1.258 486 Y HN -0.125 nan 8.280 nan 0.000 0.478 487 K N 0.896 121.499 120.400 0.337 0.000 2.557 487 K HA 0.586 4.905 4.320 -0.000 0.000 0.257 487 K C -2.435 174.185 176.600 0.034 0.000 0.933 487 K CA -0.713 55.607 56.287 0.056 0.000 0.820 487 K CB 2.509 34.793 32.500 -0.361 0.000 1.330 487 K HN 0.579 nan 8.250 nan 0.000 0.432 488 V N 4.518 124.433 119.914 0.002 0.000 2.427 488 V HA 0.637 4.757 4.120 -0.000 0.000 0.286 488 V C -1.236 174.911 176.094 0.088 0.000 1.034 488 V CA -0.376 61.950 62.300 0.042 0.000 0.893 488 V CB 1.450 33.251 31.823 -0.037 0.000 0.982 488 V HN 0.574 nan 8.190 nan 0.000 0.452 489 V N 6.688 126.725 119.914 0.205 0.000 2.789 489 V HA 0.601 4.721 4.120 -0.000 0.000 0.311 489 V C -0.376 175.916 176.094 0.329 0.000 1.073 489 V CA -1.088 61.345 62.300 0.222 0.000 0.921 489 V CB 2.436 34.309 31.823 0.085 0.000 1.009 489 V HN 0.999 nan 8.190 nan 0.000 0.426 490 K N 5.660 126.196 120.400 0.227 0.000 2.436 490 K HA 0.318 4.638 4.320 -0.000 0.000 0.282 490 K C 0.055 176.618 176.600 -0.062 0.000 1.044 490 K CA 0.454 56.703 56.287 -0.063 0.000 1.028 490 K CB 0.045 32.503 32.500 -0.069 0.000 0.919 490 K HN 0.611 nan 8.250 nan 0.000 0.474 491 I N 0.000 120.494 120.570 -0.126 0.000 2.984 491 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 491 I CA 0.000 61.259 61.300 -0.069 0.000 1.566 491 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494