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 3dzd_1_B DATA FIRST_RESID 2 DATA SEQUENCE KRVLVVDDEE SITSSLSAIL EEEGYHPDTA KTLREAEKKI KELFFPVIVL DATA SEQUENCE DVWXPDGDGV NFIDFIKENS PDSVVIVITG HGSVDTAVKA IKKGAYEFLE DATA SEQUENCE KPFSVERFLL TIKHAFEEYS KKAPPQEEIE FVGEHPKILE IKRLIPKIAK DATA SEQUENCE SKAPVLITGE SGTGKEIVAR LIHRYSGRKG AFVDLNCASI PQELAESELF DATA SEQUENCE GHEKGAFTGA LTRKKGKLEL ADQGTLFLDE VGELDQRVQA KLLRVLETGS DATA SEQUENCE FTRLGGNQKI EVDIRVISAT NKNLEEEIKK GNFREDLYYR LSVFQIYLPP DATA SEQUENCE LRERGKDVIL LAEYFLKKFA KEYKKNcFEL SEETKEYLXK QEWKGNVREL DATA SEQUENCE KNLIERAVIL cEGEVIKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.781 176.600 0.302 0.000 0.988 2 K CA 0.000 56.389 56.287 0.170 0.000 0.838 2 K CB 0.000 32.529 32.500 0.049 0.000 1.064 3 R N 1.344 121.980 120.500 0.227 0.000 2.490 3 R HA 0.517 4.837 4.340 -0.034 0.000 0.280 3 R C -0.370 176.157 176.300 0.378 0.000 1.077 3 R CA -0.724 55.547 56.100 0.285 0.000 1.065 3 R CB 0.884 31.228 30.300 0.072 0.000 1.003 3 R HN 0.237 nan 8.270 nan 0.000 0.470 4 V N 4.032 124.176 119.914 0.384 0.000 2.638 4 V HA 0.285 4.385 4.120 -0.034 0.000 0.306 4 V C -0.973 175.149 176.094 0.047 0.000 1.052 4 V CA -0.958 61.456 62.300 0.189 0.000 0.885 4 V CB 1.858 33.738 31.823 0.096 0.000 0.999 4 V HN 0.495 nan 8.190 nan 0.000 0.424 5 L N 5.959 127.000 121.223 -0.303 0.000 2.287 5 L HA 0.722 5.041 4.340 -0.034 0.000 0.287 5 L C -0.595 176.111 176.870 -0.274 0.000 1.022 5 L CA 0.039 54.520 54.840 -0.597 0.000 0.814 5 L CB 1.665 42.869 42.059 -1.424 0.000 1.217 5 L HN 0.459 nan 8.230 nan 0.000 0.420 6 V N 6.338 126.158 119.914 -0.157 0.000 2.328 6 V HA 0.350 4.449 4.120 -0.034 0.000 0.278 6 V C -0.220 175.821 176.094 -0.089 0.000 1.021 6 V CA -0.613 61.648 62.300 -0.065 0.000 0.838 6 V CB 1.401 33.228 31.823 0.006 0.000 0.999 6 V HN 0.531 nan 8.190 nan 0.000 0.447 7 V N 4.888 124.748 119.914 -0.091 0.000 2.304 7 V HA 0.508 4.608 4.120 -0.034 0.000 0.269 7 V C -0.235 175.814 176.094 -0.074 0.000 1.036 7 V CA -0.060 62.169 62.300 -0.119 0.000 0.840 7 V CB 0.951 32.669 31.823 -0.174 0.000 1.036 7 V HN 0.898 nan 8.190 nan 0.000 0.466 8 D N 2.599 122.966 120.400 -0.054 0.000 2.837 8 D HA 0.146 4.766 4.640 -0.034 0.000 0.220 8 D C 0.290 176.594 176.300 0.007 0.000 1.236 8 D CA -0.372 53.625 54.000 -0.004 0.000 0.838 8 D CB 2.974 43.790 40.800 0.028 0.000 1.647 8 D HN 0.496 nan 8.370 nan 0.000 0.486 9 D N 1.576 122.015 120.400 0.064 0.000 2.224 9 D HA -0.076 4.544 4.640 -0.034 0.000 0.205 9 D C -0.173 176.168 176.300 0.068 0.000 0.965 9 D CA 1.125 55.182 54.000 0.095 0.000 0.852 9 D CB 0.435 41.402 40.800 0.278 0.000 0.947 9 D HN 0.319 nan 8.370 nan 0.000 0.494 10 E N -0.186 120.045 120.200 0.053 0.000 2.283 10 E HA 0.123 4.453 4.350 -0.034 0.000 0.278 10 E C 0.706 177.305 176.600 -0.001 0.000 1.027 10 E CA -0.287 56.124 56.400 0.018 0.000 0.843 10 E CB 1.408 31.109 29.700 0.002 0.000 1.062 10 E HN 0.177 nan 8.360 nan 0.000 0.401 11 E N 0.791 120.986 120.200 -0.009 0.000 2.107 11 E HA -0.187 4.142 4.350 -0.034 0.000 0.191 11 E C 1.861 178.445 176.600 -0.026 0.000 0.982 11 E CA 1.321 57.712 56.400 -0.015 0.000 0.809 11 E CB -0.156 29.536 29.700 -0.014 0.000 0.756 11 E HN 0.485 nan 8.360 nan 0.000 0.459 12 S N 0.759 116.438 115.700 -0.034 0.000 2.399 12 S HA -0.129 4.321 4.470 -0.034 0.000 0.231 12 S C 1.891 176.453 174.600 -0.064 0.000 1.022 12 S CA 0.735 58.906 58.200 -0.050 0.000 0.983 12 S CB -0.269 62.896 63.200 -0.058 0.000 0.803 12 S HN 0.053 nan 8.310 nan 0.000 0.480 13 I N 3.386 123.923 120.570 -0.056 0.000 2.110 13 I HA -0.116 4.034 4.170 -0.034 0.000 0.236 13 I C 3.040 179.125 176.117 -0.053 0.000 1.068 13 I CA 2.005 63.267 61.300 -0.062 0.000 1.333 13 I CB -2.292 35.693 38.000 -0.025 0.000 1.054 13 I HN 0.531 nan 8.210 nan 0.000 0.402 14 T N -1.426 113.111 114.554 -0.029 0.000 2.759 14 T HA -0.148 4.182 4.350 -0.034 0.000 0.269 14 T C 2.124 176.810 174.700 -0.023 0.000 1.042 14 T CA 1.831 63.919 62.100 -0.021 0.000 1.140 14 T CB -0.663 68.195 68.868 -0.016 0.000 0.864 14 T HN 0.129 nan 8.240 nan 0.000 0.455 15 S N 1.122 116.805 115.700 -0.028 0.000 2.345 15 S HA -0.051 4.398 4.470 -0.034 0.000 0.220 15 S C 2.547 177.126 174.600 -0.036 0.000 1.031 15 S CA 1.136 59.321 58.200 -0.026 0.000 0.996 15 S CB -0.609 62.576 63.200 -0.025 0.000 0.882 15 S HN 0.585 nan 8.310 nan 0.000 0.445 16 S N 1.662 117.326 115.700 -0.060 0.000 2.359 16 S HA -0.069 4.381 4.470 -0.034 0.000 0.222 16 S C 1.840 176.383 174.600 -0.095 0.000 1.038 16 S CA 1.314 59.465 58.200 -0.083 0.000 1.051 16 S CB -0.588 62.537 63.200 -0.125 0.000 0.944 16 S HN 0.359 nan 8.310 nan 0.000 0.433 17 L N 0.767 121.908 121.223 -0.136 0.000 2.083 17 L HA -0.095 4.225 4.340 -0.034 0.000 0.209 17 L C 2.624 179.502 176.870 0.013 0.000 1.083 17 L CA 0.901 55.635 54.840 -0.177 0.000 0.752 17 L CB -0.657 41.272 42.059 -0.217 0.000 0.899 17 L HN 0.258 nan 8.230 nan 0.000 0.433 18 S N -0.114 115.599 115.700 0.023 0.000 2.359 18 S HA -0.223 4.227 4.470 -0.034 0.000 0.224 18 S C 2.159 176.797 174.600 0.063 0.000 1.035 18 S CA 1.465 59.699 58.200 0.058 0.000 1.018 18 S CB -0.231 62.988 63.200 0.031 0.000 0.876 18 S HN 0.519 nan 8.310 nan 0.000 0.448 19 A N 0.790 123.629 122.820 0.032 0.000 1.930 19 A HA 0.015 4.315 4.320 -0.034 0.000 0.217 19 A C 2.041 179.662 177.584 0.061 0.000 1.175 19 A CA 1.038 53.093 52.037 0.031 0.000 0.627 19 A CB -0.570 18.435 19.000 0.007 0.000 0.815 19 A HN 0.505 nan 8.150 nan 0.000 0.443 20 I N -0.285 120.330 120.570 0.076 0.000 2.202 20 I HA -0.244 3.905 4.170 -0.034 0.000 0.242 20 I C 2.372 178.628 176.117 0.232 0.000 1.091 20 I CA 1.043 62.425 61.300 0.138 0.000 1.368 20 I CB -0.338 37.745 38.000 0.139 0.000 1.058 20 I HN 0.288 nan 8.210 nan 0.000 0.410 21 L N 0.334 121.732 121.223 0.291 0.000 1.989 21 L HA -0.267 4.052 4.340 -0.034 0.000 0.211 21 L C 2.646 179.695 176.870 0.298 0.000 1.071 21 L CA 1.778 56.855 54.840 0.395 0.000 0.749 21 L CB -0.800 41.463 42.059 0.340 0.000 0.890 21 L HN 0.325 nan 8.230 nan 0.000 0.431 22 E N 0.549 120.849 120.200 0.167 0.000 2.070 22 E HA -0.331 3.999 4.350 -0.034 0.000 0.197 22 E C 2.105 178.732 176.600 0.045 0.000 1.004 22 E CA 1.874 58.320 56.400 0.077 0.000 0.805 22 E CB -0.064 29.655 29.700 0.031 0.000 0.744 22 E HN 0.510 nan 8.360 nan 0.000 0.451 23 E N -0.202 120.033 120.200 0.058 0.000 2.153 23 E HA -0.189 4.140 4.350 -0.034 0.000 0.194 23 E C 1.469 178.074 176.600 0.008 0.000 0.988 23 E CA 0.967 57.386 56.400 0.031 0.000 0.811 23 E CB 0.150 29.876 29.700 0.044 0.000 0.746 23 E HN 0.207 nan 8.360 nan 0.000 0.466 24 E N -1.014 119.201 120.200 0.025 0.000 2.489 24 E HA 0.054 4.384 4.350 -0.034 0.000 0.193 24 E C 0.998 177.414 176.600 -0.307 0.000 1.057 24 E CA 0.697 57.056 56.400 -0.068 0.000 0.866 24 E CB 1.124 30.861 29.700 0.062 0.000 0.916 24 E HN 0.472 nan 8.360 nan 0.000 0.500 25 G N 0.313 108.966 108.800 -0.245 0.000 2.211 25 G HA2 -0.235 3.704 3.960 -0.034 0.000 0.201 25 G HA3 -0.235 3.704 3.960 -0.034 0.000 0.201 25 G C 0.064 174.787 174.900 -0.295 0.000 0.997 25 G CA -0.217 44.701 45.100 -0.303 0.000 0.652 25 G HN 0.162 nan 8.290 nan 0.000 0.500 26 Y N 0.400 120.705 120.300 0.009 0.000 2.282 26 Y HA 0.675 5.206 4.550 -0.033 0.000 0.335 26 Y C 1.004 176.969 175.900 0.109 0.000 1.335 26 Y CA -0.390 57.739 58.100 0.048 0.000 1.529 26 Y CB 0.487 38.999 38.460 0.086 0.000 1.429 26 Y HN 0.145 nan 8.280 nan 0.000 0.563 27 H N 2.082 121.311 119.070 0.265 0.000 2.675 27 H HA 0.356 4.892 4.556 -0.033 0.000 0.258 27 H C -2.894 172.559 175.328 0.209 0.000 1.271 27 H CA -2.515 53.642 56.048 0.182 0.000 1.462 27 H CB 0.883 30.727 29.762 0.138 0.000 1.467 27 H HN 0.351 nan 8.280 nan 0.000 0.501 28 P HA 0.172 nan 4.420 nan 0.000 0.275 28 P C -0.252 177.182 177.300 0.222 0.000 1.228 28 P CA -0.069 63.158 63.100 0.212 0.000 0.786 28 P CB 1.552 33.333 31.700 0.136 0.000 0.927 29 D N -0.264 120.244 120.400 0.180 0.000 2.645 29 D HA 0.455 5.074 4.640 -0.034 0.000 0.228 29 D C -0.902 175.396 176.300 -0.002 0.000 1.148 29 D CA -0.141 53.943 54.000 0.141 0.000 0.860 29 D CB 2.483 43.450 40.800 0.279 0.000 1.548 29 D HN 0.395 nan 8.370 nan 0.000 0.460 30 T N -1.487 113.064 114.554 -0.005 0.000 2.906 30 T HA 0.836 5.166 4.350 -0.034 0.000 0.295 30 T C -1.016 173.650 174.700 -0.057 0.000 1.061 30 T CA -0.775 61.298 62.100 -0.046 0.000 1.000 30 T CB 1.892 70.748 68.868 -0.019 0.000 1.103 30 T HN 0.369 nan 8.240 nan 0.000 0.486 31 A N 1.894 124.661 122.820 -0.087 0.000 2.398 31 A HA 0.715 5.015 4.320 -0.034 0.000 0.301 31 A C 0.552 178.079 177.584 -0.095 0.000 1.041 31 A CA -0.860 51.122 52.037 -0.092 0.000 0.711 31 A CB 1.577 20.500 19.000 -0.128 0.000 1.240 31 A HN 0.684 nan 8.150 nan 0.000 0.420 32 K N 0.647 120.999 120.400 -0.079 0.000 2.393 32 K HA 0.124 4.424 4.320 -0.034 0.000 0.193 32 K C 0.550 177.089 176.600 -0.102 0.000 1.026 32 K CA 1.295 57.541 56.287 -0.068 0.000 1.064 32 K CB 0.356 32.832 32.500 -0.039 0.000 0.833 32 K HN 0.936 nan 8.250 nan 0.000 0.521 33 T N -3.650 110.818 114.554 -0.144 0.000 2.864 33 T HA 0.416 4.746 4.350 -0.034 0.000 0.299 33 T C 1.113 175.641 174.700 -0.287 0.000 1.166 33 T CA -0.831 61.153 62.100 -0.195 0.000 1.007 33 T CB 1.197 69.979 68.868 -0.144 0.000 1.219 33 T HN -0.145 nan 8.240 nan 0.000 0.506 34 L N 0.251 121.246 121.223 -0.379 0.000 2.141 34 L HA 0.039 4.359 4.340 -0.034 0.000 0.209 34 L C 3.065 179.731 176.870 -0.341 0.000 1.094 34 L CA 1.182 55.681 54.840 -0.569 0.000 0.763 34 L CB -0.482 41.217 42.059 -0.600 0.000 0.908 34 L HN 0.777 nan 8.230 nan 0.000 0.437 35 R N 0.660 121.036 120.500 -0.206 0.000 2.083 35 R HA -0.246 4.074 4.340 -0.034 0.000 0.237 35 R C 2.257 178.504 176.300 -0.088 0.000 1.137 35 R CA 2.026 58.057 56.100 -0.115 0.000 0.951 35 R CB -0.153 30.099 30.300 -0.079 0.000 0.851 35 R HN 0.356 nan 8.270 nan 0.000 0.434 36 E N -0.432 119.708 120.200 -0.099 0.000 2.106 36 E HA -0.176 4.154 4.350 -0.034 0.000 0.192 36 E C 1.745 178.312 176.600 -0.055 0.000 0.984 36 E CA 1.068 57.432 56.400 -0.061 0.000 0.806 36 E CB -0.090 29.573 29.700 -0.062 0.000 0.750 36 E HN 0.493 nan 8.360 nan 0.000 0.458 37 A N 1.153 123.896 122.820 -0.127 0.000 1.902 37 A HA -0.215 4.085 4.320 -0.034 0.000 0.217 37 A C 1.915 179.529 177.584 0.049 0.000 1.181 37 A CA 1.578 53.561 52.037 -0.089 0.000 0.623 37 A CB -0.474 18.369 19.000 -0.261 0.000 0.818 37 A HN 0.327 nan 8.150 nan 0.000 0.443 38 E N -0.375 119.814 120.200 -0.018 0.000 2.058 38 E HA -0.255 4.075 4.350 -0.034 0.000 0.194 38 E C 2.065 178.760 176.600 0.159 0.000 0.997 38 E CA 1.562 57.939 56.400 -0.038 0.000 0.801 38 E CB -0.148 29.442 29.700 -0.183 0.000 0.746 38 E HN 0.653 nan 8.360 nan 0.000 0.450 39 K N 1.780 122.240 120.400 0.100 0.000 2.020 39 K HA -0.213 4.086 4.320 -0.034 0.000 0.212 39 K C 1.869 178.564 176.600 0.158 0.000 1.050 39 K CA 1.804 58.161 56.287 0.117 0.000 0.929 39 K CB -0.009 32.534 32.500 0.072 0.000 0.714 39 K HN -0.119 nan 8.250 nan 0.000 0.443 40 K N -0.133 120.369 120.400 0.169 0.000 2.211 40 K HA 0.006 4.305 4.320 -0.034 0.000 0.203 40 K C 2.058 178.883 176.600 0.375 0.000 1.050 40 K CA 1.415 57.856 56.287 0.256 0.000 0.945 40 K CB -0.058 32.597 32.500 0.259 0.000 0.732 40 K HN 0.224 nan 8.250 nan 0.000 0.451 41 I N 0.930 121.714 120.570 0.357 0.000 2.333 41 I HA -0.225 3.925 4.170 -0.034 0.000 0.246 41 I C 1.658 177.956 176.117 0.302 0.000 1.106 41 I CA 1.156 62.700 61.300 0.406 0.000 1.411 41 I CB -0.029 38.231 38.000 0.434 0.000 1.082 41 I HN 0.046 nan 8.210 nan 0.000 0.420 42 K N 0.551 121.116 120.400 0.275 0.000 2.365 42 K HA -0.173 4.127 4.320 -0.034 0.000 0.199 42 K C 1.822 178.499 176.600 0.128 0.000 1.045 42 K CA 0.990 57.386 56.287 0.181 0.000 0.962 42 K CB -0.030 32.578 32.500 0.179 0.000 0.759 42 K HN 0.449 nan 8.250 nan 0.000 0.469 43 E N 0.362 120.644 120.200 0.136 0.000 2.290 43 E HA 0.027 4.357 4.350 -0.034 0.000 0.197 43 E C -0.210 176.417 176.600 0.045 0.000 0.948 43 E CA 0.143 56.595 56.400 0.087 0.000 0.895 43 E CB 0.507 30.262 29.700 0.092 0.000 0.865 43 E HN 0.008 nan 8.360 nan 0.000 0.486 44 L N 1.135 122.376 121.223 0.029 0.000 2.381 44 L HA 0.354 4.674 4.340 -0.034 0.000 0.268 44 L C -0.979 175.782 176.870 -0.181 0.000 0.997 44 L CA -0.873 53.870 54.840 -0.161 0.000 0.818 44 L CB 1.952 43.750 42.059 -0.435 0.000 1.310 44 L HN 0.082 nan 8.230 nan 0.000 0.416 45 F N 3.316 123.084 119.950 -0.303 0.000 2.421 45 F HA 0.484 4.988 4.527 -0.038 0.000 0.358 45 F C -0.882 174.683 175.800 -0.392 0.000 1.115 45 F CA -0.504 57.365 58.000 -0.218 0.000 1.160 45 F CB 0.200 39.136 39.000 -0.107 0.000 1.123 45 F HN 0.148 nan 8.300 nan 0.000 0.508 46 F N 8.472 127.951 119.950 -0.786 0.000 2.361 46 F HA 0.364 4.869 4.527 -0.038 0.000 0.364 46 F C -1.608 173.480 175.800 -1.186 0.000 1.120 46 F CA -2.110 55.452 58.000 -0.731 0.000 1.102 46 F CB 0.955 39.748 39.000 -0.346 0.000 1.183 46 F HN 0.406 nan 8.300 nan 0.000 0.476 47 P HA -0.126 nan 4.420 nan 0.000 0.219 47 P C -0.236 176.612 177.300 -0.753 0.000 1.146 47 P CA 1.191 63.661 63.100 -1.051 0.000 0.808 47 P CB 0.306 31.375 31.700 -1.050 0.000 0.779 48 V N -0.183 119.371 119.914 -0.600 0.000 2.760 48 V HA 0.368 4.467 4.120 -0.034 0.000 0.309 48 V C -0.362 175.571 176.094 -0.267 0.000 1.077 48 V CA -0.621 61.375 62.300 -0.506 0.000 0.910 48 V CB 2.710 34.041 31.823 -0.819 0.000 1.008 48 V HN -0.212 nan 8.190 nan 0.000 0.424 49 I N 4.058 124.514 120.570 -0.189 0.000 2.468 49 I HA 0.440 4.590 4.170 -0.034 0.000 0.285 49 I C -0.714 175.359 176.117 -0.074 0.000 1.039 49 I CA -0.828 60.391 61.300 -0.135 0.000 1.074 49 I CB 2.199 40.152 38.000 -0.079 0.000 1.228 49 I HN 0.263 nan 8.210 nan 0.000 0.436 50 V N 6.970 126.850 119.914 -0.057 0.000 2.406 50 V HA 0.379 4.478 4.120 -0.034 0.000 0.272 50 V C -0.338 175.765 176.094 0.015 0.000 1.043 50 V CA -0.475 61.831 62.300 0.010 0.000 0.915 50 V CB 1.488 33.365 31.823 0.090 0.000 0.988 50 V HN 0.448 nan 8.190 nan 0.000 0.466 51 L N 4.687 125.934 121.223 0.040 0.000 2.406 51 L HA 0.630 4.950 4.340 -0.034 0.000 0.272 51 L C -0.491 176.415 176.870 0.059 0.000 0.980 51 L CA -0.141 54.719 54.840 0.034 0.000 0.831 51 L CB 1.821 43.920 42.059 0.067 0.000 1.253 51 L HN 0.573 nan 8.230 nan 0.000 0.406 52 D N 2.989 123.420 120.400 0.051 0.000 2.390 52 D HA 0.071 4.691 4.640 -0.034 0.000 0.249 52 D C 1.403 177.758 176.300 0.092 0.000 1.144 52 D CA 0.263 54.322 54.000 0.098 0.000 0.880 52 D CB 1.914 42.789 40.800 0.126 0.000 1.182 52 D HN 0.572 nan 8.370 nan 0.000 0.451 53 V N 2.639 122.628 119.914 0.124 0.000 2.568 53 V HA -0.049 4.051 4.120 -0.034 0.000 0.253 53 V C 0.937 177.117 176.094 0.143 0.000 1.072 53 V CA 0.689 63.058 62.300 0.114 0.000 1.084 53 V CB -0.891 30.999 31.823 0.112 0.000 0.676 53 V HN 0.540 nan 8.190 nan 0.000 0.469 57 D N 1.462 121.655 120.400 -0.346 0.000 2.519 57 D HA 0.470 5.090 4.640 -0.034 0.000 0.238 57 D C 0.748 176.908 176.300 -0.233 0.000 1.192 57 D CA 0.605 54.467 54.000 -0.231 0.000 0.835 57 D CB 0.191 40.886 40.800 -0.176 0.000 0.975 57 D HN 0.517 nan 8.370 nan 0.000 0.490 58 G N -0.053 108.568 108.800 -0.299 0.000 2.352 58 G HA2 0.102 4.042 3.960 -0.034 0.000 0.302 58 G HA3 0.102 4.042 3.960 -0.034 0.000 0.302 58 G C -1.989 172.749 174.900 -0.269 0.000 1.370 58 G CA -1.022 43.944 45.100 -0.224 0.000 0.918 58 G HN 0.087 nan 8.290 nan 0.000 0.610 59 D N -0.097 120.215 120.400 -0.146 0.000 2.325 59 D HA 0.498 5.117 4.640 -0.034 0.000 0.251 59 D C 1.545 177.808 176.300 -0.062 0.000 1.196 59 D CA 0.952 54.887 54.000 -0.108 0.000 0.866 59 D CB 1.068 41.849 40.800 -0.032 0.000 1.101 59 D HN 0.659 nan 8.370 nan 0.000 0.476 60 G N 2.541 111.286 108.800 -0.092 0.000 2.402 60 G HA2 -0.188 3.752 3.960 -0.034 0.000 0.216 60 G HA3 -0.188 3.752 3.960 -0.034 0.000 0.216 60 G C 1.569 176.516 174.900 0.079 0.000 1.162 60 G CA 0.478 45.559 45.100 -0.031 0.000 0.777 60 G HN 0.488 nan 8.290 nan 0.000 0.539 61 V N 1.489 121.438 119.914 0.059 0.000 2.407 61 V HA -0.183 3.917 4.120 -0.034 0.000 0.248 61 V C 2.622 178.766 176.094 0.083 0.000 1.055 61 V CA 1.885 64.226 62.300 0.068 0.000 1.049 61 V CB -0.417 31.432 31.823 0.042 0.000 0.662 61 V HN 0.312 nan 8.190 nan 0.000 0.455 62 N N -0.268 118.482 118.700 0.084 0.000 2.188 62 N HA -0.127 4.592 4.740 -0.034 0.000 0.184 62 N C 1.552 177.141 175.510 0.133 0.000 1.018 62 N CA 1.068 54.171 53.050 0.087 0.000 0.858 62 N CB -0.566 37.964 38.487 0.071 0.000 0.989 62 N HN 0.485 nan 8.380 nan 0.000 0.426 63 F N 1.778 121.733 119.950 0.009 0.000 2.346 63 F HA -0.058 4.455 4.527 -0.023 0.000 0.301 63 F C 1.813 177.666 175.800 0.089 0.000 1.070 63 F CA 0.643 58.658 58.000 0.025 0.000 1.407 63 F CB -0.202 38.763 39.000 -0.058 0.000 1.072 63 F HN -0.001 nan 8.300 nan 0.000 0.543 64 I N -0.294 120.345 120.570 0.114 0.000 2.286 64 I HA -0.316 3.833 4.170 -0.034 0.000 0.248 64 I C 1.984 178.095 176.117 -0.010 0.000 1.115 64 I CA 1.387 62.718 61.300 0.052 0.000 1.392 64 I CB -0.548 37.494 38.000 0.070 0.000 1.065 64 I HN 0.054 nan 8.210 nan 0.000 0.418 65 D N 0.663 121.061 120.400 -0.005 0.000 2.117 65 D HA -0.208 4.412 4.640 -0.034 0.000 0.197 65 D C 1.943 178.202 176.300 -0.068 0.000 0.987 65 D CA 1.240 55.226 54.000 -0.023 0.000 0.829 65 D CB -0.351 40.448 40.800 -0.002 0.000 0.961 65 D HN 0.299 nan 8.370 nan 0.000 0.460 66 F N 1.630 121.411 119.950 -0.283 0.000 2.069 66 F HA -0.211 4.310 4.527 -0.009 0.000 0.298 66 F C 2.284 177.878 175.800 -0.344 0.000 1.113 66 F CA 1.374 59.150 58.000 -0.373 0.000 1.214 66 F CB -0.256 38.326 39.000 -0.696 0.000 0.978 66 F HN -0.159 nan 8.300 nan 0.000 0.474 67 I N 0.499 121.022 120.570 -0.078 0.000 2.208 67 I HA -0.339 3.811 4.170 -0.034 0.000 0.245 67 I C 2.512 178.594 176.117 -0.058 0.000 1.097 67 I CA 1.661 62.950 61.300 -0.017 0.000 1.363 67 I CB -0.607 37.397 38.000 0.006 0.000 1.051 67 I HN 0.155 nan 8.210 nan 0.000 0.413 68 K N 0.548 120.911 120.400 -0.062 0.000 2.280 68 K HA -0.236 4.063 4.320 -0.034 0.000 0.202 68 K C 1.895 178.446 176.600 -0.082 0.000 1.047 68 K CA 1.449 57.711 56.287 -0.042 0.000 0.942 68 K CB 0.139 32.624 32.500 -0.026 0.000 0.739 68 K HN 0.248 nan 8.250 nan 0.000 0.457 69 E N 0.102 120.202 120.200 -0.166 0.000 2.201 69 E HA 0.001 4.330 4.350 -0.034 0.000 0.193 69 E C 1.155 177.612 176.600 -0.238 0.000 0.957 69 E CA 0.948 57.226 56.400 -0.204 0.000 0.858 69 E CB 0.222 29.766 29.700 -0.260 0.000 0.816 69 E HN 0.192 nan 8.360 nan 0.000 0.475 70 N N -0.571 117.927 118.700 -0.336 0.000 2.282 70 N HA 0.068 4.788 4.740 -0.034 0.000 0.185 70 N C -0.360 175.114 175.510 -0.059 0.000 1.099 70 N CA 0.314 53.199 53.050 -0.276 0.000 0.878 70 N CB 1.108 39.270 38.487 -0.541 0.000 0.993 70 N HN -0.066 nan 8.380 nan 0.000 0.481 71 S N 0.700 116.403 115.700 0.005 0.000 2.605 71 S HA 0.301 4.751 4.470 -0.034 0.000 0.142 71 S C -2.146 172.548 174.600 0.157 0.000 1.452 71 S CA -0.964 57.332 58.200 0.160 0.000 1.240 71 S CB 0.746 64.088 63.200 0.236 0.000 1.538 71 S HN -0.132 nan 8.310 nan 0.000 0.394 72 P HA -0.088 nan 4.420 nan 0.000 0.216 72 P C 0.598 177.970 177.300 0.119 0.000 1.150 72 P CA 1.196 64.332 63.100 0.061 0.000 0.843 72 P CB 0.113 31.821 31.700 0.014 0.000 0.787 73 D N -1.450 119.073 120.400 0.206 0.000 2.340 73 D HA 0.048 4.668 4.640 -0.034 0.000 0.220 73 D C 0.222 176.774 176.300 0.421 0.000 1.039 73 D CA 0.482 54.659 54.000 0.294 0.000 0.866 73 D CB -0.177 40.780 40.800 0.262 0.000 0.913 73 D HN 0.115 nan 8.370 nan 0.000 0.523 74 S N 0.382 116.268 115.700 0.310 0.000 2.549 74 S HA 0.216 4.666 4.470 -0.034 0.000 0.279 74 S C 0.296 174.916 174.600 0.033 0.000 1.321 74 S CA -0.481 57.764 58.200 0.075 0.000 1.054 74 S CB 1.855 65.066 63.200 0.018 0.000 0.899 74 S HN -0.101 nan 8.310 nan 0.000 0.497 75 V N 4.552 124.428 119.914 -0.063 0.000 2.394 75 V HA 0.363 4.463 4.120 -0.034 0.000 0.282 75 V C -0.106 175.961 176.094 -0.046 0.000 1.031 75 V CA -0.603 61.661 62.300 -0.060 0.000 0.881 75 V CB 1.452 33.179 31.823 -0.160 0.000 0.982 75 V HN 0.633 nan 8.190 nan 0.000 0.451 76 V N 6.619 126.563 119.914 0.049 0.000 2.398 76 V HA 0.510 4.610 4.120 -0.034 0.000 0.286 76 V C -0.198 175.948 176.094 0.087 0.000 1.026 76 V CA -0.412 61.920 62.300 0.053 0.000 0.868 76 V CB 1.646 33.514 31.823 0.075 0.000 0.982 76 V HN 0.681 nan 8.190 nan 0.000 0.443 77 I N 5.575 126.168 120.570 0.039 0.000 2.378 77 I HA 0.500 4.650 4.170 -0.034 0.000 0.291 77 I C -0.113 176.032 176.117 0.047 0.000 0.992 77 I CA -0.769 60.548 61.300 0.028 0.000 1.154 77 I CB 1.913 39.890 38.000 -0.039 0.000 1.315 77 I HN 0.522 nan 8.210 nan 0.000 0.448 78 V N 4.965 124.927 119.914 0.081 0.000 2.532 78 V HA 0.608 4.707 4.120 -0.034 0.000 0.295 78 V C -0.139 176.026 176.094 0.118 0.000 1.041 78 V CA -0.667 61.694 62.300 0.102 0.000 0.926 78 V CB 1.651 33.540 31.823 0.110 0.000 0.992 78 V HN 0.503 nan 8.190 nan 0.000 0.457 79 I N 3.092 123.737 120.570 0.125 0.000 2.392 79 I HA 0.537 4.687 4.170 -0.034 0.000 0.295 79 I C 0.324 176.547 176.117 0.178 0.000 0.985 79 I CA 0.030 61.428 61.300 0.163 0.000 1.221 79 I CB 1.872 39.998 38.000 0.209 0.000 1.366 79 I HN 0.812 nan 8.210 nan 0.000 0.467 80 T N 3.707 118.384 114.554 0.204 0.000 2.900 80 T HA 0.545 4.875 4.350 -0.034 0.000 0.295 80 T C 0.013 174.812 174.700 0.165 0.000 1.044 80 T CA -0.455 61.743 62.100 0.163 0.000 0.995 80 T CB 1.619 70.566 68.868 0.132 0.000 1.072 80 T HN 0.788 nan 8.240 nan 0.000 0.473 81 G N 1.121 109.991 108.800 0.118 0.000 2.594 81 G HA2 0.278 4.218 3.960 -0.034 0.000 0.243 81 G HA3 0.278 4.218 3.960 -0.034 0.000 0.243 81 G C -0.374 174.603 174.900 0.128 0.000 1.229 81 G CA -0.124 45.042 45.100 0.110 0.000 0.843 81 G HN 0.914 nan 8.290 nan 0.000 0.578 82 H N -0.347 118.760 119.070 0.060 0.000 2.964 82 H HA 0.348 4.884 4.556 -0.034 0.000 0.328 82 H C 1.623 176.976 175.328 0.043 0.000 1.030 82 H CA 1.851 57.936 56.048 0.062 0.000 1.445 82 H CB 0.541 30.328 29.762 0.042 0.000 1.449 82 H HN 0.951 nan 8.280 nan 0.000 0.581 83 G N 2.743 111.454 108.800 -0.149 0.000 2.417 83 G HA2 -0.390 3.550 3.960 -0.034 0.000 0.233 83 G HA3 -0.390 3.550 3.960 -0.034 0.000 0.233 83 G C 0.987 175.877 174.900 -0.018 0.000 1.103 83 G CA 0.655 45.735 45.100 -0.033 0.000 0.647 83 G HN 1.084 nan 8.290 nan 0.000 0.512 84 S N 0.914 116.616 115.700 0.004 0.000 3.227 84 S HA 0.483 4.933 4.470 -0.034 0.000 0.249 84 S C 1.577 176.154 174.600 -0.039 0.000 1.322 84 S CA 0.621 58.818 58.200 -0.006 0.000 1.253 84 S CB 0.731 63.941 63.200 0.016 0.000 1.076 84 S HN 0.731 nan 8.310 nan 0.000 0.471 85 V N 1.911 121.780 119.914 -0.074 0.000 2.913 85 V HA -0.138 3.961 4.120 -0.034 0.000 0.260 85 V C 2.049 178.018 176.094 -0.209 0.000 1.098 85 V CA 1.698 63.898 62.300 -0.167 0.000 1.121 85 V CB -0.583 31.155 31.823 -0.141 0.000 0.714 85 V HN 0.647 nan 8.190 nan 0.000 0.487 86 D N 0.319 120.647 120.400 -0.119 0.000 2.133 86 D HA -0.217 4.403 4.640 -0.034 0.000 0.192 86 D C 2.018 178.253 176.300 -0.108 0.000 1.001 86 D CA 2.133 56.073 54.000 -0.099 0.000 0.844 86 D CB -0.548 40.221 40.800 -0.052 0.000 0.944 86 D HN 0.456 nan 8.370 nan 0.000 0.447 87 T N 0.786 115.289 114.554 -0.085 0.000 2.995 87 T HA 0.059 4.388 4.350 -0.034 0.000 0.269 87 T C 2.105 176.745 174.700 -0.101 0.000 1.091 87 T CA 0.993 63.058 62.100 -0.058 0.000 1.128 87 T CB -0.091 68.774 68.868 -0.006 0.000 0.891 87 T HN 0.267 nan 8.240 nan 0.000 0.492 88 A N 1.367 124.064 122.820 -0.206 0.000 1.897 88 A HA 0.018 4.317 4.320 -0.034 0.000 0.215 88 A C 2.550 179.935 177.584 -0.331 0.000 1.181 88 A CA 1.041 52.881 52.037 -0.328 0.000 0.620 88 A CB -0.962 17.584 19.000 -0.756 0.000 0.821 88 A HN 0.348 nan 8.150 nan 0.000 0.443 89 V N 0.616 120.326 119.914 -0.341 0.000 2.324 89 V HA -0.347 3.753 4.120 -0.034 0.000 0.250 89 V C 2.399 178.424 176.094 -0.115 0.000 1.060 89 V CA 2.464 64.632 62.300 -0.220 0.000 1.042 89 V CB -0.891 30.831 31.823 -0.169 0.000 0.650 89 V HN 0.562 nan 8.190 nan 0.000 0.450 90 K N 0.589 120.935 120.400 -0.090 0.000 2.063 90 K HA -0.156 4.144 4.320 -0.034 0.000 0.208 90 K C 2.349 178.935 176.600 -0.025 0.000 1.048 90 K CA 1.612 57.873 56.287 -0.043 0.000 0.928 90 K CB -0.494 31.989 32.500 -0.028 0.000 0.713 90 K HN 0.492 nan 8.250 nan 0.000 0.442 91 A N 1.572 124.375 122.820 -0.028 0.000 1.898 91 A HA -0.136 4.164 4.320 -0.034 0.000 0.216 91 A C 2.088 179.680 177.584 0.015 0.000 1.181 91 A CA 1.155 53.196 52.037 0.006 0.000 0.620 91 A CB -0.410 18.602 19.000 0.021 0.000 0.819 91 A HN 0.104 nan 8.150 nan 0.000 0.442 92 I N -0.177 120.389 120.570 -0.007 0.000 2.286 92 I HA -0.198 3.952 4.170 -0.034 0.000 0.248 92 I C 2.180 178.308 176.117 0.017 0.000 1.115 92 I CA 1.651 62.961 61.300 0.017 0.000 1.392 92 I CB -1.129 36.875 38.000 0.006 0.000 1.065 92 I HN 0.316 nan 8.210 nan 0.000 0.418 93 K N 0.679 121.079 120.400 -0.001 0.000 2.097 93 K HA -0.108 4.192 4.320 -0.034 0.000 0.205 93 K C 1.972 178.581 176.600 0.013 0.000 1.050 93 K CA 0.888 57.177 56.287 0.004 0.000 0.938 93 K CB -0.056 32.440 32.500 -0.007 0.000 0.718 93 K HN 0.132 nan 8.250 nan 0.000 0.442 94 K N -0.805 119.605 120.400 0.016 0.000 2.504 94 K HA -0.024 4.276 4.320 -0.034 0.000 0.195 94 K C 0.636 177.255 176.600 0.031 0.000 1.036 94 K CA 0.878 57.178 56.287 0.022 0.000 0.984 94 K CB 0.482 32.998 32.500 0.026 0.000 0.788 94 K HN 0.430 nan 8.250 nan 0.000 0.488 95 G N 0.008 108.833 108.800 0.041 0.000 2.227 95 G HA2 -0.181 3.759 3.960 -0.034 0.000 0.168 95 G HA3 -0.181 3.759 3.960 -0.034 0.000 0.168 95 G C 0.138 175.087 174.900 0.082 0.000 1.006 95 G CA -0.133 45.001 45.100 0.056 0.000 0.684 95 G HN 0.398 nan 8.290 nan 0.000 0.489 96 A N -0.321 122.548 122.820 0.081 0.000 2.520 96 A HA 0.490 4.790 4.320 -0.034 0.000 0.235 96 A C 0.782 178.453 177.584 0.145 0.000 1.065 96 A CA 1.223 53.323 52.037 0.106 0.000 0.764 96 A CB 0.236 19.290 19.000 0.089 0.000 1.002 96 A HN 1.330 nan 8.150 nan 0.000 0.502 97 Y N 0.152 120.474 120.300 0.036 0.000 2.347 97 Y HA 0.206 4.735 4.550 -0.035 0.000 0.294 97 Y C 0.668 176.597 175.900 0.048 0.000 1.117 97 Y CA 1.479 59.598 58.100 0.032 0.000 1.184 97 Y CB 0.410 38.875 38.460 0.008 0.000 1.047 97 Y HN 0.684 nan 8.280 nan 0.000 0.546 98 E N -0.817 119.292 120.200 -0.151 0.000 2.456 98 E HA 0.323 4.652 4.350 -0.034 0.000 0.278 98 E C -1.848 174.776 176.600 0.041 0.000 1.034 98 E CA -0.654 55.612 56.400 -0.225 0.000 0.846 98 E CB 2.256 31.727 29.700 -0.381 0.000 1.460 98 E HN -0.001 nan 8.360 nan 0.000 0.463 99 F N -0.785 119.080 119.950 -0.141 0.000 2.619 99 F HA 0.662 5.169 4.527 -0.034 0.000 0.308 99 F C -1.846 173.880 175.800 -0.123 0.000 1.097 99 F CA -0.967 56.974 58.000 -0.099 0.000 0.953 99 F CB 1.043 40.005 39.000 -0.064 0.000 1.287 99 F HN 0.214 nan 8.300 nan 0.000 0.446 100 L N 2.858 124.035 121.223 -0.078 0.000 2.343 100 L HA 0.402 4.722 4.340 -0.034 0.000 0.278 100 L C -0.628 176.285 176.870 0.072 0.000 0.996 100 L CA -0.644 54.048 54.840 -0.246 0.000 0.831 100 L CB 1.973 43.648 42.059 -0.640 0.000 1.232 100 L HN 0.846 nan 8.230 nan 0.000 0.413 101 E N 5.300 125.589 120.200 0.149 0.000 2.105 101 E HA 0.174 4.504 4.350 -0.034 0.000 0.285 101 E C -0.617 176.202 176.600 0.365 0.000 1.055 101 E CA -0.643 55.908 56.400 0.252 0.000 0.843 101 E CB 0.750 30.556 29.700 0.175 0.000 1.067 101 E HN 0.381 nan 8.360 nan 0.000 0.398 102 K N 5.147 125.786 120.400 0.397 0.000 2.485 102 K HA 0.080 4.380 4.320 -0.034 0.000 0.277 102 K C -2.240 174.522 176.600 0.271 0.000 0.990 102 K CA -1.094 55.377 56.287 0.307 0.000 0.994 102 K CB 0.271 32.871 32.500 0.166 0.000 0.906 102 K HN 0.438 nan 8.250 nan 0.000 0.488 103 P HA 0.242 nan 4.420 nan 0.000 0.284 103 P C -1.150 176.221 177.300 0.117 0.000 1.258 103 P CA -0.502 62.607 63.100 0.015 0.000 0.824 103 P CB 0.536 32.211 31.700 -0.042 0.000 1.038 104 F N -1.578 118.400 119.950 0.047 0.000 2.576 104 F HA 0.710 5.217 4.527 -0.034 0.000 0.313 104 F C 0.132 175.954 175.800 0.036 0.000 1.078 104 F CA -1.351 56.678 58.000 0.049 0.000 0.921 104 F CB 0.631 39.670 39.000 0.066 0.000 1.232 104 F HN 0.265 nan 8.300 nan 0.000 0.459 105 S N 0.639 116.480 115.700 0.235 0.000 2.608 105 S HA 0.256 4.705 4.470 -0.034 0.000 0.261 105 S C 0.757 175.507 174.600 0.250 0.000 1.314 105 S CA -0.353 57.938 58.200 0.152 0.000 0.992 105 S CB 1.371 64.643 63.200 0.121 0.000 0.935 105 S HN 0.662 nan 8.310 nan 0.000 0.564 106 V N 1.484 121.496 119.914 0.162 0.000 2.515 106 V HA -0.100 3.999 4.120 -0.034 0.000 0.250 106 V C 2.491 178.734 176.094 0.249 0.000 1.058 106 V CA 2.090 64.515 62.300 0.208 0.000 1.064 106 V CB -1.303 30.590 31.823 0.118 0.000 0.675 106 V HN 0.833 nan 8.190 nan 0.000 0.461 107 E N 0.096 120.395 120.200 0.165 0.000 2.072 107 E HA -0.185 4.144 4.350 -0.034 0.000 0.191 107 E C 2.282 178.945 176.600 0.106 0.000 0.985 107 E CA 0.961 57.432 56.400 0.118 0.000 0.801 107 E CB -0.374 29.372 29.700 0.076 0.000 0.750 107 E HN 0.359 nan 8.360 nan 0.000 0.452 108 R N 0.316 120.896 120.500 0.133 0.000 2.083 108 R HA -0.148 4.172 4.340 -0.034 0.000 0.237 108 R C 1.997 178.332 176.300 0.058 0.000 1.137 108 R CA 1.411 57.561 56.100 0.083 0.000 0.951 108 R CB -0.989 29.386 30.300 0.125 0.000 0.851 108 R HN 0.278 nan 8.270 nan 0.000 0.434 109 F N 0.400 120.368 119.950 0.029 0.000 2.069 109 F HA -0.116 4.390 4.527 -0.035 0.000 0.298 109 F C 1.769 177.555 175.800 -0.022 0.000 1.113 109 F CA 1.762 59.743 58.000 -0.031 0.000 1.214 109 F CB -0.390 38.716 39.000 0.176 0.000 0.978 109 F HN 0.046 nan 8.300 nan 0.000 0.474 110 L N -0.335 120.912 121.223 0.039 0.000 2.201 110 L HA -0.171 4.149 4.340 -0.034 0.000 0.212 110 L C 2.323 179.116 176.870 -0.129 0.000 1.105 110 L CA 0.608 55.415 54.840 -0.055 0.000 0.775 110 L CB -0.661 41.476 42.059 0.130 0.000 0.913 110 L HN 0.309 nan 8.230 nan 0.000 0.440 111 L N -0.758 120.380 121.223 -0.141 0.000 2.109 111 L HA -0.131 4.189 4.340 -0.034 0.000 0.207 111 L C 2.362 178.986 176.870 -0.411 0.000 1.086 111 L CA 1.955 56.634 54.840 -0.269 0.000 0.760 111 L CB -0.687 41.249 42.059 -0.204 0.000 0.910 111 L HN 0.065 nan 8.230 nan 0.000 0.437 112 T N 0.051 114.430 114.554 -0.292 0.000 2.821 112 T HA -0.063 4.267 4.350 -0.034 0.000 0.267 112 T C 1.979 176.561 174.700 -0.197 0.000 1.046 112 T CA 1.354 63.316 62.100 -0.229 0.000 1.139 112 T CB -0.123 68.591 68.868 -0.256 0.000 0.871 112 T HN 0.176 nan 8.240 nan 0.000 0.454 113 I N 1.345 121.715 120.570 -0.332 0.000 2.252 113 I HA -0.114 4.036 4.170 -0.034 0.000 0.245 113 I C 2.468 178.592 176.117 0.012 0.000 1.102 113 I CA 1.380 62.516 61.300 -0.274 0.000 1.385 113 I CB -0.843 36.873 38.000 -0.475 0.000 1.064 113 I HN 0.281 nan 8.210 nan 0.000 0.414 114 K N 0.571 120.975 120.400 0.007 0.000 2.020 114 K HA -0.231 4.069 4.320 -0.034 0.000 0.212 114 K C 2.154 178.884 176.600 0.217 0.000 1.050 114 K CA 1.801 58.164 56.287 0.127 0.000 0.929 114 K CB -0.221 32.276 32.500 -0.004 0.000 0.714 114 K HN 0.449 nan 8.250 nan 0.000 0.443 115 H N -0.886 118.251 119.070 0.112 0.000 2.353 115 H HA -0.082 4.454 4.556 -0.034 0.000 0.300 115 H C 2.054 177.455 175.328 0.122 0.000 1.090 115 H CA 0.683 56.813 56.048 0.136 0.000 1.327 115 H CB 0.042 29.896 29.762 0.155 0.000 1.383 115 H HN 0.387 nan 8.280 nan 0.000 0.508 116 A N 0.771 123.718 122.820 0.212 0.000 1.933 116 A HA -0.161 4.139 4.320 -0.034 0.000 0.218 116 A C 1.865 179.372 177.584 -0.129 0.000 1.175 116 A CA 1.241 53.265 52.037 -0.022 0.000 0.628 116 A CB -0.725 18.228 19.000 -0.077 0.000 0.814 116 A HN 0.286 nan 8.150 nan 0.000 0.444 117 F N 0.134 120.108 119.950 0.040 0.000 2.259 117 F HA -0.051 4.456 4.527 -0.032 0.000 0.298 117 F C 2.372 178.260 175.800 0.146 0.000 1.088 117 F CA 1.498 59.574 58.000 0.126 0.000 1.358 117 F CB -0.251 38.837 39.000 0.146 0.000 1.040 117 F HN 0.304 nan 8.300 nan 0.000 0.505 118 E N -0.107 120.254 120.200 0.269 0.000 2.058 118 E HA -0.286 4.043 4.350 -0.034 0.000 0.194 118 E C 2.039 178.667 176.600 0.047 0.000 0.997 118 E CA 1.563 58.057 56.400 0.158 0.000 0.801 118 E CB -0.170 29.620 29.700 0.149 0.000 0.746 118 E HN 0.285 nan 8.360 nan 0.000 0.450 119 E N 0.310 120.473 120.200 -0.062 0.000 2.077 119 E HA -0.221 4.109 4.350 -0.034 0.000 0.193 119 E C 1.830 178.368 176.600 -0.103 0.000 0.989 119 E CA 1.102 57.371 56.400 -0.218 0.000 0.800 119 E CB -0.354 28.932 29.700 -0.689 0.000 0.746 119 E HN 0.356 nan 8.360 nan 0.000 0.452 120 Y N 0.330 120.549 120.300 -0.136 0.000 2.145 120 Y HA -0.134 4.394 4.550 -0.035 0.000 0.286 120 Y C 2.190 178.108 175.900 0.029 0.000 1.145 120 Y CA 2.075 60.146 58.100 -0.047 0.000 1.148 120 Y CB -0.533 37.904 38.460 -0.039 0.000 0.981 120 Y HN 0.006 nan 8.280 nan 0.000 0.507 121 S N -0.132 115.484 115.700 -0.140 0.000 2.489 121 S HA 0.011 4.461 4.470 -0.034 0.000 0.228 121 S C 0.592 175.101 174.600 -0.153 0.000 0.995 121 S CA 0.276 58.346 58.200 -0.218 0.000 0.934 121 S CB -0.206 63.013 63.200 0.031 0.000 0.771 121 S HN 0.272 nan 8.310 nan 0.000 0.522 122 K N 2.367 122.706 120.400 -0.101 0.000 2.220 122 K HA 0.208 4.508 4.320 -0.034 0.000 0.283 122 K C -0.460 176.086 176.600 -0.090 0.000 1.098 122 K CA 0.210 56.453 56.287 -0.072 0.000 0.928 122 K CB 0.343 32.816 32.500 -0.045 0.000 1.214 122 K HN -0.060 nan 8.250 nan 0.000 0.442 123 K N 1.165 121.510 120.400 -0.092 0.000 2.469 123 K HA 0.463 4.763 4.320 -0.034 0.000 0.254 123 K C -0.986 175.579 176.600 -0.058 0.000 0.939 123 K CA -0.795 55.440 56.287 -0.086 0.000 0.812 123 K CB 2.275 34.701 32.500 -0.123 0.000 1.301 123 K HN 0.501 nan 8.250 nan 0.000 0.433 124 A N 2.474 125.266 122.820 -0.046 0.000 2.310 124 A HA 0.567 4.867 4.320 -0.034 0.000 0.299 124 A C -2.260 175.300 177.584 -0.040 0.000 1.147 124 A CA -1.457 50.560 52.037 -0.033 0.000 0.818 124 A CB 0.005 18.992 19.000 -0.022 0.000 1.096 124 A HN 0.307 nan 8.150 nan 0.000 0.495 125 P HA 0.159 nan 4.420 nan 0.000 0.257 125 P C -1.961 175.315 177.300 -0.040 0.000 1.227 125 P CA -0.666 62.413 63.100 -0.036 0.000 0.981 125 P CB 0.117 31.801 31.700 -0.027 0.000 1.044 126 P HA -0.188 nan 4.420 nan 0.000 0.217 126 P C 0.308 177.577 177.300 -0.051 0.000 1.148 126 P CA 1.103 64.172 63.100 -0.050 0.000 0.828 126 P CB -0.169 31.499 31.700 -0.053 0.000 0.783 127 Q N 1.763 121.535 119.800 -0.046 0.000 2.311 127 Q HA 0.087 4.407 4.340 -0.034 0.000 0.272 127 Q C -0.373 175.599 176.000 -0.048 0.000 1.012 127 Q CA 0.093 55.868 55.803 -0.045 0.000 0.891 127 Q CB -0.118 28.597 28.738 -0.038 0.000 1.201 127 Q HN 0.303 nan 8.270 nan 0.000 0.391 128 E N 1.612 121.779 120.200 -0.055 0.000 2.782 128 E HA 0.216 4.545 4.350 -0.034 0.000 0.372 128 E C -1.601 174.954 176.600 -0.074 0.000 0.944 128 E CA -0.429 55.932 56.400 -0.064 0.000 0.749 128 E CB 0.675 30.331 29.700 -0.073 0.000 1.453 128 E HN 0.674 nan 8.360 nan 0.000 0.402 129 E N 3.674 123.837 120.200 -0.063 0.000 2.224 129 E HA 0.424 4.753 4.350 -0.034 0.000 0.265 129 E C -0.664 175.901 176.600 -0.057 0.000 0.878 129 E CA -0.886 55.478 56.400 -0.060 0.000 0.759 129 E CB 2.085 31.759 29.700 -0.042 0.000 1.164 129 E HN 0.482 nan 8.360 nan 0.000 0.414 130 I N 2.905 123.434 120.570 -0.069 0.000 2.339 130 I HA 0.191 4.341 4.170 -0.034 0.000 0.290 130 I C 0.172 176.266 176.117 -0.038 0.000 0.994 130 I CA -0.699 60.560 61.300 -0.068 0.000 1.191 130 I CB 1.119 39.052 38.000 -0.111 0.000 1.343 130 I HN 0.190 nan 8.210 nan 0.000 0.458 131 E N 6.882 127.061 120.200 -0.035 0.000 2.152 131 E HA 0.224 4.554 4.350 -0.034 0.000 0.285 131 E C -1.078 175.500 176.600 -0.036 0.000 1.043 131 E CA -0.084 56.268 56.400 -0.081 0.000 0.839 131 E CB 1.752 31.367 29.700 -0.141 0.000 1.069 131 E HN 0.501 nan 8.360 nan 0.000 0.399 132 F N 4.059 123.876 119.950 -0.221 0.000 2.443 132 F HA 0.222 4.728 4.527 -0.034 0.000 0.369 132 F C -0.652 175.002 175.800 -0.243 0.000 1.090 132 F CA -0.934 56.947 58.000 -0.198 0.000 1.129 132 F CB 0.726 39.654 39.000 -0.120 0.000 1.367 132 F HN 0.077 nan 8.300 nan 0.000 0.465 133 V N 4.652 124.387 119.914 -0.300 0.000 2.461 133 V HA 0.795 4.894 4.120 -0.034 0.000 0.275 133 V C 0.245 176.081 176.094 -0.430 0.000 1.047 133 V CA -0.010 62.028 62.300 -0.437 0.000 0.955 133 V CB 0.936 32.395 31.823 -0.606 0.000 0.988 133 V HN 0.875 nan 8.190 nan 0.000 0.471 134 G N 3.946 112.508 108.800 -0.397 0.000 2.380 134 G HA2 0.377 4.317 3.960 -0.034 0.000 0.305 134 G HA3 0.377 4.317 3.960 -0.034 0.000 0.305 134 G C -0.559 174.188 174.900 -0.254 0.000 1.672 134 G CA -0.432 44.475 45.100 -0.322 0.000 0.904 134 G HN 0.451 nan 8.290 nan 0.000 0.686 135 E N 0.480 120.592 120.200 -0.147 0.000 2.601 135 E HA 0.056 4.386 4.350 -0.034 0.000 0.219 135 E C 0.547 177.104 176.600 -0.072 0.000 0.964 135 E CA -0.418 55.914 56.400 -0.114 0.000 1.050 135 E CB 0.281 29.925 29.700 -0.094 0.000 1.068 135 E HN 0.655 nan 8.360 nan 0.000 0.496 136 H N 2.203 121.203 119.070 -0.115 0.000 2.897 136 H HA 0.023 4.559 4.556 -0.034 0.000 0.347 136 H C -1.643 173.642 175.328 -0.073 0.000 1.068 136 H CA -1.090 54.912 56.048 -0.077 0.000 1.426 136 H CB 1.518 31.243 29.762 -0.062 0.000 1.410 136 H HN -0.221 nan 8.280 nan 0.000 0.597 137 P HA -0.138 nan 4.420 nan 0.000 0.217 137 P C 1.068 178.369 177.300 0.002 0.000 1.148 137 P CA 1.753 64.732 63.100 -0.201 0.000 0.828 137 P CB 0.250 31.783 31.700 -0.279 0.000 0.783 138 K N -1.090 119.459 120.400 0.249 0.000 2.097 138 K HA -0.061 4.239 4.320 -0.034 0.000 0.205 138 K C 1.873 178.535 176.600 0.104 0.000 1.050 138 K CA 0.995 57.406 56.287 0.207 0.000 0.938 138 K CB -0.358 32.292 32.500 0.249 0.000 0.718 138 K HN 0.087 nan 8.250 nan 0.000 0.442 139 I N 1.131 121.742 120.570 0.068 0.000 2.333 139 I HA -0.181 3.969 4.170 -0.034 0.000 0.246 139 I C 2.112 178.162 176.117 -0.111 0.000 1.106 139 I CA 1.234 62.494 61.300 -0.067 0.000 1.411 139 I CB -0.916 36.967 38.000 -0.196 0.000 1.082 139 I HN 0.168 nan 8.210 nan 0.000 0.420 140 L N 0.504 121.671 121.223 -0.093 0.000 2.079 140 L HA -0.247 4.073 4.340 -0.034 0.000 0.210 140 L C 2.552 179.390 176.870 -0.052 0.000 1.081 140 L CA 1.632 56.417 54.840 -0.092 0.000 0.752 140 L CB -0.567 41.439 42.059 -0.088 0.000 0.896 140 L HN 0.338 nan 8.230 nan 0.000 0.433 141 E N 0.832 121.019 120.200 -0.021 0.000 2.077 141 E HA -0.223 4.107 4.350 -0.034 0.000 0.193 141 E C 2.294 178.898 176.600 0.006 0.000 0.989 141 E CA 1.095 57.493 56.400 -0.004 0.000 0.800 141 E CB -0.030 29.682 29.700 0.020 0.000 0.746 141 E HN 0.453 nan 8.360 nan 0.000 0.452 142 I N 0.824 121.414 120.570 0.033 0.000 2.226 142 I HA -0.272 3.878 4.170 -0.034 0.000 0.245 142 I C 2.427 178.579 176.117 0.059 0.000 1.100 142 I CA 1.204 62.546 61.300 0.070 0.000 1.374 142 I CB -0.134 37.956 38.000 0.151 0.000 1.057 142 I HN 0.065 nan 8.210 nan 0.000 0.413 143 K N 0.324 120.751 120.400 0.045 0.000 2.097 143 K HA -0.145 4.155 4.320 -0.034 0.000 0.206 143 K C 2.253 178.807 176.600 -0.076 0.000 1.049 143 K CA 1.218 57.514 56.287 0.015 0.000 0.933 143 K CB -0.088 32.390 32.500 -0.036 0.000 0.717 143 K HN 0.282 nan 8.250 nan 0.000 0.442 144 R N 0.292 120.749 120.500 -0.072 0.000 2.090 144 R HA -0.074 4.246 4.340 -0.034 0.000 0.228 144 R C 2.274 178.505 176.300 -0.115 0.000 1.110 144 R CA 0.684 56.728 56.100 -0.093 0.000 0.973 144 R CB -0.288 29.974 30.300 -0.064 0.000 0.869 144 R HN 0.081 nan 8.270 nan 0.000 0.440 145 L N 1.407 122.576 121.223 -0.089 0.000 1.994 145 L HA -0.138 4.181 4.340 -0.034 0.000 0.208 145 L C 1.984 178.751 176.870 -0.172 0.000 1.071 145 L CA 1.593 56.370 54.840 -0.105 0.000 0.745 145 L CB -0.451 41.573 42.059 -0.058 0.000 0.892 145 L HN 0.107 nan 8.230 nan 0.000 0.431 146 I N -0.092 120.372 120.570 -0.175 0.000 2.113 146 I HA -0.334 3.816 4.170 -0.034 0.000 0.242 146 I C -0.338 175.580 176.117 -0.332 0.000 1.057 146 I CA 2.004 63.166 61.300 -0.229 0.000 1.314 146 I CB -1.550 36.326 38.000 -0.207 0.000 1.022 146 I HN 0.295 nan 8.210 nan 0.000 0.408 147 P HA -0.157 nan 4.420 nan 0.000 0.217 147 P C 1.237 178.401 177.300 -0.226 0.000 1.150 147 P CA 1.542 64.360 63.100 -0.469 0.000 0.832 147 P CB -0.027 31.382 31.700 -0.485 0.000 0.787 148 K N -0.370 119.903 120.400 -0.212 0.000 1.984 148 K HA -0.035 4.265 4.320 -0.034 0.000 0.209 148 K C 2.164 178.611 176.600 -0.254 0.000 1.046 148 K CA 1.176 57.357 56.287 -0.177 0.000 0.934 148 K CB -0.846 31.564 32.500 -0.149 0.000 0.717 148 K HN 0.089 nan 8.250 nan 0.000 0.438 149 I N 1.669 122.004 120.570 -0.391 0.000 2.236 149 I HA -0.357 3.793 4.170 -0.034 0.000 0.249 149 I C 2.571 178.464 176.117 -0.374 0.000 1.102 149 I CA 1.301 62.205 61.300 -0.659 0.000 1.365 149 I CB -0.517 37.147 38.000 -0.560 0.000 1.051 149 I HN 0.244 nan 8.210 nan 0.000 0.420 150 A N 0.833 123.534 122.820 -0.198 0.000 1.877 150 A HA -0.218 4.082 4.320 -0.034 0.000 0.216 150 A C 2.259 179.828 177.584 -0.026 0.000 1.186 150 A CA 1.559 53.557 52.037 -0.066 0.000 0.620 150 A CB -0.456 18.549 19.000 0.008 0.000 0.822 150 A HN 0.348 nan 8.150 nan 0.000 0.443 151 K N 0.289 120.670 120.400 -0.032 0.000 2.360 151 K HA -0.034 4.265 4.320 -0.034 0.000 0.201 151 K C 1.110 177.727 176.600 0.028 0.000 1.046 151 K CA 0.694 56.982 56.287 0.003 0.000 0.945 151 K CB -0.178 32.322 32.500 -0.000 0.000 0.750 151 K HN 0.417 nan 8.250 nan 0.000 0.464 152 S N 0.687 116.410 115.700 0.039 0.000 2.645 152 S HA 0.083 4.533 4.470 -0.034 0.000 0.266 152 S C 0.753 175.426 174.600 0.121 0.000 1.258 152 S CA -0.466 57.803 58.200 0.115 0.000 0.990 152 S CB 1.361 64.715 63.200 0.258 0.000 0.967 152 S HN 0.130 nan 8.310 nan 0.000 0.556 153 K N 0.861 121.337 120.400 0.127 0.000 2.358 153 K HA 0.317 4.617 4.320 -0.034 0.000 0.197 153 K C 0.424 177.097 176.600 0.121 0.000 1.025 153 K CA -0.083 56.267 56.287 0.106 0.000 1.104 153 K CB 0.034 32.579 32.500 0.074 0.000 0.855 153 K HN 0.698 nan 8.250 nan 0.000 0.531 154 A N 2.863 125.784 122.820 0.169 0.000 2.462 154 A HA 0.270 4.570 4.320 -0.034 0.000 0.243 154 A C -2.434 175.262 177.584 0.186 0.000 1.076 154 A CA -1.057 51.060 52.037 0.132 0.000 0.773 154 A CB -0.049 18.977 19.000 0.042 0.000 1.010 154 A HN 0.076 nan 8.150 nan 0.000 0.493 155 P HA 0.292 nan 4.420 nan 0.000 0.269 155 P C -0.874 176.520 177.300 0.157 0.000 1.209 155 P CA -0.043 63.123 63.100 0.110 0.000 0.776 155 P CB 0.721 32.455 31.700 0.056 0.000 0.876 156 V N 3.582 123.591 119.914 0.159 0.000 2.495 156 V HA 0.388 4.488 4.120 -0.034 0.000 0.298 156 V C -0.193 175.979 176.094 0.130 0.000 1.031 156 V CA -0.675 61.732 62.300 0.178 0.000 0.871 156 V CB 1.620 33.542 31.823 0.166 0.000 0.988 156 V HN 0.341 nan 8.190 nan 0.000 0.432 157 L N 6.456 127.742 121.223 0.106 0.000 2.305 157 L HA 0.668 4.988 4.340 -0.034 0.000 0.284 157 L C -0.660 176.276 176.870 0.110 0.000 1.013 157 L CA 0.150 55.040 54.840 0.084 0.000 0.819 157 L CB 1.077 43.147 42.059 0.018 0.000 1.227 157 L HN 0.567 nan 8.230 nan 0.000 0.417 158 I N 4.658 125.303 120.570 0.125 0.000 2.355 158 I HA 0.368 4.518 4.170 -0.034 0.000 0.288 158 I C -0.258 175.925 176.117 0.111 0.000 0.999 158 I CA -0.355 61.017 61.300 0.120 0.000 1.163 158 I CB 1.592 39.669 38.000 0.129 0.000 1.316 158 I HN 0.536 nan 8.210 nan 0.000 0.454 159 T N 4.305 118.933 114.554 0.123 0.000 2.859 159 T HA 0.809 5.139 4.350 -0.034 0.000 0.281 159 T C 0.117 174.854 174.700 0.062 0.000 1.005 159 T CA -0.669 61.514 62.100 0.138 0.000 1.025 159 T CB 1.917 70.926 68.868 0.235 0.000 0.977 159 T HN 0.952 nan 8.240 nan 0.000 0.458 160 G N 1.534 110.358 108.800 0.040 0.000 2.340 160 G HA2 0.376 4.316 3.960 -0.034 0.000 0.298 160 G HA3 0.376 4.316 3.960 -0.034 0.000 0.298 160 G C -1.366 173.538 174.900 0.006 0.000 1.498 160 G CA -0.915 44.149 45.100 -0.060 0.000 0.847 160 G HN 0.611 nan 8.290 nan 0.000 0.594 161 E N 0.087 120.289 120.200 0.003 0.000 2.410 161 E HA 0.353 4.682 4.350 -0.034 0.000 0.255 161 E C 0.550 177.168 176.600 0.031 0.000 1.194 161 E CA -0.025 56.393 56.400 0.031 0.000 0.955 161 E CB 0.507 30.231 29.700 0.040 0.000 0.988 161 E HN 0.318 nan 8.360 nan 0.000 0.461 162 S N 0.185 115.909 115.700 0.040 0.000 2.546 162 S HA 0.217 4.667 4.470 -0.034 0.000 0.290 162 S C 0.874 175.502 174.600 0.047 0.000 1.290 162 S CA 0.883 59.109 58.200 0.044 0.000 1.069 162 S CB 0.304 63.531 63.200 0.044 0.000 0.846 162 S HN 0.791 nan 8.310 nan 0.000 0.495 163 G N 2.573 111.402 108.800 0.049 0.000 2.136 163 G HA2 -0.281 3.659 3.960 -0.034 0.000 0.242 163 G HA3 -0.281 3.659 3.960 -0.034 0.000 0.242 163 G C 0.590 175.515 174.900 0.041 0.000 0.989 163 G CA 0.544 45.673 45.100 0.048 0.000 0.682 163 G HN 0.932 nan 8.290 nan 0.000 0.522 164 T N -2.241 112.330 114.554 0.030 0.000 3.129 164 T HA 0.455 4.784 4.350 -0.034 0.000 0.251 164 T C 1.978 176.693 174.700 0.025 0.000 1.117 164 T CA 1.232 63.341 62.100 0.015 0.000 1.034 164 T CB 0.526 69.379 68.868 -0.025 0.000 0.968 164 T HN 2.156 nan 8.240 nan 0.000 0.526 165 G N 1.560 110.372 108.800 0.020 0.000 2.141 165 G HA2 -0.216 3.724 3.960 -0.034 0.000 0.195 165 G HA3 -0.216 3.724 3.960 -0.034 0.000 0.195 165 G C 0.609 175.451 174.900 -0.097 0.000 1.012 165 G CA 0.140 45.227 45.100 -0.022 0.000 0.696 165 G HN 0.494 nan 8.290 nan 0.000 0.508 166 K N -0.218 120.166 120.400 -0.027 0.000 2.057 166 K HA -0.038 4.262 4.320 -0.034 0.000 0.206 166 K C 2.075 178.591 176.600 -0.139 0.000 1.050 166 K CA 1.435 57.717 56.287 -0.009 0.000 0.935 166 K CB -0.048 32.539 32.500 0.145 0.000 0.715 166 K HN 0.514 nan 8.250 nan 0.000 0.439 167 E N 1.155 121.276 120.200 -0.132 0.000 2.153 167 E HA -0.167 4.163 4.350 -0.034 0.000 0.194 167 E C 1.915 178.265 176.600 -0.417 0.000 0.988 167 E CA 0.728 56.888 56.400 -0.399 0.000 0.811 167 E CB 0.065 29.710 29.700 -0.091 0.000 0.746 167 E HN 0.238 nan 8.360 nan 0.000 0.466 168 I N 0.364 120.745 120.570 -0.314 0.000 2.113 168 I HA -0.272 3.878 4.170 -0.034 0.000 0.238 168 I C 2.363 178.203 176.117 -0.462 0.000 1.070 168 I CA 0.903 61.982 61.300 -0.368 0.000 1.332 168 I CB -0.311 37.484 38.000 -0.341 0.000 1.044 168 I HN 0.085 nan 8.210 nan 0.000 0.402 169 V N 1.308 120.907 119.914 -0.525 0.000 2.324 169 V HA -0.353 3.747 4.120 -0.034 0.000 0.250 169 V C 2.699 178.625 176.094 -0.280 0.000 1.060 169 V CA 2.101 64.122 62.300 -0.465 0.000 1.042 169 V CB -1.136 30.466 31.823 -0.368 0.000 0.650 169 V HN 0.536 nan 8.190 nan 0.000 0.450 170 A N -0.233 122.405 122.820 -0.304 0.000 1.933 170 A HA -0.213 4.087 4.320 -0.034 0.000 0.218 170 A C 2.388 179.894 177.584 -0.130 0.000 1.175 170 A CA 1.780 53.694 52.037 -0.205 0.000 0.628 170 A CB -0.440 18.257 19.000 -0.505 0.000 0.814 170 A HN 0.542 nan 8.150 nan 0.000 0.444 171 R N -0.655 119.588 120.500 -0.428 0.000 2.073 171 R HA 0.066 4.386 4.340 -0.034 0.000 0.229 171 R C 2.039 178.223 176.300 -0.192 0.000 1.120 171 R CA 1.133 56.910 56.100 -0.538 0.000 0.967 171 R CB -0.488 29.381 30.300 -0.719 0.000 0.862 171 R HN 0.474 nan 8.270 nan 0.000 0.436 172 L N 0.619 121.744 121.223 -0.164 0.000 2.042 172 L HA -0.227 4.093 4.340 -0.034 0.000 0.210 172 L C 2.379 179.339 176.870 0.151 0.000 1.076 172 L CA 1.428 56.268 54.840 0.000 0.000 0.749 172 L CB -0.382 41.670 42.059 -0.011 0.000 0.893 172 L HN 0.208 nan 8.230 nan 0.000 0.432 173 I N -1.194 119.418 120.570 0.070 0.000 2.202 173 I HA -0.326 3.824 4.170 -0.034 0.000 0.242 173 I C 2.611 178.808 176.117 0.135 0.000 1.091 173 I CA 1.305 62.663 61.300 0.097 0.000 1.368 173 I CB -0.429 37.602 38.000 0.052 0.000 1.058 173 I HN 0.306 nan 8.210 nan 0.000 0.410 174 H N 1.374 120.486 119.070 0.071 0.000 2.289 174 H HA -0.263 4.273 4.556 -0.033 0.000 0.296 174 H C 2.282 177.630 175.328 0.033 0.000 1.091 174 H CA 2.370 58.477 56.048 0.098 0.000 1.274 174 H CB -0.107 29.786 29.762 0.218 0.000 1.364 174 H HN 0.068 nan 8.280 nan 0.000 0.490 175 R N -0.297 120.130 120.500 -0.122 0.000 2.103 175 R HA -0.202 4.118 4.340 -0.034 0.000 0.234 175 R C 2.003 178.154 176.300 -0.247 0.000 1.132 175 R CA 2.261 58.206 56.100 -0.258 0.000 0.925 175 R CB -1.342 28.802 30.300 -0.260 0.000 0.842 175 R HN 0.480 nan 8.270 nan 0.000 0.430 176 Y N 0.802 121.032 120.300 -0.117 0.000 2.483 176 Y HA -0.118 4.412 4.550 -0.033 0.000 0.291 176 Y C 2.581 178.424 175.900 -0.096 0.000 1.143 176 Y CA 1.397 59.440 58.100 -0.095 0.000 1.289 176 Y CB -0.211 38.203 38.460 -0.077 0.000 0.983 176 Y HN 0.387 nan 8.280 nan 0.000 0.556 177 S N -1.243 114.467 115.700 0.017 0.000 2.428 177 S HA 0.078 4.528 4.470 -0.034 0.000 0.230 177 S C 2.119 176.691 174.600 -0.046 0.000 1.014 177 S CA 0.875 59.072 58.200 -0.005 0.000 0.957 177 S CB -0.399 62.805 63.200 0.007 0.000 0.784 177 S HN 0.599 nan 8.310 nan 0.000 0.499 178 G N 1.310 110.038 108.800 -0.120 0.000 2.199 178 G HA2 -0.278 3.662 3.960 -0.034 0.000 0.254 178 G HA3 -0.278 3.662 3.960 -0.034 0.000 0.254 178 G C 0.195 175.030 174.900 -0.107 0.000 0.982 178 G CA 0.059 45.093 45.100 -0.110 0.000 0.632 178 G HN 0.653 nan 8.290 nan 0.000 0.529 179 R N 0.163 120.595 120.500 -0.113 0.000 2.638 179 R HA 0.247 4.567 4.340 -0.034 0.000 0.268 179 R C 1.166 177.451 176.300 -0.024 0.000 1.006 179 R CA 0.432 56.513 56.100 -0.032 0.000 1.088 179 R CB 0.392 30.726 30.300 0.058 0.000 0.950 179 R HN 0.071 nan 8.270 nan 0.000 0.419 180 K N 1.450 121.870 120.400 0.034 0.000 2.323 180 K HA 0.056 4.356 4.320 -0.034 0.000 0.197 180 K C 1.219 177.872 176.600 0.089 0.000 1.043 180 K CA 0.473 56.784 56.287 0.041 0.000 0.997 180 K CB 0.311 32.826 32.500 0.025 0.000 0.807 180 K HN 0.741 nan 8.250 nan 0.000 0.497 181 G N 1.113 109.984 108.800 0.117 0.000 2.570 181 G HA2 0.365 4.305 3.960 -0.034 0.000 0.276 181 G HA3 0.365 4.305 3.960 -0.034 0.000 0.276 181 G C -0.405 174.589 174.900 0.156 0.000 1.346 181 G CA -0.084 45.082 45.100 0.111 0.000 1.034 181 G HN 0.244 nan 8.290 nan 0.000 0.512 182 A N -1.181 121.682 122.820 0.071 0.000 2.304 182 A HA 0.556 4.856 4.320 -0.034 0.000 0.271 182 A C -0.722 176.796 177.584 -0.110 0.000 1.091 182 A CA -0.516 51.539 52.037 0.030 0.000 0.812 182 A CB 0.501 19.506 19.000 0.009 0.000 1.056 182 A HN 0.695 nan 8.150 nan 0.000 0.489 183 F N 2.540 122.289 119.950 -0.334 0.000 2.421 183 F HA 0.494 5.001 4.527 -0.034 0.000 0.358 183 F C -0.421 175.270 175.800 -0.182 0.000 1.115 183 F CA -0.187 57.541 58.000 -0.454 0.000 1.160 183 F CB 0.824 39.537 39.000 -0.479 0.000 1.123 183 F HN 0.195 nan 8.300 nan 0.000 0.508 184 V N 6.480 126.044 119.914 -0.584 0.000 2.350 184 V HA 0.171 4.271 4.120 -0.034 0.000 0.285 184 V C -0.438 175.435 176.094 -0.369 0.000 1.014 184 V CA -0.823 61.281 62.300 -0.327 0.000 0.831 184 V CB 1.210 32.905 31.823 -0.214 0.000 1.000 184 V HN 0.605 nan 8.190 nan 0.000 0.433 185 D N 4.369 124.679 120.400 -0.150 0.000 2.277 185 D HA 0.355 4.975 4.640 -0.034 0.000 0.249 185 D C -0.906 175.374 176.300 -0.034 0.000 1.134 185 D CA -0.229 53.777 54.000 0.010 0.000 0.863 185 D CB 1.820 42.752 40.800 0.220 0.000 1.143 185 D HN 0.364 nan 8.370 nan 0.000 0.458 186 L N 4.997 126.163 121.223 -0.096 0.000 2.372 186 L HA 0.321 4.641 4.340 -0.034 0.000 0.273 186 L C -0.866 175.922 176.870 -0.137 0.000 0.989 186 L CA -0.728 54.047 54.840 -0.108 0.000 0.841 186 L CB 1.302 43.282 42.059 -0.133 0.000 1.225 186 L HN 0.181 nan 8.230 nan 0.000 0.414 187 N N 4.056 122.712 118.700 -0.074 0.000 2.448 187 N HA 0.059 4.779 4.740 -0.034 0.000 0.250 187 N C 0.639 176.111 175.510 -0.063 0.000 1.136 187 N CA -0.080 52.928 53.050 -0.070 0.000 0.953 187 N CB 0.581 39.059 38.487 -0.015 0.000 1.251 187 N HN 0.793 nan 8.380 nan 0.000 0.502 188 C N 2.362 121.611 119.300 -0.084 0.000 2.466 188 C HA 0.055 4.494 4.460 -0.034 0.000 0.283 188 C C 2.102 177.075 174.990 -0.028 0.000 1.472 188 C CA 0.740 59.726 59.018 -0.053 0.000 1.765 188 C CB -1.770 25.940 27.740 -0.051 0.000 1.724 188 C HN 0.810 nan 8.230 nan 0.000 0.560 189 A N -0.069 122.735 122.820 -0.026 0.000 1.909 189 A HA 0.020 4.320 4.320 -0.034 0.000 0.210 189 A C 2.213 179.792 177.584 -0.008 0.000 1.273 189 A CA 1.139 53.169 52.037 -0.011 0.000 0.654 189 A CB -1.204 17.792 19.000 -0.007 0.000 0.945 189 A HN 0.391 nan 8.150 nan 0.000 0.471 190 S N -0.475 115.221 115.700 -0.006 0.000 2.407 190 S HA -0.117 4.333 4.470 -0.034 0.000 0.235 190 S C 0.810 175.406 174.600 -0.006 0.000 1.036 190 S CA 0.860 59.059 58.200 -0.002 0.000 1.013 190 S CB -0.519 62.684 63.200 0.004 0.000 0.820 190 S HN 0.277 nan 8.310 nan 0.000 0.476 191 I N 2.845 123.408 120.570 -0.011 0.000 2.441 191 I HA 0.312 4.462 4.170 -0.034 0.000 0.287 191 I C -2.207 173.900 176.117 -0.017 0.000 1.049 191 I CA -2.522 58.769 61.300 -0.014 0.000 1.381 191 I CB 0.546 38.536 38.000 -0.017 0.000 1.409 191 I HN 0.124 nan 8.210 nan 0.000 0.523 192 P HA 0.002 nan 4.420 nan 0.000 0.266 192 P C 0.605 177.888 177.300 -0.028 0.000 1.195 192 P CA -0.144 62.940 63.100 -0.026 0.000 0.768 192 P CB 0.292 31.971 31.700 -0.036 0.000 0.838 193 Q N 1.758 121.544 119.800 -0.024 0.000 2.290 193 Q HA -0.278 4.042 4.340 -0.034 0.000 0.211 193 Q C 1.102 177.083 176.000 -0.031 0.000 0.991 193 Q CA 1.720 57.510 55.803 -0.022 0.000 0.893 193 Q CB -0.508 28.219 28.738 -0.019 0.000 0.913 193 Q HN 0.530 nan 8.270 nan 0.000 0.428 194 E N 0.621 120.793 120.200 -0.047 0.000 2.016 194 E HA -0.107 4.223 4.350 -0.034 0.000 0.190 194 E C 1.848 178.404 176.600 -0.073 0.000 0.985 194 E CA 0.998 57.357 56.400 -0.069 0.000 0.802 194 E CB -0.028 29.612 29.700 -0.099 0.000 0.762 194 E HN 0.287 nan 8.360 nan 0.000 0.448 195 L N 1.232 122.410 121.223 -0.075 0.000 2.447 195 L HA -0.155 4.165 4.340 -0.034 0.000 0.225 195 L C 2.145 179.009 176.870 -0.011 0.000 1.148 195 L CA 1.036 55.841 54.840 -0.058 0.000 0.808 195 L CB -0.957 41.072 42.059 -0.050 0.000 0.928 195 L HN 0.086 nan 8.230 nan 0.000 0.448 196 A N 0.030 122.845 122.820 -0.009 0.000 1.863 196 A HA -0.368 3.932 4.320 -0.034 0.000 0.218 196 A C 2.386 180.007 177.584 0.062 0.000 1.233 196 A CA 2.358 54.404 52.037 0.014 0.000 0.655 196 A CB -0.841 18.163 19.000 0.007 0.000 0.839 196 A HN 0.494 nan 8.150 nan 0.000 0.454 197 E N -1.068 119.170 120.200 0.063 0.000 2.153 197 E HA -0.143 4.186 4.350 -0.034 0.000 0.194 197 E C 2.188 178.910 176.600 0.204 0.000 0.988 197 E CA 1.107 57.581 56.400 0.123 0.000 0.811 197 E CB -0.125 29.570 29.700 -0.007 0.000 0.746 197 E HN 0.569 nan 8.360 nan 0.000 0.466 198 S N -0.179 115.598 115.700 0.128 0.000 2.371 198 S HA -0.115 4.335 4.470 -0.034 0.000 0.224 198 S C 1.737 176.425 174.600 0.146 0.000 1.029 198 S CA 0.773 59.077 58.200 0.173 0.000 0.978 198 S CB -0.111 63.168 63.200 0.131 0.000 0.833 198 S HN 0.262 nan 8.310 nan 0.000 0.466 199 E N 1.232 121.480 120.200 0.081 0.000 2.085 199 E HA -0.098 4.232 4.350 -0.034 0.000 0.194 199 E C 2.146 178.740 176.600 -0.010 0.000 0.994 199 E CA 0.858 57.276 56.400 0.029 0.000 0.801 199 E CB -0.501 29.199 29.700 0.001 0.000 0.743 199 E HN 0.478 nan 8.360 nan 0.000 0.453 200 L N -0.771 120.450 121.223 -0.003 0.000 2.005 200 L HA -0.135 4.185 4.340 -0.034 0.000 0.207 200 L C 2.260 178.914 176.870 -0.361 0.000 1.072 200 L CA 1.321 56.039 54.840 -0.205 0.000 0.744 200 L CB -0.248 41.683 42.059 -0.214 0.000 0.895 200 L HN 0.093 nan 8.230 nan 0.000 0.433 201 F N -1.020 118.888 119.950 -0.070 0.000 2.678 201 F HA 0.305 4.812 4.527 -0.033 0.000 0.291 201 F C 1.444 177.335 175.800 0.151 0.000 1.123 201 F CA 0.415 58.417 58.000 0.003 0.000 1.395 201 F CB 0.052 39.097 39.000 0.075 0.000 1.121 201 F HN 0.158 nan 8.300 nan 0.000 0.592 202 G N 0.638 109.584 108.800 0.243 0.000 2.796 202 G HA2 -0.101 3.839 3.960 -0.034 0.000 0.571 202 G HA3 -0.101 3.839 3.960 -0.034 0.000 0.571 202 G C -0.885 174.126 174.900 0.185 0.000 1.370 202 G CA -0.295 44.876 45.100 0.118 0.000 0.856 202 G HN 0.676 nan 8.290 nan 0.000 0.538 203 H N -1.808 117.359 119.070 0.163 0.000 2.928 203 H HA 0.734 5.270 4.556 -0.033 0.000 0.285 203 H C 0.348 175.729 175.328 0.089 0.000 1.438 203 H CA -0.011 56.117 56.048 0.134 0.000 1.176 203 H CB 1.084 30.943 29.762 0.162 0.000 1.864 203 H HN 0.642 nan 8.280 nan 0.000 0.567 204 E N 0.632 121.028 120.200 0.326 0.000 3.863 204 E HA 0.142 4.472 4.350 -0.034 0.000 0.197 204 E C -0.172 176.517 176.600 0.148 0.000 1.299 204 E CA -0.410 56.110 56.400 0.199 0.000 1.522 204 E CB 1.292 31.049 29.700 0.095 0.000 1.732 204 E HN 0.351 nan 8.360 nan 0.000 0.560 205 K N 0.958 121.396 120.400 0.063 0.000 2.483 205 K HA 0.343 4.643 4.320 -0.034 0.000 0.256 205 K C 0.120 176.678 176.600 -0.069 0.000 0.961 205 K CA 0.268 56.551 56.287 -0.007 0.000 0.873 205 K CB 1.319 33.818 32.500 -0.002 0.000 1.107 205 K HN 0.408 nan 8.250 nan 0.000 0.432 206 G N 3.424 112.133 108.800 -0.152 0.000 2.361 206 G HA2 -0.381 3.559 3.960 -0.034 0.000 0.294 206 G HA3 -0.381 3.559 3.960 -0.034 0.000 0.294 206 G C 0.750 175.540 174.900 -0.183 0.000 1.004 206 G CA 0.874 45.852 45.100 -0.202 0.000 0.870 206 G HN 0.830 nan 8.290 nan 0.000 0.510 207 A N 0.194 122.902 122.820 -0.187 0.000 1.827 207 A HA 0.380 4.679 4.320 -0.034 0.000 0.215 207 A C 1.311 178.864 177.584 -0.052 0.000 1.212 207 A CA 1.640 53.631 52.037 -0.076 0.000 0.624 207 A CB -0.526 18.477 19.000 0.005 0.000 0.853 207 A HN 1.593 nan 8.150 nan 0.000 0.450 208 F N 0.011 119.894 119.950 -0.112 0.000 2.368 208 F HA 0.494 5.000 4.527 -0.034 0.000 0.308 208 F C 0.978 176.729 175.800 -0.082 0.000 1.198 208 F CA -0.334 57.613 58.000 -0.087 0.000 1.130 208 F CB -0.648 38.299 39.000 -0.089 0.000 1.300 208 F HN 0.228 nan 8.300 nan 0.000 0.537 209 T N -0.335 114.257 114.554 0.064 0.000 2.561 209 T HA 0.288 4.617 4.350 -0.034 0.000 0.245 209 T C 1.027 175.557 174.700 -0.284 0.000 1.071 209 T CA 0.326 62.395 62.100 -0.052 0.000 1.368 209 T CB -1.105 67.826 68.868 0.105 0.000 1.061 209 T HN 2.058 nan 8.240 nan 0.000 0.511 210 G N 2.390 111.006 108.800 -0.307 0.000 2.162 210 G HA2 -0.100 3.840 3.960 -0.034 0.000 0.260 210 G HA3 -0.100 3.840 3.960 -0.034 0.000 0.260 210 G C 0.413 175.100 174.900 -0.356 0.000 0.976 210 G CA -0.216 44.729 45.100 -0.259 0.000 0.655 210 G HN 1.815 nan 8.290 nan 0.000 0.533 211 A N 0.564 122.968 122.820 -0.694 0.000 3.026 211 A HA 0.589 4.889 4.320 -0.034 0.000 0.272 211 A C 1.559 178.962 177.584 -0.302 0.000 1.782 211 A CA 0.721 52.384 52.037 -0.624 0.000 1.451 211 A CB -0.584 17.643 19.000 -1.288 0.000 1.081 211 A HN 1.538 nan 8.150 nan 0.000 0.611 212 L N 0.811 121.944 121.223 -0.151 0.000 2.591 212 L HA 0.235 4.555 4.340 -0.034 0.000 0.228 212 L C 0.906 177.780 176.870 0.007 0.000 1.133 212 L CA 0.785 55.586 54.840 -0.064 0.000 0.880 212 L CB -0.840 41.186 42.059 -0.055 0.000 1.033 212 L HN 0.341 nan 8.230 nan 0.000 0.450 213 T N 0.224 114.805 114.554 0.046 0.000 2.767 213 T HA 0.387 4.717 4.350 -0.034 0.000 0.284 213 T C 0.267 175.057 174.700 0.149 0.000 0.973 213 T CA -0.622 61.530 62.100 0.086 0.000 0.996 213 T CB 0.645 69.562 68.868 0.080 0.000 0.927 213 T HN 0.355 nan 8.240 nan 0.000 0.456 214 R N 3.438 123.986 120.500 0.081 0.000 2.570 214 R HA 0.228 4.548 4.340 -0.034 0.000 0.277 214 R C 0.037 176.299 176.300 -0.064 0.000 1.039 214 R CA 0.135 56.254 56.100 0.033 0.000 1.065 214 R CB 0.476 30.787 30.300 0.019 0.000 0.964 214 R HN 0.588 nan 8.270 nan 0.000 0.428 215 K N 2.928 123.182 120.400 -0.244 0.000 2.427 215 K HA 0.227 4.526 4.320 -0.034 0.000 0.252 215 K C -1.060 175.446 176.600 -0.158 0.000 0.931 215 K CA -0.697 55.436 56.287 -0.257 0.000 0.793 215 K CB 1.465 33.687 32.500 -0.463 0.000 1.211 215 K HN 0.359 nan 8.250 nan 0.000 0.426 216 K N 1.404 121.766 120.400 -0.062 0.000 2.249 216 K HA 0.228 4.528 4.320 -0.034 0.000 0.280 216 K C 0.442 177.043 176.600 0.001 0.000 1.033 216 K CA -0.519 55.768 56.287 -0.001 0.000 0.946 216 K CB 1.291 33.800 32.500 0.014 0.000 1.005 216 K HN 0.728 nan 8.250 nan 0.000 0.469 217 G N 1.501 110.329 108.800 0.047 0.000 2.634 217 G HA2 -0.015 3.924 3.960 -0.034 0.000 0.255 217 G HA3 -0.015 3.924 3.960 -0.034 0.000 0.255 217 G C 0.558 175.407 174.900 -0.085 0.000 1.205 217 G CA -0.497 44.589 45.100 -0.023 0.000 0.884 217 G HN 0.532 nan 8.290 nan 0.000 0.549 218 K N 0.269 120.580 120.400 -0.149 0.000 2.217 218 K HA 0.015 4.315 4.320 -0.034 0.000 0.202 218 K C 2.501 178.973 176.600 -0.213 0.000 1.051 218 K CA 0.336 56.529 56.287 -0.157 0.000 0.952 218 K CB -0.266 32.137 32.500 -0.162 0.000 0.736 218 K HN 0.417 nan 8.250 nan 0.000 0.453 219 L N 1.078 122.086 121.223 -0.359 0.000 2.012 219 L HA -0.221 4.099 4.340 -0.034 0.000 0.210 219 L C 2.661 179.412 176.870 -0.199 0.000 1.073 219 L CA 1.522 56.093 54.840 -0.449 0.000 0.748 219 L CB -0.358 41.087 42.059 -1.025 0.000 0.891 219 L HN 0.281 nan 8.230 nan 0.000 0.431 220 E N 0.231 120.398 120.200 -0.054 0.000 2.077 220 E HA -0.209 4.120 4.350 -0.034 0.000 0.193 220 E C 2.304 178.925 176.600 0.035 0.000 0.989 220 E CA 0.973 57.449 56.400 0.128 0.000 0.800 220 E CB -0.010 29.813 29.700 0.206 0.000 0.746 220 E HN 0.439 nan 8.360 nan 0.000 0.452 221 L N -0.007 121.207 121.223 -0.014 0.000 2.291 221 L HA -0.035 4.285 4.340 -0.034 0.000 0.214 221 L C 2.116 178.964 176.870 -0.037 0.000 1.120 221 L CA 0.625 55.452 54.840 -0.021 0.000 0.799 221 L CB -0.109 41.930 42.059 -0.033 0.000 0.925 221 L HN 0.140 nan 8.230 nan 0.000 0.446 222 A N -1.096 121.686 122.820 -0.065 0.000 2.278 222 A HA -0.029 4.271 4.320 -0.034 0.000 0.212 222 A C 0.417 177.984 177.584 -0.028 0.000 1.213 222 A CA -0.244 51.747 52.037 -0.076 0.000 0.840 222 A CB -0.528 18.394 19.000 -0.130 0.000 0.866 222 A HN 0.262 nan 8.150 nan 0.000 0.489 223 D N 0.458 120.858 120.400 -0.001 0.000 2.487 223 D HA 0.115 4.734 4.640 -0.034 0.000 0.243 223 D C 0.708 177.029 176.300 0.034 0.000 1.154 223 D CA 1.030 55.045 54.000 0.025 0.000 0.876 223 D CB 0.130 40.955 40.800 0.041 0.000 1.161 223 D HN 0.395 nan 8.370 nan 0.000 0.478 224 Q N 0.491 120.315 119.800 0.041 0.000 2.305 224 Q HA -0.212 4.107 4.340 -0.034 0.000 0.203 224 Q C 0.557 176.607 176.000 0.082 0.000 0.663 224 Q CA 1.077 56.913 55.803 0.054 0.000 1.389 224 Q CB -1.712 27.055 28.738 0.048 0.000 1.566 224 Q HN 0.621 nan 8.270 nan 0.000 0.755 225 G N -0.684 108.164 108.800 0.079 0.000 3.286 225 G HA2 0.653 4.592 3.960 -0.034 0.000 0.166 225 G HA3 0.653 4.592 3.960 -0.034 0.000 0.166 225 G C -0.770 174.187 174.900 0.094 0.000 1.155 225 G CA 0.161 45.342 45.100 0.136 0.000 0.871 225 G HN -0.007 nan 8.290 nan 0.000 0.637 226 T N 0.286 114.822 114.554 -0.030 0.000 2.881 226 T HA 0.476 4.806 4.350 -0.034 0.000 0.290 226 T C -1.434 173.102 174.700 -0.274 0.000 1.000 226 T CA -0.197 61.857 62.100 -0.077 0.000 0.978 226 T CB 1.850 70.735 68.868 0.027 0.000 0.997 226 T HN 0.385 nan 8.240 nan 0.000 0.443 227 L N 4.311 125.418 121.223 -0.193 0.000 2.276 227 L HA 0.644 4.964 4.340 -0.034 0.000 0.286 227 L C -1.197 175.573 176.870 -0.167 0.000 1.024 227 L CA -0.699 54.001 54.840 -0.233 0.000 0.826 227 L CB 0.311 42.263 42.059 -0.178 0.000 1.211 227 L HN 0.603 nan 8.230 nan 0.000 0.422 228 F N 6.368 126.038 119.950 -0.467 0.000 2.390 228 F HA 0.433 4.941 4.527 -0.033 0.000 0.361 228 F C -0.686 175.014 175.800 -0.167 0.000 1.124 228 F CA -0.929 56.891 58.000 -0.300 0.000 1.149 228 F CB 0.551 39.335 39.000 -0.359 0.000 1.160 228 F HN 0.317 nan 8.300 nan 0.000 0.501 229 L N 6.298 127.243 121.223 -0.463 0.000 2.352 229 L HA 0.189 4.508 4.340 -0.034 0.000 0.272 229 L C -0.013 176.434 176.870 -0.705 0.000 1.109 229 L CA -0.500 54.068 54.840 -0.454 0.000 0.952 229 L CB -0.106 41.827 42.059 -0.210 0.000 1.314 229 L HN 0.475 nan 8.230 nan 0.000 0.427 230 D N 4.375 124.236 120.400 -0.899 0.000 2.417 230 D HA -0.028 4.591 4.640 -0.034 0.000 0.250 230 D C 0.531 176.661 176.300 -0.283 0.000 1.166 230 D CA 0.465 54.050 54.000 -0.692 0.000 0.881 230 D CB 0.734 41.278 40.800 -0.427 0.000 1.164 230 D HN 0.365 nan 8.370 nan 0.000 0.467 231 E N 1.794 121.890 120.200 -0.173 0.000 2.271 231 E HA -0.174 4.156 4.350 -0.034 0.000 0.223 231 E C 0.935 177.506 176.600 -0.048 0.000 1.223 231 E CA 0.170 56.524 56.400 -0.076 0.000 0.704 231 E CB -1.482 28.191 29.700 -0.045 0.000 1.194 231 E HN 0.372 nan 8.360 nan 0.000 0.375 232 V N -0.267 119.620 119.914 -0.045 0.000 2.720 232 V HA -0.180 3.919 4.120 -0.034 0.000 0.256 232 V C 2.088 178.302 176.094 0.201 0.000 1.082 232 V CA 2.739 65.067 62.300 0.048 0.000 1.101 232 V CB -0.171 31.696 31.823 0.073 0.000 0.693 232 V HN 0.531 nan 8.190 nan 0.000 0.479 233 G N -1.018 107.847 108.800 0.109 0.000 2.471 233 G HA2 -0.138 3.802 3.960 -0.034 0.000 0.219 233 G HA3 -0.138 3.802 3.960 -0.034 0.000 0.219 233 G C 1.246 176.253 174.900 0.178 0.000 1.125 233 G CA 0.375 45.578 45.100 0.171 0.000 0.775 233 G HN 0.537 nan 8.290 nan 0.000 0.548 234 E N 0.125 120.380 120.200 0.091 0.000 2.463 234 E HA 0.127 4.457 4.350 -0.034 0.000 0.191 234 E C 0.449 177.079 176.600 0.051 0.000 1.083 234 E CA -0.075 56.359 56.400 0.056 0.000 0.872 234 E CB 0.033 29.745 29.700 0.021 0.000 0.966 234 E HN 0.395 nan 8.360 nan 0.000 0.491 235 L N 2.421 123.691 121.223 0.078 0.000 2.305 235 L HA 0.100 4.419 4.340 -0.034 0.000 0.281 235 L C 0.549 177.425 176.870 0.010 0.000 1.085 235 L CA -0.889 53.972 54.840 0.035 0.000 0.813 235 L CB 0.586 42.662 42.059 0.029 0.000 1.157 235 L HN -0.032 nan 8.230 nan 0.000 0.436 236 D N 1.560 121.956 120.400 -0.007 0.000 2.362 236 D HA -0.053 4.567 4.640 -0.034 0.000 0.238 236 D C 0.664 176.931 176.300 -0.055 0.000 1.212 236 D CA -0.232 53.755 54.000 -0.022 0.000 0.902 236 D CB 0.692 41.479 40.800 -0.021 0.000 1.180 236 D HN 0.467 nan 8.370 nan 0.000 0.445 237 Q N -0.465 119.299 119.800 -0.061 0.000 2.224 237 Q HA -0.159 4.161 4.340 -0.034 0.000 0.203 237 Q C 2.013 177.964 176.000 -0.083 0.000 0.970 237 Q CA 0.757 56.505 55.803 -0.091 0.000 0.865 237 Q CB -0.096 28.599 28.738 -0.071 0.000 0.922 237 Q HN 0.571 nan 8.270 nan 0.000 0.445 238 R N 0.715 121.178 120.500 -0.062 0.000 2.075 238 R HA -0.141 4.179 4.340 -0.034 0.000 0.230 238 R C 2.192 178.453 176.300 -0.065 0.000 1.140 238 R CA 1.621 57.683 56.100 -0.062 0.000 0.928 238 R CB -0.267 29.999 30.300 -0.058 0.000 0.834 238 R HN 0.065 nan 8.270 nan 0.000 0.429 239 V N 1.569 121.453 119.914 -0.050 0.000 2.332 239 V HA -0.298 3.802 4.120 -0.034 0.000 0.248 239 V C 2.487 178.570 176.094 -0.017 0.000 1.055 239 V CA 2.131 64.423 62.300 -0.012 0.000 1.038 239 V CB -0.755 31.081 31.823 0.021 0.000 0.651 239 V HN 0.473 nan 8.190 nan 0.000 0.450 240 Q N -0.183 119.566 119.800 -0.084 0.000 2.133 240 Q HA -0.276 4.044 4.340 -0.034 0.000 0.208 240 Q C 2.419 178.355 176.000 -0.108 0.000 0.991 240 Q CA 2.135 57.841 55.803 -0.162 0.000 0.867 240 Q CB -0.440 28.105 28.738 -0.321 0.000 0.911 240 Q HN 0.715 nan 8.270 nan 0.000 0.417 241 A N 1.093 123.863 122.820 -0.083 0.000 1.898 241 A HA -0.173 4.126 4.320 -0.034 0.000 0.216 241 A C 1.895 179.474 177.584 -0.009 0.000 1.181 241 A CA 1.306 53.312 52.037 -0.051 0.000 0.620 241 A CB -0.238 18.731 19.000 -0.052 0.000 0.819 241 A HN 0.173 nan 8.150 nan 0.000 0.442 242 K N -0.790 119.608 120.400 -0.004 0.000 2.057 242 K HA -0.116 4.184 4.320 -0.034 0.000 0.207 242 K C 1.921 178.646 176.600 0.208 0.000 1.049 242 K CA 1.393 57.705 56.287 0.041 0.000 0.931 242 K CB -0.391 32.028 32.500 -0.134 0.000 0.714 242 K HN 0.403 nan 8.250 nan 0.000 0.440 243 L N 1.451 122.784 121.223 0.185 0.000 2.056 243 L HA -0.128 4.192 4.340 -0.034 0.000 0.207 243 L C 2.101 179.006 176.870 0.058 0.000 1.078 243 L CA 1.238 56.153 54.840 0.125 0.000 0.749 243 L CB -0.504 41.584 42.059 0.048 0.000 0.901 243 L HN 0.072 nan 8.230 nan 0.000 0.433 244 L N -0.056 121.186 121.223 0.032 0.000 2.042 244 L HA -0.224 4.096 4.340 -0.034 0.000 0.210 244 L C 2.718 179.614 176.870 0.044 0.000 1.076 244 L CA 2.023 56.877 54.840 0.024 0.000 0.749 244 L CB -0.711 41.348 42.059 0.001 0.000 0.893 244 L HN 0.366 nan 8.230 nan 0.000 0.432 245 R N -1.303 119.234 120.500 0.061 0.000 2.115 245 R HA -0.091 4.229 4.340 -0.034 0.000 0.230 245 R C 1.970 178.326 176.300 0.094 0.000 1.111 245 R CA 1.465 57.609 56.100 0.073 0.000 0.976 245 R CB -0.123 30.224 30.300 0.078 0.000 0.870 245 R HN 0.382 nan 8.270 nan 0.000 0.445 246 V N 0.850 120.829 119.914 0.109 0.000 2.548 246 V HA -0.167 3.932 4.120 -0.034 0.000 0.249 246 V C 2.103 178.229 176.094 0.053 0.000 1.055 246 V CA 1.299 63.657 62.300 0.097 0.000 1.065 246 V CB -0.240 31.602 31.823 0.032 0.000 0.681 246 V HN 0.315 nan 8.190 nan 0.000 0.462 247 L N -0.471 120.773 121.223 0.036 0.000 2.156 247 L HA -0.092 4.227 4.340 -0.034 0.000 0.208 247 L C 2.477 179.370 176.870 0.038 0.000 1.095 247 L CA 1.312 56.169 54.840 0.028 0.000 0.770 247 L CB -0.522 41.551 42.059 0.024 0.000 0.914 247 L HN 0.367 nan 8.230 nan 0.000 0.439 248 E N 0.041 120.268 120.200 0.044 0.000 2.008 248 E HA -0.180 4.149 4.350 -0.034 0.000 0.191 248 E C 2.244 178.871 176.600 0.045 0.000 0.986 248 E CA 1.929 58.354 56.400 0.042 0.000 0.807 248 E CB -0.205 29.520 29.700 0.042 0.000 0.766 248 E HN 0.540 nan 8.360 nan 0.000 0.450 249 T N -2.238 112.350 114.554 0.057 0.000 2.770 249 T HA 0.021 4.351 4.350 -0.034 0.000 0.263 249 T C 1.647 176.386 174.700 0.064 0.000 1.039 249 T CA 1.109 63.245 62.100 0.060 0.000 1.142 249 T CB -0.220 68.692 68.868 0.074 0.000 0.868 249 T HN 0.399 nan 8.240 nan 0.000 0.435 250 G N 0.769 109.616 108.800 0.079 0.000 2.140 250 G HA2 -0.002 3.937 3.960 -0.034 0.000 0.211 250 G HA3 -0.002 3.937 3.960 -0.034 0.000 0.211 250 G C 0.133 175.108 174.900 0.125 0.000 1.013 250 G CA 0.400 45.550 45.100 0.083 0.000 0.705 250 G HN 1.650 nan 8.290 nan 0.000 0.508 251 S N -1.240 114.565 115.700 0.175 0.000 2.611 251 S HA 0.944 5.394 4.470 -0.034 0.000 0.268 251 S C -0.713 174.110 174.600 0.372 0.000 1.156 251 S CA -0.203 58.136 58.200 0.233 0.000 0.817 251 S CB 2.553 65.809 63.200 0.095 0.000 1.122 251 S HN 1.852 nan 8.310 nan 0.000 0.466 252 F N -1.525 118.472 119.950 0.078 0.000 2.877 252 F HA 0.864 5.371 4.527 -0.034 0.000 0.319 252 F C -0.912 174.961 175.800 0.121 0.000 1.174 252 F CA -0.653 57.432 58.000 0.142 0.000 0.903 252 F CB 1.047 40.189 39.000 0.236 0.000 1.357 252 F HN 0.863 nan 8.300 nan 0.000 0.472 253 T N -1.133 113.519 114.554 0.163 0.000 2.924 253 T HA 0.629 4.959 4.350 -0.034 0.000 0.291 253 T C -0.525 174.325 174.700 0.250 0.000 1.045 253 T CA -1.136 60.969 62.100 0.008 0.000 1.015 253 T CB 2.051 70.938 68.868 0.032 0.000 1.103 253 T HN 0.844 nan 8.240 nan 0.000 0.496 254 R N 0.265 120.855 120.500 0.149 0.000 2.738 254 R HA 0.405 4.725 4.340 -0.034 0.000 0.275 254 R C 0.022 176.441 176.300 0.199 0.000 1.121 254 R CA -0.757 55.502 56.100 0.264 0.000 1.207 254 R CB 0.306 30.711 30.300 0.175 0.000 1.141 254 R HN 0.545 nan 8.270 nan 0.000 0.571 255 L N 1.141 122.496 121.223 0.219 0.000 2.410 255 L HA 0.113 4.433 4.340 -0.034 0.000 0.273 255 L C 1.169 178.126 176.870 0.145 0.000 1.144 255 L CA 0.458 55.394 54.840 0.159 0.000 0.863 255 L CB 0.727 42.901 42.059 0.193 0.000 1.140 255 L HN 1.018 nan 8.230 nan 0.000 0.463 256 G N 2.558 111.409 108.800 0.085 0.000 2.160 256 G HA2 -0.157 3.783 3.960 -0.034 0.000 0.244 256 G HA3 -0.157 3.783 3.960 -0.034 0.000 0.244 256 G C 0.215 175.148 174.900 0.055 0.000 1.022 256 G CA -0.035 45.101 45.100 0.061 0.000 0.741 256 G HN 1.075 nan 8.290 nan 0.000 0.508 257 G N -1.431 107.402 108.800 0.054 0.000 2.612 257 G HA2 0.579 4.519 3.960 -0.034 0.000 0.298 257 G HA3 0.579 4.519 3.960 -0.034 0.000 0.298 257 G C 0.058 174.969 174.900 0.018 0.000 1.336 257 G CA 0.012 45.133 45.100 0.035 0.000 0.953 257 G HN 0.158 nan 8.290 nan 0.000 0.482 258 N N -0.670 118.031 118.700 0.002 0.000 2.166 258 N HA 0.040 4.760 4.740 -0.034 0.000 0.213 258 N C 0.459 175.955 175.510 -0.022 0.000 1.222 258 N CA -0.115 52.932 53.050 -0.005 0.000 0.900 258 N CB 0.764 39.250 38.487 -0.002 0.000 1.055 258 N HN 0.647 nan 8.380 nan 0.000 0.515 259 Q N 1.764 121.542 119.800 -0.036 0.000 2.286 259 Q HA 0.015 4.335 4.340 -0.034 0.000 0.267 259 Q C -0.251 175.688 176.000 -0.102 0.000 1.028 259 Q CA 0.082 55.850 55.803 -0.058 0.000 0.901 259 Q CB 0.619 29.321 28.738 -0.059 0.000 1.183 259 Q HN -0.041 nan 8.270 nan 0.000 0.392 260 K N 5.356 125.702 120.400 -0.090 0.000 2.349 260 K HA 0.239 4.539 4.320 -0.034 0.000 0.288 260 K C -0.926 175.572 176.600 -0.171 0.000 1.058 260 K CA -0.128 56.091 56.287 -0.114 0.000 0.953 260 K CB 0.410 32.878 32.500 -0.054 0.000 0.997 260 K HN 0.581 nan 8.250 nan 0.000 0.477 261 I N 3.910 124.285 120.570 -0.325 0.000 2.433 261 I HA 0.219 4.369 4.170 -0.034 0.000 0.292 261 I C -0.305 175.685 176.117 -0.212 0.000 1.001 261 I CA -0.779 60.300 61.300 -0.367 0.000 1.119 261 I CB 1.934 39.522 38.000 -0.686 0.000 1.289 261 I HN 0.564 nan 8.210 nan 0.000 0.438 262 E N 5.378 125.545 120.200 -0.054 0.000 2.166 262 E HA 0.515 4.845 4.350 -0.034 0.000 0.275 262 E C -1.029 175.633 176.600 0.103 0.000 0.941 262 E CA -0.719 55.710 56.400 0.048 0.000 0.784 262 E CB 2.511 32.229 29.700 0.029 0.000 1.115 262 E HN 0.424 nan 8.360 nan 0.000 0.399 263 V N -0.302 119.703 119.914 0.153 0.000 2.715 263 V HA 0.497 4.597 4.120 -0.034 0.000 0.310 263 V C -0.570 175.567 176.094 0.072 0.000 1.054 263 V CA -0.984 61.392 62.300 0.127 0.000 0.928 263 V CB 1.932 33.842 31.823 0.144 0.000 1.007 263 V HN 0.591 nan 8.190 nan 0.000 0.437 264 D N 3.656 124.087 120.400 0.053 0.000 2.458 264 D HA 0.483 5.103 4.640 -0.034 0.000 0.258 264 D C -0.404 175.915 176.300 0.032 0.000 1.134 264 D CA -0.320 53.705 54.000 0.041 0.000 0.915 264 D CB 0.584 41.408 40.800 0.041 0.000 1.028 264 D HN 0.837 nan 8.370 nan 0.000 0.508 265 I N -0.809 119.772 120.570 0.020 0.000 2.569 265 I HA 0.608 4.758 4.170 -0.034 0.000 0.296 265 I C -0.410 175.719 176.117 0.020 0.000 1.028 265 I CA -1.121 60.183 61.300 0.006 0.000 1.082 265 I CB 2.109 40.086 38.000 -0.039 0.000 1.264 265 I HN -0.095 nan 8.210 nan 0.000 0.429 266 R N 4.805 125.328 120.500 0.038 0.000 2.207 266 R HA 0.506 4.826 4.340 -0.034 0.000 0.334 266 R C -1.390 174.935 176.300 0.042 0.000 1.013 266 R CA -0.497 55.639 56.100 0.059 0.000 0.858 266 R CB 1.510 31.869 30.300 0.097 0.000 1.094 266 R HN 0.682 nan 8.270 nan 0.000 0.457 267 V N 7.107 127.045 119.914 0.041 0.000 2.407 267 V HA 0.400 4.500 4.120 -0.034 0.000 0.278 267 V C 0.611 176.752 176.094 0.079 0.000 1.037 267 V CA -0.436 61.881 62.300 0.029 0.000 0.900 267 V CB 1.432 33.261 31.823 0.010 0.000 0.983 267 V HN 0.580 nan 8.190 nan 0.000 0.459 268 I N 3.826 124.463 120.570 0.111 0.000 2.465 268 I HA 0.531 4.681 4.170 -0.034 0.000 0.291 268 I C -0.084 176.163 176.117 0.217 0.000 1.014 268 I CA -0.105 61.315 61.300 0.200 0.000 1.093 268 I CB 2.158 40.323 38.000 0.274 0.000 1.267 268 I HN 0.560 nan 8.210 nan 0.000 0.431 269 S N 3.872 119.667 115.700 0.159 0.000 2.566 269 S HA 0.884 5.334 4.470 -0.034 0.000 0.298 269 S C -0.576 174.083 174.600 0.098 0.000 1.083 269 S CA -0.728 57.494 58.200 0.037 0.000 0.978 269 S CB 2.297 65.511 63.200 0.024 0.000 1.073 269 S HN 0.739 nan 8.310 nan 0.000 0.491 270 A N 1.097 123.901 122.820 -0.028 0.000 2.414 270 A HA 0.893 5.193 4.320 -0.034 0.000 0.306 270 A C -0.484 177.098 177.584 -0.004 0.000 1.054 270 A CA -0.719 51.360 52.037 0.069 0.000 0.724 270 A CB 1.954 21.080 19.000 0.209 0.000 1.267 270 A HN 0.659 nan 8.150 nan 0.000 0.418 271 T N 0.007 114.578 114.554 0.027 0.000 2.900 271 T HA 0.482 4.812 4.350 -0.034 0.000 0.303 271 T C -0.368 174.348 174.700 0.027 0.000 1.142 271 T CA -0.210 61.890 62.100 0.000 0.000 1.007 271 T CB 1.047 69.893 68.868 -0.036 0.000 1.156 271 T HN 0.911 nan 8.240 nan 0.000 0.490 272 N N 1.878 120.589 118.700 0.018 0.000 2.204 272 N HA 0.226 4.946 4.740 -0.034 0.000 0.219 272 N C -0.071 175.454 175.510 0.025 0.000 1.151 272 N CA -0.435 52.635 53.050 0.032 0.000 0.867 272 N CB 0.250 38.756 38.487 0.031 0.000 1.043 272 N HN 0.524 nan 8.380 nan 0.000 0.516 273 K N -0.308 120.093 120.400 0.001 0.000 2.393 273 K HA 0.319 4.619 4.320 -0.034 0.000 0.241 273 K C -0.823 175.764 176.600 -0.022 0.000 1.055 273 K CA -0.927 55.350 56.287 -0.016 0.000 0.951 273 K CB 0.547 33.019 32.500 -0.046 0.000 1.285 273 K HN -0.141 nan 8.250 nan 0.000 0.500 274 N N 1.656 120.328 118.700 -0.046 0.000 2.621 274 N HA 0.166 4.886 4.740 -0.034 0.000 0.237 274 N C 0.454 175.875 175.510 -0.149 0.000 0.997 274 N CA -0.206 52.804 53.050 -0.066 0.000 0.918 274 N CB 0.219 38.676 38.487 -0.051 0.000 1.122 274 N HN 0.576 nan 8.380 nan 0.000 0.510 275 L N 1.379 122.472 121.223 -0.216 0.000 2.261 275 L HA -0.117 4.203 4.340 -0.034 0.000 0.216 275 L C 1.650 178.204 176.870 -0.526 0.000 1.114 275 L CA 1.028 55.621 54.840 -0.412 0.000 0.777 275 L CB -0.110 41.641 42.059 -0.514 0.000 0.910 275 L HN 0.576 nan 8.230 nan 0.000 0.440 276 E N -0.176 119.724 120.200 -0.501 0.000 2.204 276 E HA -0.187 4.142 4.350 -0.034 0.000 0.194 276 E C 2.025 178.468 176.600 -0.261 0.000 0.989 276 E CA 0.664 56.781 56.400 -0.472 0.000 0.824 276 E CB 0.174 29.697 29.700 -0.294 0.000 0.756 276 E HN 0.381 nan 8.360 nan 0.000 0.477 277 E N 0.351 120.439 120.200 -0.187 0.000 2.170 277 E HA -0.092 4.237 4.350 -0.034 0.000 0.191 277 E C 1.759 178.300 176.600 -0.099 0.000 0.981 277 E CA 0.484 56.815 56.400 -0.116 0.000 0.830 277 E CB 0.215 29.867 29.700 -0.080 0.000 0.775 277 E HN 0.170 nan 8.360 nan 0.000 0.470 278 E N 0.562 120.691 120.200 -0.118 0.000 2.204 278 E HA -0.065 4.264 4.350 -0.034 0.000 0.194 278 E C 2.159 178.749 176.600 -0.017 0.000 0.989 278 E CA 0.341 56.708 56.400 -0.055 0.000 0.824 278 E CB -0.078 29.588 29.700 -0.056 0.000 0.756 278 E HN 0.363 nan 8.360 nan 0.000 0.477 279 I N 0.717 121.243 120.570 -0.073 0.000 2.286 279 I HA -0.225 3.925 4.170 -0.034 0.000 0.245 279 I C 2.143 178.234 176.117 -0.043 0.000 1.104 279 I CA 0.965 62.236 61.300 -0.048 0.000 1.397 279 I CB -0.116 37.802 38.000 -0.136 0.000 1.072 279 I HN -0.000 nan 8.210 nan 0.000 0.417 280 K N 1.172 121.536 120.400 -0.061 0.000 2.148 280 K HA -0.140 4.160 4.320 -0.034 0.000 0.204 280 K C 1.754 178.339 176.600 -0.024 0.000 1.050 280 K CA 1.163 57.426 56.287 -0.040 0.000 0.942 280 K CB -0.098 32.375 32.500 -0.045 0.000 0.724 280 K HN 0.267 nan 8.250 nan 0.000 0.446 281 K N -0.028 120.359 120.400 -0.022 0.000 2.525 281 K HA 0.031 4.330 4.320 -0.034 0.000 0.192 281 K C 0.756 177.356 176.600 -0.001 0.000 1.029 281 K CA 0.483 56.764 56.287 -0.011 0.000 1.029 281 K CB 0.264 32.759 32.500 -0.009 0.000 0.814 281 K HN 0.312 nan 8.250 nan 0.000 0.503 282 G N 1.946 110.746 108.800 0.001 0.000 2.249 282 G HA2 -0.269 3.671 3.960 -0.034 0.000 0.273 282 G HA3 -0.269 3.671 3.960 -0.034 0.000 0.273 282 G C 0.345 175.257 174.900 0.019 0.000 1.036 282 G CA 0.355 45.458 45.100 0.006 0.000 0.824 282 G HN 0.324 nan 8.290 nan 0.000 0.504 283 N N -1.116 117.612 118.700 0.046 0.000 2.299 283 N HA 0.278 4.997 4.740 -0.034 0.000 0.187 283 N C -0.124 175.479 175.510 0.154 0.000 1.099 283 N CA 0.412 53.508 53.050 0.076 0.000 0.867 283 N CB 0.368 38.899 38.487 0.074 0.000 0.974 283 N HN 0.498 nan 8.380 nan 0.000 0.477 284 F N 0.577 120.500 119.950 -0.045 0.000 2.635 284 F HA 0.342 4.848 4.527 -0.034 0.000 0.314 284 F C -0.805 174.966 175.800 -0.049 0.000 1.119 284 F CA -1.007 56.969 58.000 -0.040 0.000 1.000 284 F CB 1.325 40.296 39.000 -0.048 0.000 1.278 284 F HN -0.348 nan 8.300 nan 0.000 0.446 285 R N 4.107 124.488 120.500 -0.198 0.000 2.389 285 R HA 0.166 4.486 4.340 -0.034 0.000 0.295 285 R C 0.949 177.286 176.300 0.062 0.000 1.075 285 R CA -0.345 55.711 56.100 -0.074 0.000 1.005 285 R CB 0.880 31.091 30.300 -0.148 0.000 0.987 285 R HN 0.797 nan 8.270 nan 0.000 0.452 286 E N 1.994 122.208 120.200 0.024 0.000 2.058 286 E HA -0.259 4.071 4.350 -0.034 0.000 0.194 286 E C 1.148 177.757 176.600 0.015 0.000 0.997 286 E CA 2.019 58.385 56.400 -0.056 0.000 0.801 286 E CB 0.141 29.817 29.700 -0.041 0.000 0.746 286 E HN 0.671 nan 8.360 nan 0.000 0.450 287 D N 0.780 121.252 120.400 0.120 0.000 2.117 287 D HA -0.200 4.420 4.640 -0.034 0.000 0.197 287 D C 2.047 178.446 176.300 0.166 0.000 0.987 287 D CA 0.664 54.780 54.000 0.194 0.000 0.829 287 D CB -0.610 40.267 40.800 0.127 0.000 0.961 287 D HN 0.171 nan 8.370 nan 0.000 0.460 288 L N -0.628 120.659 121.223 0.107 0.000 2.056 288 L HA -0.065 4.255 4.340 -0.034 0.000 0.207 288 L C 2.371 179.377 176.870 0.226 0.000 1.078 288 L CA 1.300 56.203 54.840 0.105 0.000 0.749 288 L CB -1.028 41.008 42.059 -0.040 0.000 0.901 288 L HN 0.106 nan 8.230 nan 0.000 0.433 289 Y N -1.131 119.283 120.300 0.189 0.000 2.181 289 Y HA -0.308 4.222 4.550 -0.033 0.000 0.288 289 Y C 2.195 178.135 175.900 0.067 0.000 1.146 289 Y CA 1.943 60.140 58.100 0.162 0.000 1.164 289 Y CB -0.546 37.917 38.460 0.005 0.000 0.982 289 Y HN 0.257 nan 8.280 nan 0.000 0.515 290 Y N 0.499 120.839 120.300 0.066 0.000 2.242 290 Y HA -0.124 4.405 4.550 -0.034 0.000 0.291 290 Y C 2.638 178.475 175.900 -0.105 0.000 1.137 290 Y CA 1.435 59.493 58.100 -0.070 0.000 1.181 290 Y CB -0.604 37.890 38.460 0.057 0.000 0.989 290 Y HN 0.088 nan 8.280 nan 0.000 0.527 291 R N -0.317 120.256 120.500 0.121 0.000 2.115 291 R HA -0.083 4.237 4.340 -0.034 0.000 0.230 291 R C 1.891 178.195 176.300 0.006 0.000 1.111 291 R CA 1.114 57.246 56.100 0.054 0.000 0.976 291 R CB -0.398 29.940 30.300 0.063 0.000 0.870 291 R HN 0.350 nan 8.270 nan 0.000 0.445 292 L N 0.144 121.358 121.223 -0.014 0.000 2.418 292 L HA 0.008 4.328 4.340 -0.034 0.000 0.218 292 L C 1.435 178.252 176.870 -0.088 0.000 1.125 292 L CA 0.588 55.416 54.840 -0.020 0.000 0.835 292 L CB 0.165 42.246 42.059 0.038 0.000 0.953 292 L HN 0.120 nan 8.230 nan 0.000 0.454 293 S N -2.483 113.090 115.700 -0.212 0.000 2.601 293 S HA 0.128 4.578 4.470 -0.034 0.000 0.244 293 S C 1.361 175.871 174.600 -0.149 0.000 1.001 293 S CA -0.371 57.681 58.200 -0.248 0.000 0.984 293 S CB 0.194 63.014 63.200 -0.633 0.000 0.842 293 S HN -0.009 nan 8.310 nan 0.000 0.474 294 V N 0.656 120.488 119.914 -0.137 0.000 2.324 294 V HA -0.048 4.051 4.120 -0.034 0.000 0.250 294 V C 0.550 176.411 176.094 -0.388 0.000 1.060 294 V CA 1.587 63.734 62.300 -0.255 0.000 1.042 294 V CB -0.689 30.959 31.823 -0.292 0.000 0.650 294 V HN 0.610 nan 8.190 nan 0.000 0.450 295 F N -0.657 119.291 119.950 -0.004 0.000 2.492 295 F HA 0.625 5.132 4.527 -0.033 0.000 0.327 295 F C 0.253 176.060 175.800 0.011 0.000 1.079 295 F CA -0.935 57.070 58.000 0.009 0.000 0.967 295 F CB 1.359 40.369 39.000 0.016 0.000 1.169 295 F HN -0.009 nan 8.300 nan 0.000 0.472 296 Q N 3.114 123.058 119.800 0.241 0.000 2.394 296 Q HA 0.727 5.047 4.340 -0.034 0.000 0.273 296 Q C -1.379 174.715 176.000 0.158 0.000 1.089 296 Q CA -0.851 55.048 55.803 0.160 0.000 0.812 296 Q CB 3.545 32.357 28.738 0.123 0.000 1.353 296 Q HN 0.555 nan 8.270 nan 0.000 0.438 297 I N 1.576 122.233 120.570 0.144 0.000 2.534 297 I HA 0.267 4.416 4.170 -0.034 0.000 0.288 297 I C -1.544 174.679 176.117 0.177 0.000 1.077 297 I CA -0.946 60.437 61.300 0.137 0.000 1.051 297 I CB 1.746 39.795 38.000 0.083 0.000 1.234 297 I HN 0.589 nan 8.210 nan 0.000 0.425 298 Y N 7.285 127.624 120.300 0.064 0.000 2.342 298 Y HA 0.575 5.105 4.550 -0.034 0.000 0.338 298 Y C -1.140 174.798 175.900 0.064 0.000 0.965 298 Y CA -0.673 57.463 58.100 0.060 0.000 1.159 298 Y CB 0.925 39.418 38.460 0.054 0.000 1.157 298 Y HN 0.370 nan 8.280 nan 0.000 0.486 299 L N 9.650 130.564 121.223 -0.515 0.000 2.264 299 L HA 0.435 4.755 4.340 -0.034 0.000 0.289 299 L C -2.244 174.181 176.870 -0.741 0.000 1.044 299 L CA -2.092 52.494 54.840 -0.423 0.000 0.807 299 L CB 0.969 42.923 42.059 -0.175 0.000 1.192 299 L HN 0.546 nan 8.230 nan 0.000 0.425 300 P HA 0.213 nan 4.420 nan 0.000 0.275 300 P C -2.495 174.713 177.300 -0.154 0.000 1.228 300 P CA -1.487 61.442 63.100 -0.286 0.000 0.786 300 P CB -0.058 31.597 31.700 -0.075 0.000 0.927 301 P HA -0.052 nan 4.420 nan 0.000 0.268 301 P C 1.067 178.360 177.300 -0.012 0.000 1.208 301 P CA -0.204 62.891 63.100 -0.008 0.000 0.777 301 P CB 0.286 32.013 31.700 0.045 0.000 0.875 302 L N 3.725 124.952 121.223 0.006 0.000 2.051 302 L HA -0.221 4.099 4.340 -0.034 0.000 0.214 302 L C 2.248 179.133 176.870 0.025 0.000 1.076 302 L CA 1.985 56.812 54.840 -0.023 0.000 0.758 302 L CB -1.100 40.910 42.059 -0.082 0.000 0.890 302 L HN 0.417 nan 8.230 nan 0.000 0.433 303 R N -0.689 119.883 120.500 0.119 0.000 2.285 303 R HA -0.090 4.229 4.340 -0.034 0.000 0.213 303 R C 1.103 177.426 176.300 0.038 0.000 1.068 303 R CA 1.350 57.532 56.100 0.137 0.000 1.004 303 R CB -0.561 29.829 30.300 0.149 0.000 0.873 303 R HN 0.481 nan 8.270 nan 0.000 0.467 304 E N 0.789 120.978 120.200 -0.019 0.000 2.451 304 E HA 0.142 4.472 4.350 -0.034 0.000 0.194 304 E C 0.293 176.723 176.600 -0.283 0.000 1.027 304 E CA -0.184 56.167 56.400 -0.081 0.000 0.914 304 E CB 0.597 30.281 29.700 -0.026 0.000 1.054 304 E HN 0.298 nan 8.360 nan 0.000 0.461 305 R N -0.136 120.208 120.500 -0.261 0.000 2.577 305 R HA 0.211 4.531 4.340 -0.034 0.000 0.344 305 R C 0.865 177.059 176.300 -0.177 0.000 1.037 305 R CA 0.211 56.053 56.100 -0.430 0.000 1.102 305 R CB 1.018 31.189 30.300 -0.215 0.000 1.313 305 R HN 0.216 nan 8.270 nan 0.000 0.561 306 G N 2.351 111.120 108.800 -0.053 0.000 2.591 306 G HA2 -0.421 3.519 3.960 -0.034 0.000 0.298 306 G HA3 -0.421 3.519 3.960 -0.034 0.000 0.298 306 G C 0.491 175.437 174.900 0.077 0.000 1.195 306 G CA 0.461 45.624 45.100 0.104 0.000 0.989 306 G HN 0.343 nan 8.290 nan 0.000 0.551 307 K N 0.944 121.397 120.400 0.087 0.000 2.458 307 K HA 0.145 4.445 4.320 -0.034 0.000 0.194 307 K C 1.458 178.072 176.600 0.023 0.000 1.024 307 K CA 0.452 56.771 56.287 0.052 0.000 1.108 307 K CB 0.065 32.591 32.500 0.043 0.000 0.846 307 K HN 0.367 nan 8.250 nan 0.000 0.518 308 D N 0.690 121.096 120.400 0.011 0.000 2.221 308 D HA -0.160 4.460 4.640 -0.034 0.000 0.204 308 D C 1.722 177.988 176.300 -0.057 0.000 0.982 308 D CA 0.612 54.589 54.000 -0.038 0.000 0.857 308 D CB -0.043 40.721 40.800 -0.060 0.000 0.934 308 D HN -0.007 nan 8.370 nan 0.000 0.475 309 V N 0.645 120.531 119.914 -0.047 0.000 2.332 309 V HA -0.229 3.871 4.120 -0.034 0.000 0.248 309 V C 1.943 178.023 176.094 -0.025 0.000 1.055 309 V CA 1.277 63.526 62.300 -0.085 0.000 1.038 309 V CB -0.224 31.578 31.823 -0.036 0.000 0.651 309 V HN 0.067 nan 8.190 nan 0.000 0.450 310 I N -0.434 120.149 120.570 0.021 0.000 2.202 310 I HA -0.144 4.006 4.170 -0.034 0.000 0.242 310 I C 2.457 178.585 176.117 0.019 0.000 1.091 310 I CA 1.448 62.773 61.300 0.042 0.000 1.368 310 I CB -1.588 36.442 38.000 0.050 0.000 1.058 310 I HN 0.299 nan 8.210 nan 0.000 0.410 311 L N 0.353 121.568 121.223 -0.012 0.000 2.013 311 L HA -0.205 4.115 4.340 -0.034 0.000 0.212 311 L C 2.587 179.423 176.870 -0.056 0.000 1.073 311 L CA 1.777 56.593 54.840 -0.040 0.000 0.753 311 L CB -1.011 41.001 42.059 -0.078 0.000 0.890 311 L HN 0.166 nan 8.230 nan 0.000 0.432 312 L N -1.531 119.648 121.223 -0.073 0.000 2.056 312 L HA -0.162 4.157 4.340 -0.034 0.000 0.207 312 L C 2.631 179.532 176.870 0.051 0.000 1.078 312 L CA 1.079 55.860 54.840 -0.099 0.000 0.749 312 L CB -0.706 41.332 42.059 -0.035 0.000 0.901 312 L HN 0.268 nan 8.230 nan 0.000 0.433 313 A N -0.194 122.690 122.820 0.107 0.000 1.933 313 A HA -0.218 4.081 4.320 -0.034 0.000 0.218 313 A C 2.153 179.824 177.584 0.145 0.000 1.175 313 A CA 1.671 53.816 52.037 0.179 0.000 0.628 313 A CB -0.368 18.710 19.000 0.130 0.000 0.814 313 A HN 0.454 nan 8.150 nan 0.000 0.444 314 E N -1.966 118.284 120.200 0.083 0.000 2.216 314 E HA -0.123 4.207 4.350 -0.034 0.000 0.192 314 E C 1.755 178.375 176.600 0.035 0.000 0.988 314 E CA 1.017 57.456 56.400 0.066 0.000 0.834 314 E CB -0.229 29.503 29.700 0.054 0.000 0.772 314 E HN 0.825 nan 8.360 nan 0.000 0.479 315 Y N 0.240 120.442 120.300 -0.163 0.000 2.200 315 Y HA -0.220 4.310 4.550 -0.034 0.000 0.290 315 Y C 1.610 177.325 175.900 -0.307 0.000 1.137 315 Y CA 1.431 59.357 58.100 -0.290 0.000 1.163 315 Y CB -0.187 37.982 38.460 -0.484 0.000 0.988 315 Y HN -0.079 nan 8.280 nan 0.000 0.518 316 F N -0.033 119.803 119.950 -0.191 0.000 2.163 316 F HA -0.135 4.372 4.527 -0.033 0.000 0.297 316 F C 2.399 178.063 175.800 -0.227 0.000 1.094 316 F CA 1.334 59.125 58.000 -0.347 0.000 1.290 316 F CB -1.162 37.849 39.000 0.020 0.000 1.017 316 F HN 0.164 nan 8.300 nan 0.000 0.483 317 L N 0.324 121.619 121.223 0.119 0.000 2.042 317 L HA -0.269 4.051 4.340 -0.034 0.000 0.210 317 L C 2.450 179.274 176.870 -0.077 0.000 1.076 317 L CA 1.840 56.717 54.840 0.061 0.000 0.749 317 L CB -0.411 41.685 42.059 0.060 0.000 0.893 317 L HN 0.122 nan 8.230 nan 0.000 0.432 318 K N 0.016 120.371 120.400 -0.076 0.000 2.103 318 K HA -0.239 4.061 4.320 -0.034 0.000 0.204 318 K C 2.302 178.823 176.600 -0.132 0.000 1.052 318 K CA 1.566 57.854 56.287 0.002 0.000 0.945 318 K CB -0.087 32.433 32.500 0.034 0.000 0.722 318 K HN 0.294 nan 8.250 nan 0.000 0.443 319 K N -0.498 119.671 120.400 -0.385 0.000 2.057 319 K HA -0.120 4.180 4.320 -0.034 0.000 0.206 319 K C 1.637 177.954 176.600 -0.471 0.000 1.050 319 K CA 1.373 57.345 56.287 -0.525 0.000 0.935 319 K CB -0.066 31.900 32.500 -0.890 0.000 0.715 319 K HN 0.061 nan 8.250 nan 0.000 0.439 320 F N 0.598 120.362 119.950 -0.310 0.000 2.335 320 F HA 0.148 4.655 4.527 -0.033 0.000 0.296 320 F C 2.351 177.877 175.800 -0.457 0.000 1.091 320 F CA 0.679 58.372 58.000 -0.511 0.000 1.399 320 F CB -0.605 38.205 39.000 -0.316 0.000 1.067 320 F HN 0.100 nan 8.300 nan 0.000 0.520 321 A N -0.253 122.456 122.820 -0.185 0.000 1.930 321 A HA -0.184 4.116 4.320 -0.034 0.000 0.217 321 A C 2.171 179.659 177.584 -0.160 0.000 1.175 321 A CA 1.717 53.552 52.037 -0.337 0.000 0.627 321 A CB -0.536 17.875 19.000 -0.982 0.000 0.815 321 A HN 0.239 nan 8.150 nan 0.000 0.443 322 K N 0.047 120.431 120.400 -0.028 0.000 2.103 322 K HA -0.089 4.211 4.320 -0.034 0.000 0.204 322 K C 1.929 178.538 176.600 0.014 0.000 1.052 322 K CA 1.679 58.036 56.287 0.117 0.000 0.945 322 K CB -0.127 32.443 32.500 0.118 0.000 0.722 322 K HN 0.591 nan 8.250 nan 0.000 0.443 323 E N -1.279 118.854 120.200 -0.111 0.000 2.158 323 E HA -0.115 4.215 4.350 -0.034 0.000 0.191 323 E C 0.410 177.026 176.600 0.026 0.000 0.982 323 E CA 0.659 56.981 56.400 -0.129 0.000 0.823 323 E CB 0.135 29.645 29.700 -0.316 0.000 0.766 323 E HN 0.331 nan 8.360 nan 0.000 0.468 324 Y N 0.933 121.271 120.300 0.063 0.000 2.571 324 Y HA 0.306 4.836 4.550 -0.033 0.000 0.275 324 Y C -0.223 175.689 175.900 0.021 0.000 1.179 324 Y CA -0.470 57.651 58.100 0.034 0.000 1.242 324 Y CB -0.045 38.425 38.460 0.017 0.000 1.126 324 Y HN -0.116 nan 8.280 nan 0.000 0.524 325 K N 0.781 121.274 120.400 0.154 0.000 3.419 325 K HA -0.204 4.096 4.320 -0.034 0.000 0.272 325 K C -0.273 176.387 176.600 0.099 0.000 0.973 325 K CA 0.586 56.942 56.287 0.116 0.000 0.749 325 K CB -0.924 31.635 32.500 0.098 0.000 1.403 325 K HN 0.203 nan 8.250 nan 0.000 0.456 326 K N 0.723 121.166 120.400 0.072 0.000 2.331 326 K HA 0.333 4.633 4.320 -0.034 0.000 0.238 326 K C 0.589 177.206 176.600 0.029 0.000 1.058 326 K CA -0.782 55.519 56.287 0.022 0.000 0.871 326 K CB 1.161 33.644 32.500 -0.028 0.000 1.292 326 K HN 0.309 nan 8.250 nan 0.000 0.470 327 N N -1.734 116.979 118.700 0.022 0.000 2.387 327 N HA 0.063 4.783 4.740 -0.034 0.000 0.259 327 N C -0.379 175.189 175.510 0.098 0.000 1.369 327 N CA -0.521 52.649 53.050 0.200 0.000 0.867 327 N CB -0.718 37.921 38.487 0.254 0.000 1.341 327 N HN 0.454 nan 8.380 nan 0.000 0.495 328 c N -0.736 117.761 118.600 -0.172 0.000 2.252 328 c HA 0.567 5.117 4.570 -0.034 0.000 0.342 328 c C 0.301 174.226 174.090 -0.276 0.000 1.110 328 c CA -0.985 55.270 56.329 -0.123 0.000 1.581 328 c CB -2.255 40.197 42.510 -0.097 0.000 2.087 328 c HN 0.294 nan 8.230 nan 0.000 0.500 329 F N 0.558 120.523 119.950 0.025 0.000 2.706 329 F HA 0.337 4.844 4.527 -0.033 0.000 0.313 329 F C 1.160 176.972 175.800 0.020 0.000 1.096 329 F CA -0.039 57.971 58.000 0.018 0.000 1.219 329 F CB 0.233 39.236 39.000 0.005 0.000 1.051 329 F HN 0.669 nan 8.300 nan 0.000 0.568 330 E N 1.307 121.597 120.200 0.150 0.000 2.248 330 E HA 0.405 4.735 4.350 -0.034 0.000 0.267 330 E C -1.174 175.471 176.600 0.076 0.000 0.877 330 E CA -0.508 55.956 56.400 0.108 0.000 0.759 330 E CB 1.532 31.289 29.700 0.095 0.000 1.182 330 E HN 0.048 nan 8.360 nan 0.000 0.418 331 L N 3.773 125.040 121.223 0.074 0.000 2.281 331 L HA 0.231 4.551 4.340 -0.034 0.000 0.285 331 L C 0.690 177.598 176.870 0.064 0.000 1.074 331 L CA -0.532 54.351 54.840 0.071 0.000 0.817 331 L CB 1.210 43.320 42.059 0.084 0.000 1.168 331 L HN 0.608 nan 8.230 nan 0.000 0.434 332 S N 1.998 117.732 115.700 0.056 0.000 2.584 332 S HA 0.050 4.500 4.470 -0.034 0.000 0.270 332 S C 0.980 175.615 174.600 0.058 0.000 1.346 332 S CA -0.571 57.658 58.200 0.049 0.000 1.018 332 S CB 1.152 64.374 63.200 0.037 0.000 0.899 332 S HN 0.582 nan 8.310 nan 0.000 0.542 333 E N 1.465 121.696 120.200 0.051 0.000 2.153 333 E HA -0.118 4.212 4.350 -0.034 0.000 0.194 333 E C 1.822 178.462 176.600 0.067 0.000 0.988 333 E CA 1.366 57.799 56.400 0.056 0.000 0.811 333 E CB -0.387 29.339 29.700 0.044 0.000 0.746 333 E HN 0.801 nan 8.360 nan 0.000 0.466 334 E N -0.247 119.990 120.200 0.061 0.000 2.106 334 E HA -0.077 4.253 4.350 -0.034 0.000 0.192 334 E C 2.101 178.764 176.600 0.105 0.000 0.984 334 E CA 1.299 57.741 56.400 0.071 0.000 0.806 334 E CB -0.410 29.317 29.700 0.045 0.000 0.750 334 E HN 0.113 nan 8.360 nan 0.000 0.458 335 T N 0.873 115.483 114.554 0.093 0.000 2.708 335 T HA -0.149 4.181 4.350 -0.034 0.000 0.266 335 T C 1.589 176.410 174.700 0.201 0.000 1.037 335 T CA 1.420 63.600 62.100 0.133 0.000 1.146 335 T CB -0.154 68.773 68.868 0.099 0.000 0.865 335 T HN 0.112 nan 8.240 nan 0.000 0.435 336 K N 0.642 121.131 120.400 0.149 0.000 2.097 336 K HA -0.144 4.156 4.320 -0.034 0.000 0.206 336 K C 2.396 179.088 176.600 0.153 0.000 1.049 336 K CA 1.401 57.775 56.287 0.146 0.000 0.933 336 K CB -0.099 32.462 32.500 0.102 0.000 0.717 336 K HN 0.313 nan 8.250 nan 0.000 0.442 337 E N 0.726 121.011 120.200 0.142 0.000 2.047 337 E HA -0.231 4.099 4.350 -0.034 0.000 0.191 337 E C 1.869 178.559 176.600 0.151 0.000 0.987 337 E CA 1.296 57.771 56.400 0.125 0.000 0.799 337 E CB -0.373 29.390 29.700 0.106 0.000 0.752 337 E HN 0.393 nan 8.360 nan 0.000 0.449 338 Y N 0.894 121.233 120.300 0.063 0.000 2.200 338 Y HA 0.007 4.536 4.550 -0.034 0.000 0.290 338 Y C 0.690 176.642 175.900 0.086 0.000 1.137 338 Y CA 0.803 58.934 58.100 0.051 0.000 1.163 338 Y CB -0.016 38.470 38.460 0.042 0.000 0.988 338 Y HN -0.019 nan 8.280 nan 0.000 0.518 342 Q N 1.092 120.601 119.800 -0.484 0.000 2.312 342 Q HA 0.168 4.488 4.340 -0.034 0.000 0.236 342 Q C 0.743 176.355 176.000 -0.647 0.000 0.965 342 Q CA 0.286 55.593 55.803 -0.828 0.000 0.894 342 Q CB 0.955 28.680 28.738 -1.689 0.000 1.225 342 Q HN 0.056 nan 8.270 nan 0.000 0.478 343 E N 0.479 120.361 120.200 -0.530 0.000 2.170 343 E HA -0.064 4.265 4.350 -0.034 0.000 0.191 343 E C -0.315 176.253 176.600 -0.054 0.000 0.981 343 E CA 0.051 56.319 56.400 -0.220 0.000 0.830 343 E CB 0.129 29.744 29.700 -0.141 0.000 0.775 343 E HN 0.614 nan 8.360 nan 0.000 0.470 344 W N 1.612 122.898 121.300 -0.023 0.000 6.190 344 W HA -0.263 4.377 4.660 -0.033 0.000 0.423 344 W C 0.961 177.481 176.519 0.000 0.000 1.680 344 W CA 0.203 57.544 57.345 -0.006 0.000 1.036 344 W CB -2.017 27.444 29.460 0.002 0.000 2.908 344 W HN 0.053 nan 8.180 nan 0.000 1.429 345 K N 0.133 120.616 120.400 0.138 0.000 2.211 345 K HA -0.104 4.195 4.320 -0.034 0.000 0.204 345 K C 2.127 178.795 176.600 0.114 0.000 1.047 345 K CA 1.363 57.709 56.287 0.099 0.000 0.935 345 K CB -0.311 32.218 32.500 0.048 0.000 0.728 345 K HN 0.474 nan 8.250 nan 0.000 0.452 346 G N 0.352 109.241 108.800 0.148 0.000 3.141 346 G HA2 -0.033 3.907 3.960 -0.034 0.000 0.218 346 G HA3 -0.033 3.907 3.960 -0.034 0.000 0.218 346 G C 0.013 174.989 174.900 0.128 0.000 1.170 346 G CA -0.314 44.859 45.100 0.123 0.000 0.769 346 G HN 0.180 nan 8.290 nan 0.000 0.546 347 N N -0.663 118.141 118.700 0.175 0.000 1.170 347 N HA -0.257 4.463 4.740 -0.034 0.000 0.121 347 N C 1.592 177.109 175.510 0.011 0.000 0.786 347 N CA 1.795 54.909 53.050 0.108 0.000 0.876 347 N CB -1.105 37.421 38.487 0.065 0.000 1.094 347 N HN -0.030 nan 8.380 nan 0.000 0.586 348 V N 1.626 121.537 119.914 -0.006 0.000 2.515 348 V HA -0.147 3.953 4.120 -0.034 0.000 0.250 348 V C 2.677 178.756 176.094 -0.024 0.000 1.058 348 V CA 2.395 64.688 62.300 -0.010 0.000 1.064 348 V CB -0.503 31.367 31.823 0.079 0.000 0.675 348 V HN 0.451 nan 8.190 nan 0.000 0.461 349 R N 0.148 120.652 120.500 0.006 0.000 2.083 349 R HA -0.224 4.096 4.340 -0.034 0.000 0.237 349 R C 2.438 178.730 176.300 -0.014 0.000 1.137 349 R CA 2.085 58.181 56.100 -0.006 0.000 0.951 349 R CB -0.251 30.065 30.300 0.027 0.000 0.851 349 R HN 0.654 nan 8.270 nan 0.000 0.434 350 E N -0.001 120.227 120.200 0.047 0.000 2.077 350 E HA -0.222 4.108 4.350 -0.034 0.000 0.193 350 E C 1.944 178.603 176.600 0.098 0.000 0.989 350 E CA 1.213 57.686 56.400 0.122 0.000 0.800 350 E CB -0.056 29.802 29.700 0.264 0.000 0.746 350 E HN 0.238 nan 8.360 nan 0.000 0.452 351 L N 1.837 123.021 121.223 -0.065 0.000 2.017 351 L HA -0.203 4.117 4.340 -0.034 0.000 0.208 351 L C 2.426 179.185 176.870 -0.185 0.000 1.073 351 L CA 2.087 56.776 54.840 -0.251 0.000 0.745 351 L CB -0.555 41.199 42.059 -0.508 0.000 0.894 351 L HN 0.006 nan 8.230 nan 0.000 0.432 352 K N -0.452 119.727 120.400 -0.368 0.000 2.009 352 K HA -0.280 4.020 4.320 -0.034 0.000 0.210 352 K C 2.145 178.570 176.600 -0.293 0.000 1.049 352 K CA 1.921 57.772 56.287 -0.727 0.000 0.929 352 K CB -0.568 31.389 32.500 -0.906 0.000 0.714 352 K HN 0.573 nan 8.250 nan 0.000 0.440 353 N N 1.086 119.681 118.700 -0.176 0.000 2.166 353 N HA -0.192 4.528 4.740 -0.034 0.000 0.186 353 N C 2.017 177.479 175.510 -0.079 0.000 1.019 353 N CA 1.147 54.124 53.050 -0.121 0.000 0.856 353 N CB -0.103 38.348 38.487 -0.060 0.000 0.993 353 N HN 0.244 nan 8.380 nan 0.000 0.426 354 L N 1.230 122.453 121.223 -0.001 0.000 2.083 354 L HA -0.041 4.279 4.340 -0.034 0.000 0.209 354 L C 2.115 179.011 176.870 0.044 0.000 1.083 354 L CA 1.263 56.144 54.840 0.069 0.000 0.752 354 L CB -0.486 41.703 42.059 0.216 0.000 0.899 354 L HN 0.148 nan 8.230 nan 0.000 0.433 355 I N -0.486 120.105 120.570 0.037 0.000 2.500 355 I HA -0.176 3.974 4.170 -0.034 0.000 0.252 355 I C 2.427 178.549 176.117 0.009 0.000 1.142 355 I CA 1.063 62.414 61.300 0.086 0.000 1.451 355 I CB -1.046 37.076 38.000 0.202 0.000 1.093 355 I HN 0.501 nan 8.210 nan 0.000 0.430 356 E N 1.297 121.381 120.200 -0.193 0.000 2.072 356 E HA -0.285 4.044 4.350 -0.034 0.000 0.191 356 E C 2.302 178.756 176.600 -0.244 0.000 0.985 356 E CA 1.132 57.206 56.400 -0.544 0.000 0.801 356 E CB 0.071 29.208 29.700 -0.939 0.000 0.750 356 E HN 0.155 nan 8.360 nan 0.000 0.452 357 R N 0.880 121.283 120.500 -0.161 0.000 2.115 357 R HA -0.197 4.123 4.340 -0.034 0.000 0.239 357 R C 2.149 178.412 176.300 -0.061 0.000 1.133 357 R CA 2.194 58.236 56.100 -0.096 0.000 0.935 357 R CB -1.015 29.252 30.300 -0.054 0.000 0.853 357 R HN 0.239 nan 8.270 nan 0.000 0.433 358 A N -0.469 122.334 122.820 -0.029 0.000 1.917 358 A HA -0.154 4.146 4.320 -0.034 0.000 0.219 358 A C 2.384 179.960 177.584 -0.013 0.000 1.182 358 A CA 2.065 54.096 52.037 -0.010 0.000 0.633 358 A CB -0.734 18.278 19.000 0.020 0.000 0.819 358 A HN 0.242 nan 8.150 nan 0.000 0.448 359 V N -0.369 119.542 119.914 -0.004 0.000 2.488 359 V HA -0.173 3.927 4.120 -0.034 0.000 0.246 359 V C 2.347 178.458 176.094 0.029 0.000 1.046 359 V CA 1.613 63.927 62.300 0.023 0.000 1.053 359 V CB -0.561 31.316 31.823 0.090 0.000 0.679 359 V HN 0.556 nan 8.190 nan 0.000 0.458 360 I N -0.404 120.156 120.570 -0.018 0.000 2.226 360 I HA -0.193 3.957 4.170 -0.034 0.000 0.245 360 I C 1.753 177.830 176.117 -0.066 0.000 1.100 360 I CA 1.302 62.552 61.300 -0.084 0.000 1.374 360 I CB -0.081 37.820 38.000 -0.167 0.000 1.057 360 I HN 0.259 nan 8.210 nan 0.000 0.413 361 L N 0.239 121.431 121.223 -0.052 0.000 2.629 361 L HA 0.087 4.407 4.340 -0.034 0.000 0.230 361 L C 0.795 177.648 176.870 -0.028 0.000 1.151 361 L CA 0.035 54.850 54.840 -0.042 0.000 0.924 361 L CB -1.170 40.865 42.059 -0.040 0.000 1.137 361 L HN 0.259 nan 8.230 nan 0.000 0.457 362 c N 0.347 118.933 118.600 -0.023 0.000 2.634 362 c HA 0.061 4.610 4.570 -0.034 0.000 0.418 362 c C 1.932 176.014 174.090 -0.013 0.000 1.373 362 c CA -0.116 56.202 56.329 -0.018 0.000 1.756 362 c CB 0.063 42.559 42.510 -0.024 0.000 2.589 362 c HN 0.507 nan 8.230 nan 0.000 0.602 363 E N 2.885 123.079 120.200 -0.010 0.000 2.184 363 E HA 0.199 4.529 4.350 -0.034 0.000 0.194 363 E C 1.511 178.114 176.600 0.005 0.000 0.978 363 E CA 0.958 57.356 56.400 -0.003 0.000 0.998 363 E CB -0.896 28.802 29.700 -0.005 0.000 1.240 363 E HN 0.879 nan 8.360 nan 0.000 0.492 364 G N 0.720 109.525 108.800 0.008 0.000 3.152 364 G HA2 0.002 3.942 3.960 -0.034 0.000 0.157 364 G HA3 0.002 3.942 3.960 -0.034 0.000 0.157 364 G C 0.574 175.492 174.900 0.030 0.000 1.786 364 G CA 0.108 45.220 45.100 0.019 0.000 1.055 364 G HN 0.141 nan 8.290 nan 0.000 0.528 365 E N -1.751 118.473 120.200 0.041 0.000 2.641 365 E HA 0.304 4.634 4.350 -0.034 0.000 0.224 365 E C -0.762 175.874 176.600 0.060 0.000 0.951 365 E CA -0.098 56.343 56.400 0.069 0.000 1.102 365 E CB 1.649 31.406 29.700 0.095 0.000 1.091 365 E HN 0.088 nan 8.360 nan 0.000 0.507 366 V N 1.654 121.590 119.914 0.038 0.000 2.789 366 V HA 0.424 4.524 4.120 -0.034 0.000 0.311 366 V C -0.551 175.555 176.094 0.020 0.000 1.073 366 V CA -0.804 61.517 62.300 0.035 0.000 0.921 366 V CB 2.265 34.109 31.823 0.035 0.000 1.009 366 V HN 0.068 nan 8.190 nan 0.000 0.426 367 I N 3.690 124.273 120.570 0.022 0.000 2.354 367 I HA 0.459 4.609 4.170 -0.034 0.000 0.292 367 I C 0.697 176.821 176.117 0.011 0.000 0.989 367 I CA -0.095 61.213 61.300 0.013 0.000 1.188 367 I CB 1.646 39.659 38.000 0.022 0.000 1.342 367 I HN 0.731 nan 8.210 nan 0.000 0.457 368 K N 3.839 124.232 120.400 -0.011 0.000 2.412 368 K HA 0.318 4.617 4.320 -0.034 0.000 0.201 368 K C -1.693 174.861 176.600 -0.077 0.000 1.275 368 K CA -0.299 55.974 56.287 -0.024 0.000 0.910 368 K CB -1.133 31.356 32.500 -0.019 0.000 1.346 368 K HN 0.325 nan 8.250 nan 0.000 0.490 369 P HA 0.000 nan 4.420 nan 0.000 0.216 369 P CA 0.000 62.990 63.100 -0.184 0.000 0.800 369 P CB 0.000 31.616 31.700 -0.139 0.000 0.726