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 2i1k_1_A DATA FIRST_RESID 3 DATA SEQUENCE KSMNVRVTTM DAELEFAIQQ TTTGKQLFDQ VVKTIGLREV WFFGLQYTDS DATA SEQUENCE KGDLTWIKLY KKVMQQDVKK ENPLQFKFRA KFYPEDVADE LIQEITLKLF DATA SEQUENCE YLQVKNAILS DEIYCPPETS VLLASYAVQA RHGDHNPAVH GPGFLANDRL DATA SEQUENCE LPQRVTDQHK MSREEWEQSI TNWWQEHRGM LREDAMMEYL KIAQDLEMYG DATA SEQUENCE VNYFEIRNKK NTELWLGVDA LGLNIYEKDD KLTPKIGFPW SEIRNISFND DATA SEQUENCE RKFIIKPIDK KAPDFVFFAP RVRVNKRILA LCMGNHELYM RRRKPDTIDV DATA SEQUENCE QQMKAQAREE KLAKQAQRXX XXXEIAARER AEKKQQEYQD RLRQMQEEME DATA SEQUENCE RSQANLLEAQ DMILRLEEQL RQLQAAKEEL EQRQNELQAM MQRLEETXXX DATA SEQUENCE XXXXXXXLED EIRAKQEEVS RIQQEVELKD SETRRLQEEV EDARRKQDEA DATA SEQUENCE AAALLAATTP QHHHVAERAD XXXXXXXXXX XXXESGGGDL ARGPDDLVDP DATA SEQUENCE VADRRTLAER NERLHNQLKA LKQDLARSCD ETKETAMDKI HRENVRQGRD DATA SEQUENCE KYKTLREIRK GNTKRRVDQF ENM 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.606 176.600 0.011 0.000 0.988 3 K CA 0.000 56.292 56.287 0.009 0.000 0.838 3 K CB 0.000 32.506 32.500 0.010 0.000 1.064 4 S N 2.193 117.900 115.700 0.012 0.000 2.549 4 S HA 0.400 4.871 4.470 0.001 0.000 0.279 4 S C -0.237 174.369 174.600 0.010 0.000 1.321 4 S CA -0.169 58.041 58.200 0.015 0.000 1.054 4 S CB 0.231 63.442 63.200 0.019 0.000 0.899 4 S HN 0.128 nan 8.310 nan 0.000 0.497 5 M N 4.386 123.991 119.600 0.009 0.000 2.456 5 M HA 0.412 4.892 4.480 0.001 0.000 0.324 5 M C -0.457 175.832 176.300 -0.019 0.000 1.124 5 M CA -0.735 54.563 55.300 -0.004 0.000 0.959 5 M CB 1.536 34.136 32.600 -0.000 0.000 1.692 5 M HN 0.571 nan 8.290 nan 0.000 0.444 6 N N 2.137 120.814 118.700 -0.037 0.000 2.472 6 N HA 0.520 5.261 4.740 0.001 0.000 0.277 6 N C -0.692 174.753 175.510 -0.109 0.000 1.081 6 N CA -0.177 52.830 53.050 -0.072 0.000 0.973 6 N CB 1.746 40.199 38.487 -0.057 0.000 1.105 6 N HN 0.539 nan 8.380 nan 0.000 0.470 7 V N 0.081 119.865 119.914 -0.216 0.000 2.823 7 V HA 0.662 4.783 4.120 0.001 0.000 0.312 7 V C -0.252 175.653 176.094 -0.315 0.000 1.072 7 V CA -1.129 61.045 62.300 -0.211 0.000 0.937 7 V CB 2.409 34.113 31.823 -0.197 0.000 1.013 7 V HN 0.643 nan 8.190 nan 0.000 0.430 8 R N 2.460 122.879 120.500 -0.135 0.000 2.480 8 R HA 0.808 5.149 4.340 0.001 0.000 0.306 8 R C -1.985 174.343 176.300 0.048 0.000 0.958 8 R CA -0.509 55.535 56.100 -0.093 0.000 0.861 8 R CB 2.166 32.429 30.300 -0.061 0.000 1.171 8 R HN 0.758 nan 8.270 nan 0.000 0.445 9 V N 3.749 123.694 119.914 0.053 0.000 2.409 9 V HA 0.350 4.470 4.120 0.001 0.000 0.291 9 V C -0.373 175.772 176.094 0.085 0.000 1.020 9 V CA -0.577 61.805 62.300 0.138 0.000 0.848 9 V CB 1.987 33.888 31.823 0.131 0.000 0.990 9 V HN 0.814 nan 8.190 nan 0.000 0.430 10 T N 3.731 118.343 114.554 0.097 0.000 2.756 10 T HA 0.454 4.805 4.350 0.001 0.000 0.290 10 T C 0.398 175.148 174.700 0.084 0.000 0.985 10 T CA -0.369 61.767 62.100 0.060 0.000 0.955 10 T CB 1.105 69.998 68.868 0.042 0.000 0.930 10 T HN 0.906 nan 8.240 nan 0.000 0.451 11 T N 1.021 115.597 114.554 0.036 0.000 2.849 11 T HA 0.345 4.695 4.350 0.001 0.000 0.276 11 T C 1.612 176.335 174.700 0.039 0.000 0.971 11 T CA -0.993 61.147 62.100 0.067 0.000 0.949 11 T CB 0.580 69.409 68.868 -0.066 0.000 1.093 11 T HN 0.239 nan 8.240 nan 0.000 0.545 12 M N 1.413 121.036 119.600 0.039 0.000 2.549 12 M HA 0.030 4.511 4.480 0.001 0.000 0.260 12 M C 1.062 177.373 176.300 0.018 0.000 1.076 12 M CA 1.150 56.458 55.300 0.013 0.000 1.090 12 M CB -1.204 31.395 32.600 -0.001 0.000 1.418 12 M HN 0.897 nan 8.290 nan 0.000 0.486 13 D N -1.458 118.962 120.400 0.033 0.000 2.520 13 D HA 0.358 4.998 4.640 0.001 0.000 0.223 13 D C -0.119 176.249 176.300 0.114 0.000 1.186 13 D CA 0.032 54.077 54.000 0.074 0.000 0.821 13 D CB 0.374 41.244 40.800 0.117 0.000 1.072 13 D HN 0.074 nan 8.370 nan 0.000 0.518 14 A N -0.154 122.702 122.820 0.061 0.000 2.604 14 A HA 0.598 4.919 4.320 0.001 0.000 0.295 14 A C -1.441 176.161 177.584 0.030 0.000 1.067 14 A CA -0.751 51.335 52.037 0.082 0.000 0.683 14 A CB 1.629 20.679 19.000 0.083 0.000 1.281 14 A HN -0.007 nan 8.150 nan 0.000 0.407 15 E N 0.898 121.128 120.200 0.049 0.000 2.158 15 E HA 0.572 4.923 4.350 0.001 0.000 0.271 15 E C -1.409 175.227 176.600 0.060 0.000 0.911 15 E CA -0.430 55.994 56.400 0.040 0.000 0.767 15 E CB 1.673 31.393 29.700 0.033 0.000 1.120 15 E HN 0.540 nan 8.360 nan 0.000 0.405 16 L N 3.139 124.406 121.223 0.074 0.000 2.325 16 L HA 0.429 4.769 4.340 0.001 0.000 0.281 16 L C -0.340 176.635 176.870 0.175 0.000 1.004 16 L CA -0.495 54.440 54.840 0.157 0.000 0.823 16 L CB 1.554 43.733 42.059 0.201 0.000 1.236 16 L HN 0.429 nan 8.230 nan 0.000 0.415 17 E N 4.226 124.529 120.200 0.172 0.000 2.145 17 E HA 0.646 4.996 4.350 0.001 0.000 0.270 17 E C -1.384 175.329 176.600 0.188 0.000 0.906 17 E CA -0.439 55.998 56.400 0.063 0.000 0.761 17 E CB 1.805 31.523 29.700 0.030 0.000 1.116 17 E HN 0.391 nan 8.360 nan 0.000 0.408 18 F N 0.367 120.320 119.950 0.006 0.000 2.719 18 F HA 0.733 5.260 4.527 0.001 0.000 0.309 18 F C -1.374 174.431 175.800 0.008 0.000 1.138 18 F CA -1.395 56.605 58.000 0.000 0.000 0.943 18 F CB 0.630 39.622 39.000 -0.013 0.000 1.304 18 F HN 0.365 nan 8.300 nan 0.000 0.445 19 A N 2.406 125.337 122.820 0.185 0.000 2.303 19 A HA 0.867 5.188 4.320 0.001 0.000 0.317 19 A C -0.461 177.229 177.584 0.178 0.000 1.149 19 A CA -0.623 51.470 52.037 0.093 0.000 0.822 19 A CB 0.604 19.645 19.000 0.067 0.000 1.131 19 A HN 1.146 nan 8.150 nan 0.000 0.493 20 I N -1.225 119.405 120.570 0.101 0.000 2.957 20 I HA 0.548 4.718 4.170 0.001 0.000 0.310 20 I C -0.236 175.918 176.117 0.062 0.000 1.063 20 I CA -1.039 60.328 61.300 0.112 0.000 1.033 20 I CB 1.604 39.669 38.000 0.109 0.000 1.230 20 I HN 0.671 nan 8.210 nan 0.000 0.447 21 Q N 1.766 121.599 119.800 0.054 0.000 2.443 21 Q HA 0.072 4.413 4.340 0.001 0.000 0.232 21 Q C 0.917 176.935 176.000 0.029 0.000 1.026 21 Q CA -0.067 55.758 55.803 0.036 0.000 0.924 21 Q CB 1.020 29.778 28.738 0.032 0.000 1.256 21 Q HN 0.768 nan 8.270 nan 0.000 0.519 22 Q N -0.307 119.507 119.800 0.023 0.000 2.135 22 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 22 Q C 0.831 176.843 176.000 0.020 0.000 0.981 22 Q CA 1.879 57.693 55.803 0.019 0.000 0.856 22 Q CB -0.287 28.461 28.738 0.016 0.000 0.902 22 Q HN 0.669 nan 8.270 nan 0.000 0.425 23 T N -1.721 112.846 114.554 0.021 0.000 3.275 23 T HA 0.263 4.614 4.350 0.001 0.000 0.265 23 T C -0.198 174.516 174.700 0.023 0.000 0.978 23 T CA -0.556 61.557 62.100 0.022 0.000 0.923 23 T CB 0.409 69.290 68.868 0.022 0.000 1.126 23 T HN 0.029 nan 8.240 nan 0.000 0.538 24 T N 3.968 118.536 114.554 0.023 0.000 2.851 24 T HA 0.378 4.729 4.350 0.001 0.000 0.298 24 T C 0.882 175.588 174.700 0.010 0.000 0.977 24 T CA -0.209 61.905 62.100 0.022 0.000 1.126 24 T CB 0.934 69.821 68.868 0.033 0.000 0.916 24 T HN 0.699 nan 8.240 nan 0.000 0.529 25 T N 0.787 115.344 114.554 0.005 0.000 2.882 25 T HA 0.375 4.726 4.350 0.001 0.000 0.287 25 T C 1.868 176.541 174.700 -0.045 0.000 1.014 25 T CA -0.376 61.717 62.100 -0.012 0.000 1.049 25 T CB 1.065 69.928 68.868 -0.008 0.000 1.001 25 T HN 0.547 nan 8.240 nan 0.000 0.525 26 G N 0.751 109.511 108.800 -0.067 0.000 2.503 26 G HA2 -0.289 3.672 3.960 0.001 0.000 0.221 26 G HA3 -0.289 3.672 3.960 0.001 0.000 0.221 26 G C 1.391 176.238 174.900 -0.088 0.000 1.131 26 G CA 1.097 46.147 45.100 -0.084 0.000 0.756 26 G HN 0.839 nan 8.290 nan 0.000 0.572 27 K N -0.131 120.156 120.400 -0.189 0.000 2.103 27 K HA -0.031 4.290 4.320 0.001 0.000 0.204 27 K C 2.650 179.234 176.600 -0.027 0.000 1.052 27 K CA 1.040 57.195 56.287 -0.221 0.000 0.945 27 K CB -0.117 32.111 32.500 -0.454 0.000 0.722 27 K HN 0.393 nan 8.250 nan 0.000 0.443 28 Q N 0.282 120.069 119.800 -0.022 0.000 2.167 28 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 28 Q C 2.013 178.037 176.000 0.040 0.000 0.970 28 Q CA 0.868 56.680 55.803 0.015 0.000 0.855 28 Q CB 0.003 28.750 28.738 0.014 0.000 0.911 28 Q HN 0.196 nan 8.270 nan 0.000 0.438 29 L N -0.076 121.173 121.223 0.044 0.000 2.023 29 L HA -0.101 4.240 4.340 0.001 0.000 0.205 29 L C 1.978 178.897 176.870 0.081 0.000 1.073 29 L CA 1.575 56.455 54.840 0.067 0.000 0.745 29 L CB -0.781 41.244 42.059 -0.058 0.000 0.900 29 L HN 0.149 nan 8.230 nan 0.000 0.435 30 F N 0.576 120.498 119.950 -0.047 0.000 2.095 30 F HA -0.290 4.238 4.527 0.001 0.000 0.298 30 F C 2.186 177.979 175.800 -0.012 0.000 1.104 30 F CA 2.112 60.120 58.000 0.013 0.000 1.232 30 F CB -0.249 38.780 39.000 0.048 0.000 0.987 30 F HN 0.220 nan 8.300 nan 0.000 0.475 31 D N -0.055 120.498 120.400 0.255 0.000 2.117 31 D HA -0.206 4.435 4.640 0.001 0.000 0.197 31 D C 2.226 178.475 176.300 -0.084 0.000 0.987 31 D CA 1.319 55.394 54.000 0.125 0.000 0.829 31 D CB -0.537 40.332 40.800 0.114 0.000 0.961 31 D HN 0.488 nan 8.370 nan 0.000 0.460 32 Q N 0.122 119.844 119.800 -0.130 0.000 2.124 32 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 32 Q C 2.339 178.109 176.000 -0.382 0.000 0.977 32 Q CA 0.713 56.346 55.803 -0.283 0.000 0.850 32 Q CB 0.140 28.633 28.738 -0.410 0.000 0.901 32 Q HN 0.153 nan 8.270 nan 0.000 0.429 33 V N 0.405 120.097 119.914 -0.371 0.000 2.261 33 V HA -0.240 3.880 4.120 0.001 0.000 0.246 33 V C 2.349 178.055 176.094 -0.646 0.000 1.047 33 V CA 1.925 63.917 62.300 -0.515 0.000 1.015 33 V CB -0.682 30.767 31.823 -0.623 0.000 0.642 33 V HN 0.392 nan 8.190 nan 0.000 0.446 34 V N -2.302 117.230 119.914 -0.637 0.000 2.379 34 V HA -0.087 4.034 4.120 0.001 0.000 0.245 34 V C 2.395 178.296 176.094 -0.323 0.000 1.044 34 V CA 1.378 63.346 62.300 -0.552 0.000 1.036 34 V CB -0.890 30.681 31.823 -0.420 0.000 0.664 34 V HN 0.313 nan 8.190 nan 0.000 0.453 35 K N 0.773 121.037 120.400 -0.226 0.000 2.152 35 K HA -0.101 4.220 4.320 0.001 0.000 0.206 35 K C 2.247 178.751 176.600 -0.161 0.000 1.048 35 K CA 1.934 58.133 56.287 -0.148 0.000 0.933 35 K CB -0.933 31.503 32.500 -0.107 0.000 0.721 35 K HN 0.630 nan 8.250 nan 0.000 0.447 36 T N 2.358 116.775 114.554 -0.228 0.000 2.614 36 T HA -0.103 4.247 4.350 0.001 0.000 0.263 36 T C 1.918 176.526 174.700 -0.153 0.000 1.055 36 T CA 1.645 63.631 62.100 -0.189 0.000 1.162 36 T CB -0.260 68.454 68.868 -0.258 0.000 0.863 36 T HN 0.454 nan 8.240 nan 0.000 0.414 37 I N -0.544 119.816 120.570 -0.350 0.000 3.001 37 I HA 0.260 4.430 4.170 0.001 0.000 0.268 37 I C 1.449 177.485 176.117 -0.136 0.000 1.267 37 I CA 0.756 61.830 61.300 -0.375 0.000 1.472 37 I CB -0.809 36.751 38.000 -0.733 0.000 1.089 37 I HN 0.429 nan 8.210 nan 0.000 0.468 38 G N 2.218 110.933 108.800 -0.142 0.000 2.142 38 G HA2 -0.263 3.698 3.960 0.001 0.000 0.225 38 G HA3 -0.263 3.698 3.960 0.001 0.000 0.225 38 G C -0.228 174.619 174.900 -0.088 0.000 1.015 38 G CA 0.239 45.293 45.100 -0.076 0.000 0.716 38 G HN 0.524 nan 8.290 nan 0.000 0.508 39 L N -0.542 120.589 121.223 -0.153 0.000 2.275 39 L HA 0.782 5.123 4.340 0.001 0.000 0.288 39 L C 1.233 178.042 176.870 -0.103 0.000 1.046 39 L CA -1.002 53.753 54.840 -0.143 0.000 0.805 39 L CB 0.645 42.556 42.059 -0.247 0.000 1.193 39 L HN 0.154 nan 8.230 nan 0.000 0.426 40 R N 2.028 122.474 120.500 -0.091 0.000 2.373 40 R HA 0.156 4.496 4.340 0.001 0.000 0.221 40 R C -0.062 176.030 176.300 -0.347 0.000 0.893 40 R CA -0.004 56.034 56.100 -0.103 0.000 1.049 40 R CB 0.479 30.762 30.300 -0.029 0.000 1.119 40 R HN 0.639 nan 8.270 nan 0.000 0.535 41 E N 2.156 122.094 120.200 -0.438 0.000 2.346 41 E HA -0.021 4.330 4.350 0.001 0.000 0.317 41 E C 1.193 177.236 176.600 -0.929 0.000 1.404 41 E CA -0.134 55.587 56.400 -1.132 0.000 1.534 41 E CB 0.522 29.988 29.700 -0.390 0.000 1.309 41 E HN 0.163 nan 8.360 nan 0.000 0.499 42 V N -1.785 117.713 119.914 -0.694 0.000 2.759 42 V HA -0.203 3.918 4.120 0.001 0.000 0.256 42 V C 1.755 177.838 176.094 -0.018 0.000 1.080 42 V CA 0.900 63.173 62.300 -0.044 0.000 1.101 42 V CB -1.015 30.784 31.823 -0.039 0.000 0.698 42 V HN 0.657 nan 8.190 nan 0.000 0.477 43 W N 0.100 121.359 121.300 -0.069 0.000 2.364 43 W HA 0.045 4.706 4.660 0.001 0.000 0.281 43 W C 1.872 178.305 176.519 -0.144 0.000 1.219 43 W CA 0.661 57.874 57.345 -0.220 0.000 1.220 43 W CB -1.508 27.694 29.460 -0.430 0.000 1.127 43 W HN 0.226 nan 8.180 nan 0.000 0.556 44 F N -0.947 118.975 119.950 -0.047 0.000 2.558 44 F HA 0.137 4.665 4.527 0.001 0.000 0.298 44 F C 0.689 176.186 175.800 -0.505 0.000 1.119 44 F CA 0.127 57.985 58.000 -0.237 0.000 1.451 44 F CB -0.418 38.207 39.000 -0.625 0.000 1.091 44 F HN -0.271 nan 8.300 nan 0.000 0.563 45 F N -0.722 119.334 119.950 0.176 0.000 2.556 45 F HA 0.701 5.229 4.527 0.001 0.000 0.327 45 F C 0.602 176.482 175.800 0.133 0.000 1.059 45 F CA -0.926 57.047 58.000 -0.044 0.000 0.953 45 F CB 1.397 40.213 39.000 -0.308 0.000 1.227 45 F HN -0.233 nan 8.300 nan 0.000 0.478 46 G N 0.312 109.275 108.800 0.272 0.000 2.721 46 G HA2 0.672 4.633 3.960 0.001 0.000 0.296 46 G HA3 0.672 4.633 3.960 0.001 0.000 0.296 46 G C -2.274 173.023 174.900 0.660 0.000 1.383 46 G CA -0.892 44.508 45.100 0.500 0.000 0.788 46 G HN 0.512 nan 8.290 nan 0.000 0.500 47 L N 1.138 122.802 121.223 0.736 0.000 2.345 47 L HA 0.394 4.735 4.340 0.001 0.000 0.274 47 L C 0.136 177.279 176.870 0.455 0.000 0.999 47 L CA -0.463 54.692 54.840 0.525 0.000 0.849 47 L CB 1.679 43.943 42.059 0.342 0.000 1.220 47 L HN 0.458 nan 8.230 nan 0.000 0.422 48 Q N 2.822 122.663 119.800 0.068 0.000 2.340 48 Q HA 0.435 4.775 4.340 0.001 0.000 0.249 48 Q C -1.172 174.916 176.000 0.147 0.000 0.957 48 Q CA -0.075 55.555 55.803 -0.289 0.000 0.882 48 Q CB 1.376 29.758 28.738 -0.594 0.000 1.235 48 Q HN 0.529 nan 8.270 nan 0.000 0.439 49 Y N -2.717 117.539 120.300 -0.074 0.000 2.728 49 Y HA 0.645 5.195 4.550 0.001 0.000 0.330 49 Y C -0.987 174.836 175.900 -0.128 0.000 1.234 49 Y CA -1.342 56.701 58.100 -0.094 0.000 1.070 49 Y CB 1.080 39.512 38.460 -0.047 0.000 1.300 49 Y HN 0.327 nan 8.280 nan 0.000 0.467 50 T N 2.361 116.910 114.554 -0.008 0.000 2.771 50 T HA 0.336 4.687 4.350 0.001 0.000 0.281 50 T C -0.922 173.830 174.700 0.087 0.000 0.982 50 T CA -0.728 61.331 62.100 -0.070 0.000 0.978 50 T CB 0.765 69.594 68.868 -0.065 0.000 0.930 50 T HN 0.698 nan 8.240 nan 0.000 0.447 51 D N 1.181 121.592 120.400 0.018 0.000 2.451 51 D HA 0.193 4.834 4.640 0.001 0.000 0.259 51 D C 1.476 177.812 176.300 0.059 0.000 1.201 51 D CA -0.716 53.362 54.000 0.130 0.000 1.028 51 D CB 0.293 41.158 40.800 0.109 0.000 1.095 51 D HN 0.360 nan 8.370 nan 0.000 0.539 52 S N -0.512 115.226 115.700 0.063 0.000 2.419 52 S HA -0.204 4.266 4.470 0.001 0.000 0.233 52 S C 1.241 175.852 174.600 0.018 0.000 1.016 52 S CA 0.695 58.914 58.200 0.032 0.000 0.974 52 S CB -0.560 62.660 63.200 0.033 0.000 0.786 52 S HN 0.533 nan 8.310 nan 0.000 0.492 53 K N 1.105 121.516 120.400 0.019 0.000 2.505 53 K HA 0.243 4.563 4.320 0.001 0.000 0.192 53 K C 1.145 177.741 176.600 -0.006 0.000 1.025 53 K CA 0.333 56.625 56.287 0.008 0.000 1.086 53 K CB -0.403 32.105 32.500 0.013 0.000 0.840 53 K HN 0.559 nan 8.250 nan 0.000 0.514 54 G N 2.265 111.056 108.800 -0.014 0.000 2.147 54 G HA2 -0.199 3.761 3.960 0.001 0.000 0.244 54 G HA3 -0.199 3.761 3.960 0.001 0.000 0.244 54 G C -0.649 174.222 174.900 -0.049 0.000 1.005 54 G CA 0.018 45.100 45.100 -0.030 0.000 0.713 54 G HN 0.312 nan 8.290 nan 0.000 0.515 55 D N -0.012 120.350 120.400 -0.064 0.000 2.185 55 D HA 0.474 5.115 4.640 0.001 0.000 0.247 55 D C 1.019 177.218 176.300 -0.169 0.000 1.027 55 D CA -0.550 53.397 54.000 -0.088 0.000 0.861 55 D CB 1.403 42.166 40.800 -0.063 0.000 1.202 55 D HN 0.176 nan 8.370 nan 0.000 0.453 56 L N 1.559 122.672 121.223 -0.184 0.000 2.455 56 L HA 0.181 4.522 4.340 0.001 0.000 0.272 56 L C 0.393 177.037 176.870 -0.377 0.000 1.174 56 L CA 0.546 55.209 54.840 -0.294 0.000 0.869 56 L CB 0.206 42.107 42.059 -0.263 0.000 1.130 56 L HN 0.249 nan 8.230 nan 0.000 0.474 57 T N 0.747 114.931 114.554 -0.617 0.000 2.933 57 T HA 0.341 4.692 4.350 0.001 0.000 0.305 57 T C -1.017 173.311 174.700 -0.620 0.000 1.092 57 T CA -0.671 61.044 62.100 -0.642 0.000 1.008 57 T CB 1.085 69.386 68.868 -0.945 0.000 1.102 57 T HN 0.315 nan 8.240 nan 0.000 0.469 58 W N 2.025 123.273 121.300 -0.087 0.000 2.376 58 W HA 0.562 5.222 4.660 0.000 0.000 0.322 58 W C 0.257 176.979 176.519 0.338 0.000 1.160 58 W CA -1.007 56.412 57.345 0.123 0.000 1.218 58 W CB 0.556 30.072 29.460 0.095 0.000 1.205 58 W HN 0.309 nan 8.180 nan 0.000 0.559 59 I N 3.339 124.323 120.570 0.690 0.000 2.556 59 I HA 0.012 4.183 4.170 0.001 0.000 0.284 59 I C 0.380 176.677 176.117 0.300 0.000 1.114 59 I CA -0.488 61.105 61.300 0.489 0.000 1.418 59 I CB 0.382 38.544 38.000 0.270 0.000 1.394 59 I HN 0.349 nan 8.210 nan 0.000 0.552 60 K N 6.624 127.153 120.400 0.216 0.000 2.234 60 K HA 0.271 4.591 4.320 0.001 0.000 0.282 60 K C 1.030 177.631 176.600 0.002 0.000 1.039 60 K CA -0.484 55.876 56.287 0.120 0.000 0.928 60 K CB 1.554 34.138 32.500 0.141 0.000 1.039 60 K HN 0.483 nan 8.250 nan 0.000 0.470 61 L N 2.121 123.266 121.223 -0.130 0.000 2.056 61 L HA -0.154 4.186 4.340 0.001 0.000 0.207 61 L C 0.817 177.409 176.870 -0.463 0.000 1.078 61 L CA 1.515 56.103 54.840 -0.420 0.000 0.749 61 L CB -0.082 41.482 42.059 -0.825 0.000 0.901 61 L HN 0.667 nan 8.230 nan 0.000 0.433 62 Y N -0.437 119.844 120.300 -0.032 0.000 2.801 62 Y HA 0.295 4.846 4.550 0.001 0.000 0.318 62 Y C 0.334 176.235 175.900 0.001 0.000 1.073 62 Y CA -0.270 57.816 58.100 -0.024 0.000 1.360 62 Y CB 0.277 38.720 38.460 -0.028 0.000 1.220 62 Y HN -0.037 nan 8.280 nan 0.000 0.536 63 K N 1.034 121.482 120.400 0.081 0.000 2.468 63 K HA 0.346 4.667 4.320 0.001 0.000 0.252 63 K C -0.811 175.812 176.600 0.039 0.000 0.932 63 K CA -0.850 55.481 56.287 0.073 0.000 0.794 63 K CB 1.300 33.850 32.500 0.083 0.000 1.241 63 K HN 0.031 nan 8.250 nan 0.000 0.428 64 K N 2.203 122.626 120.400 0.039 0.000 2.511 64 K HA -0.040 4.281 4.320 0.001 0.000 0.280 64 K C 1.133 177.741 176.600 0.014 0.000 1.008 64 K CA -0.255 56.047 56.287 0.024 0.000 1.050 64 K CB 0.749 33.265 32.500 0.028 0.000 0.889 64 K HN 0.338 nan 8.250 nan 0.000 0.484 65 V N 3.416 123.329 119.914 -0.002 0.000 2.332 65 V HA -0.281 3.839 4.120 0.001 0.000 0.248 65 V C 2.010 178.099 176.094 -0.008 0.000 1.055 65 V CA 1.647 63.937 62.300 -0.017 0.000 1.038 65 V CB -0.329 31.483 31.823 -0.018 0.000 0.651 65 V HN 0.782 nan 8.190 nan 0.000 0.450 66 M N -0.690 118.914 119.600 0.006 0.000 2.549 66 M HA -0.058 4.422 4.480 0.001 0.000 0.260 66 M C 1.721 178.030 176.300 0.015 0.000 1.076 66 M CA 1.112 56.417 55.300 0.008 0.000 1.090 66 M CB -0.878 31.729 32.600 0.012 0.000 1.418 66 M HN 0.379 nan 8.290 nan 0.000 0.486 67 Q N -0.065 119.748 119.800 0.022 0.000 2.360 67 Q HA 0.095 4.436 4.340 0.001 0.000 0.202 67 Q C 1.090 177.121 176.000 0.051 0.000 0.915 67 Q CA 0.368 56.193 55.803 0.036 0.000 0.943 67 Q CB 0.314 29.076 28.738 0.040 0.000 1.064 67 Q HN 0.638 nan 8.270 nan 0.000 0.511 68 Q N -0.035 119.790 119.800 0.041 0.000 2.247 68 Q HA 0.042 4.383 4.340 0.001 0.000 0.211 68 Q C -0.559 175.512 176.000 0.118 0.000 0.861 68 Q CA -0.026 55.827 55.803 0.083 0.000 0.949 68 Q CB 0.615 29.383 28.738 0.051 0.000 1.115 68 Q HN 0.145 nan 8.270 nan 0.000 0.507 69 D N 0.473 120.913 120.400 0.067 0.000 2.739 69 D HA -0.134 4.506 4.640 0.001 0.000 0.240 69 D C -0.980 175.393 176.300 0.122 0.000 1.114 69 D CA 0.104 54.157 54.000 0.089 0.000 0.695 69 D CB -1.139 39.729 40.800 0.114 0.000 1.078 69 D HN -0.017 nan 8.370 nan 0.000 0.434 70 V N 1.223 121.132 119.914 -0.009 0.000 2.655 70 V HA -0.019 4.101 4.120 0.001 0.000 0.300 70 V C 1.373 177.467 176.094 0.001 0.000 1.044 70 V CA 0.241 62.508 62.300 -0.054 0.000 1.095 70 V CB 1.116 32.784 31.823 -0.259 0.000 0.952 70 V HN 0.357 nan 8.190 nan 0.000 0.485 71 K N 4.866 125.285 120.400 0.031 0.000 2.491 71 K HA -0.028 4.293 4.320 0.001 0.000 0.279 71 K C 0.070 176.640 176.600 -0.051 0.000 1.026 71 K CA 0.184 56.465 56.287 -0.009 0.000 1.070 71 K CB 0.185 32.673 32.500 -0.021 0.000 0.887 71 K HN 0.584 nan 8.250 nan 0.000 0.481 72 K N 4.818 125.197 120.400 -0.035 0.000 2.336 72 K HA 0.053 4.373 4.320 0.001 0.000 0.290 72 K C -0.584 175.986 176.600 -0.050 0.000 1.067 72 K CA 0.326 56.588 56.287 -0.041 0.000 0.962 72 K CB 0.536 33.021 32.500 -0.024 0.000 1.008 72 K HN 0.614 nan 8.250 nan 0.000 0.467 73 E N 1.647 121.806 120.200 -0.068 0.000 2.446 73 E HA 0.263 4.613 4.350 0.001 0.000 0.276 73 E C -1.102 175.458 176.600 -0.066 0.000 0.969 73 E CA -1.078 55.281 56.400 -0.068 0.000 0.800 73 E CB 1.539 31.187 29.700 -0.086 0.000 1.341 73 E HN 0.205 nan 8.360 nan 0.000 0.460 74 N N 2.202 120.867 118.700 -0.057 0.000 2.573 74 N HA 0.314 5.054 4.740 0.001 0.000 0.262 74 N C -2.570 172.908 175.510 -0.054 0.000 1.029 74 N CA -1.458 51.560 53.050 -0.052 0.000 0.882 74 N CB 1.007 39.472 38.487 -0.037 0.000 1.204 74 N HN 0.323 nan 8.380 nan 0.000 0.519 75 P HA 0.328 nan 4.420 nan 0.000 0.278 75 P C -0.131 177.097 177.300 -0.120 0.000 1.266 75 P CA -0.540 62.508 63.100 -0.086 0.000 0.807 75 P CB 1.386 33.030 31.700 -0.094 0.000 1.094 76 L N 1.223 122.362 121.223 -0.139 0.000 2.455 76 L HA 0.073 4.414 4.340 0.001 0.000 0.272 76 L C 1.000 177.638 176.870 -0.387 0.000 1.174 76 L CA 0.008 54.692 54.840 -0.259 0.000 0.869 76 L CB -0.063 41.870 42.059 -0.210 0.000 1.130 76 L HN 0.242 nan 8.230 nan 0.000 0.474 77 Q N 4.352 123.848 119.800 -0.507 0.000 2.303 77 Q HA 0.476 4.817 4.340 0.001 0.000 0.257 77 Q C -1.077 174.546 176.000 -0.628 0.000 0.941 77 Q CA -0.053 55.514 55.803 -0.393 0.000 0.931 77 Q CB 1.716 30.318 28.738 -0.227 0.000 1.215 77 Q HN 0.368 nan 8.270 nan 0.000 0.437 78 F N 0.735 120.682 119.950 -0.004 0.000 2.563 78 F HA 0.447 4.974 4.527 0.001 0.000 0.316 78 F C 0.294 176.116 175.800 0.038 0.000 1.076 78 F CA -0.967 57.058 58.000 0.041 0.000 0.921 78 F CB 2.088 41.120 39.000 0.052 0.000 1.209 78 F HN 0.088 nan 8.300 nan 0.000 0.462 79 K N 2.346 122.894 120.400 0.248 0.000 2.394 79 K HA 0.307 4.627 4.320 0.001 0.000 0.260 79 K C -1.341 175.399 176.600 0.233 0.000 0.967 79 K CA -0.712 55.672 56.287 0.162 0.000 0.855 79 K CB 1.760 34.282 32.500 0.037 0.000 1.101 79 K HN 0.455 nan 8.250 nan 0.000 0.433 80 F N 4.619 124.614 119.950 0.076 0.000 2.471 80 F HA 0.190 4.717 4.527 0.001 0.000 0.365 80 F C -0.106 175.759 175.800 0.109 0.000 1.095 80 F CA 0.185 58.228 58.000 0.071 0.000 1.174 80 F CB 0.342 39.289 39.000 -0.088 0.000 1.105 80 F HN 0.310 nan 8.300 nan 0.000 0.535 81 R N 4.016 124.431 120.500 -0.141 0.000 2.707 81 R HA 0.528 4.869 4.340 0.001 0.000 0.272 81 R C -1.169 175.108 176.300 -0.038 0.000 1.011 81 R CA -1.099 54.982 56.100 -0.032 0.000 0.893 81 R CB 1.566 31.915 30.300 0.080 0.000 1.233 81 R HN 0.637 nan 8.270 nan 0.000 0.464 82 A N 1.917 124.573 122.820 -0.274 0.000 2.484 82 A HA 0.092 4.413 4.320 0.001 0.000 0.268 82 A C 1.099 178.427 177.584 -0.427 0.000 1.114 82 A CA 0.235 51.826 52.037 -0.744 0.000 0.780 82 A CB 0.160 18.266 19.000 -1.491 0.000 1.061 82 A HN 0.750 nan 8.150 nan 0.000 0.505 83 K N 1.906 122.009 120.400 -0.494 0.000 2.314 83 K HA 0.179 4.500 4.320 0.001 0.000 0.198 83 K C -0.881 175.200 176.600 -0.864 0.000 1.045 83 K CA 0.706 56.510 56.287 -0.806 0.000 0.988 83 K CB 0.107 31.704 32.500 -1.506 0.000 0.783 83 K HN 0.655 nan 8.250 nan 0.000 0.484 84 F N -0.219 119.683 119.950 -0.080 0.000 2.556 84 F HA 0.346 4.873 4.527 0.000 0.000 0.314 84 F C -0.757 175.239 175.800 0.326 0.000 1.106 84 F CA -1.244 56.867 58.000 0.186 0.000 0.911 84 F CB 1.177 40.281 39.000 0.174 0.000 1.190 84 F HN -0.225 nan 8.300 nan 0.000 0.448 85 Y N 2.670 123.233 120.300 0.439 0.000 2.387 85 Y HA 0.471 5.022 4.550 0.001 0.000 0.330 85 Y C -2.080 174.001 175.900 0.302 0.000 1.133 85 Y CA -2.614 55.669 58.100 0.306 0.000 1.152 85 Y CB 0.762 39.298 38.460 0.126 0.000 1.215 85 Y HN 0.279 nan 8.280 nan 0.000 0.466 86 P HA 0.088 nan 4.420 nan 0.000 0.272 86 P C -0.120 177.335 177.300 0.259 0.000 1.230 86 P CA -0.073 63.191 63.100 0.273 0.000 0.788 86 P CB 1.254 32.949 31.700 -0.009 0.000 0.949 87 E N -0.169 120.167 120.200 0.228 0.000 2.047 87 E HA -0.132 4.218 4.350 0.001 0.000 0.191 87 E C 0.128 176.814 176.600 0.144 0.000 0.987 87 E CA 1.175 57.695 56.400 0.199 0.000 0.799 87 E CB 0.104 29.886 29.700 0.135 0.000 0.752 87 E HN 0.468 nan 8.360 nan 0.000 0.449 88 D N -0.533 119.918 120.400 0.085 0.000 2.421 88 D HA 0.033 4.673 4.640 0.001 0.000 0.254 88 D C 0.990 177.296 176.300 0.010 0.000 1.238 88 D CA -0.247 53.774 54.000 0.035 0.000 0.919 88 D CB 1.688 42.489 40.800 0.001 0.000 1.152 88 D HN -0.070 nan 8.370 nan 0.000 0.552 89 V N 2.918 122.822 119.914 -0.018 0.000 2.278 89 V HA -0.252 3.869 4.120 0.001 0.000 0.251 89 V C 2.090 178.160 176.094 -0.041 0.000 1.062 89 V CA 2.131 64.389 62.300 -0.070 0.000 1.038 89 V CB -1.277 30.500 31.823 -0.077 0.000 0.646 89 V HN 0.479 nan 8.190 nan 0.000 0.447 90 A N 0.164 122.966 122.820 -0.030 0.000 1.972 90 A HA -0.245 4.075 4.320 0.001 0.000 0.219 90 A C 1.974 179.554 177.584 -0.006 0.000 1.169 90 A CA 2.177 54.201 52.037 -0.023 0.000 0.635 90 A CB -0.816 18.167 19.000 -0.029 0.000 0.810 90 A HN 0.680 nan 8.150 nan 0.000 0.446 91 D N -1.667 118.733 120.400 -0.000 0.000 2.271 91 D HA 0.024 4.665 4.640 0.001 0.000 0.206 91 D C 1.978 178.301 176.300 0.038 0.000 0.967 91 D CA 0.921 54.928 54.000 0.011 0.000 0.867 91 D CB 0.176 40.976 40.800 0.001 0.000 0.960 91 D HN 0.582 nan 8.370 nan 0.000 0.509 92 E N -0.674 119.559 120.200 0.056 0.000 2.110 92 E HA 0.153 4.504 4.350 0.001 0.000 0.193 92 E C 0.209 176.911 176.600 0.171 0.000 0.950 92 E CA -0.101 56.377 56.400 0.130 0.000 0.840 92 E CB 0.407 30.220 29.700 0.188 0.000 0.809 92 E HN 0.188 nan 8.360 nan 0.000 0.465 93 L N 2.527 123.801 121.223 0.084 0.000 2.477 93 L HA 0.057 4.398 4.340 0.001 0.000 0.272 93 L C 1.021 177.957 176.870 0.111 0.000 1.157 93 L CA 0.095 54.989 54.840 0.089 0.000 0.889 93 L CB 0.436 42.476 42.059 -0.031 0.000 1.158 93 L HN 0.200 nan 8.230 nan 0.000 0.473 94 I N 1.303 121.966 120.570 0.156 0.000 2.900 94 I HA 0.018 4.189 4.170 0.001 0.000 0.251 94 I C 0.974 177.148 176.117 0.094 0.000 1.102 94 I CA 0.091 61.467 61.300 0.126 0.000 1.457 94 I CB 0.125 38.219 38.000 0.157 0.000 1.285 94 I HN 0.643 nan 8.210 nan 0.000 0.459 95 Q N 1.324 121.183 119.800 0.099 0.000 2.312 95 Q HA 0.027 4.368 4.340 0.001 0.000 0.236 95 Q C 0.719 176.761 176.000 0.070 0.000 0.965 95 Q CA -0.029 55.817 55.803 0.072 0.000 0.894 95 Q CB 1.518 30.292 28.738 0.059 0.000 1.225 95 Q HN 0.197 nan 8.270 nan 0.000 0.478 96 E N 1.099 121.330 120.200 0.051 0.000 2.106 96 E HA -0.209 4.142 4.350 0.001 0.000 0.192 96 E C 1.605 178.241 176.600 0.059 0.000 0.984 96 E CA 0.722 57.149 56.400 0.045 0.000 0.806 96 E CB 0.133 29.851 29.700 0.031 0.000 0.750 96 E HN 0.629 nan 8.360 nan 0.000 0.458 97 I N 0.893 121.496 120.570 0.055 0.000 2.286 97 I HA -0.212 3.958 4.170 0.001 0.000 0.248 97 I C 2.000 178.162 176.117 0.074 0.000 1.115 97 I CA 1.602 62.932 61.300 0.050 0.000 1.392 97 I CB -0.406 37.600 38.000 0.009 0.000 1.065 97 I HN 0.053 nan 8.210 nan 0.000 0.418 98 T N 0.945 115.567 114.554 0.113 0.000 2.821 98 T HA -0.161 4.189 4.350 0.001 0.000 0.267 98 T C 1.825 176.706 174.700 0.303 0.000 1.046 98 T CA 1.666 63.915 62.100 0.248 0.000 1.139 98 T CB -0.513 68.533 68.868 0.296 0.000 0.871 98 T HN 0.367 nan 8.240 nan 0.000 0.454 99 L N 1.492 122.829 121.223 0.190 0.000 2.046 99 L HA 0.008 4.348 4.340 0.001 0.000 0.208 99 L C 2.351 179.345 176.870 0.207 0.000 1.077 99 L CA 1.887 56.826 54.840 0.165 0.000 0.747 99 L CB -0.503 41.602 42.059 0.077 0.000 0.896 99 L HN 0.089 nan 8.230 nan 0.000 0.432 100 K N -0.556 119.940 120.400 0.160 0.000 2.026 100 K HA -0.152 4.168 4.320 0.001 0.000 0.208 100 K C 2.078 178.812 176.600 0.223 0.000 1.048 100 K CA 1.831 58.225 56.287 0.178 0.000 0.929 100 K CB -0.266 32.302 32.500 0.114 0.000 0.713 100 K HN 0.439 nan 8.250 nan 0.000 0.439 101 L N -0.016 121.309 121.223 0.170 0.000 2.083 101 L HA -0.148 4.192 4.340 0.001 0.000 0.209 101 L C 2.349 179.272 176.870 0.088 0.000 1.083 101 L CA 1.111 56.020 54.840 0.114 0.000 0.752 101 L CB -0.443 41.662 42.059 0.076 0.000 0.899 101 L HN 0.172 nan 8.230 nan 0.000 0.433 102 F N -0.613 119.406 119.950 0.116 0.000 2.084 102 F HA -0.283 4.245 4.527 0.001 0.000 0.296 102 F C 2.691 178.536 175.800 0.076 0.000 1.111 102 F CA 1.788 59.811 58.000 0.038 0.000 1.224 102 F CB -0.557 38.430 39.000 -0.022 0.000 0.991 102 F HN -0.018 nan 8.300 nan 0.000 0.471 103 Y N 0.785 121.203 120.300 0.196 0.000 2.139 103 Y HA -0.295 4.255 4.550 0.001 0.000 0.282 103 Y C 1.921 177.784 175.900 -0.061 0.000 1.179 103 Y CA 1.770 59.889 58.100 0.032 0.000 1.161 103 Y CB -0.739 37.690 38.460 -0.052 0.000 0.970 103 Y HN 0.037 nan 8.280 nan 0.000 0.511 104 L N 0.088 121.181 121.223 -0.216 0.000 2.072 104 L HA -0.194 4.147 4.340 0.001 0.000 0.205 104 L C 2.738 179.481 176.870 -0.212 0.000 1.079 104 L CA 1.788 56.426 54.840 -0.336 0.000 0.752 104 L CB -0.667 41.327 42.059 -0.109 0.000 0.906 104 L HN 0.336 nan 8.230 nan 0.000 0.436 105 Q N -0.018 119.718 119.800 -0.107 0.000 2.119 105 Q HA -0.154 4.186 4.340 0.001 0.000 0.201 105 Q C 2.158 178.151 176.000 -0.012 0.000 0.972 105 Q CA 1.502 57.257 55.803 -0.079 0.000 0.847 105 Q CB 0.203 28.853 28.738 -0.146 0.000 0.903 105 Q HN 0.332 nan 8.270 nan 0.000 0.433 106 V N 1.083 121.035 119.914 0.064 0.000 2.407 106 V HA -0.198 3.923 4.120 0.001 0.000 0.245 106 V C 2.355 178.528 176.094 0.132 0.000 1.041 106 V CA 1.903 64.324 62.300 0.200 0.000 1.040 106 V CB -0.581 31.498 31.823 0.426 0.000 0.671 106 V HN 0.372 nan 8.190 nan 0.000 0.455 107 K N 0.847 121.228 120.400 -0.032 0.000 2.074 107 K HA -0.302 4.019 4.320 0.001 0.000 0.209 107 K C 1.977 178.534 176.600 -0.071 0.000 1.048 107 K CA 2.338 58.565 56.287 -0.100 0.000 0.926 107 K CB -0.281 31.852 32.500 -0.610 0.000 0.713 107 K HN 0.480 nan 8.250 nan 0.000 0.444 108 N N -0.047 118.589 118.700 -0.106 0.000 2.166 108 N HA -0.119 4.621 4.740 0.001 0.000 0.186 108 N C 1.483 176.968 175.510 -0.041 0.000 1.019 108 N CA 1.407 54.410 53.050 -0.079 0.000 0.856 108 N CB -0.112 38.326 38.487 -0.082 0.000 0.993 108 N HN 0.334 nan 8.380 nan 0.000 0.426 109 A N 0.261 123.076 122.820 -0.008 0.000 1.898 109 A HA -0.013 4.307 4.320 0.001 0.000 0.216 109 A C 2.227 179.805 177.584 -0.010 0.000 1.181 109 A CA 0.924 52.961 52.037 0.000 0.000 0.620 109 A CB -0.619 18.403 19.000 0.036 0.000 0.819 109 A HN 0.370 nan 8.150 nan 0.000 0.442 110 I N -0.356 120.222 120.570 0.013 0.000 2.202 110 I HA -0.229 3.942 4.170 0.001 0.000 0.242 110 I C 2.296 178.379 176.117 -0.057 0.000 1.091 110 I CA 1.068 62.358 61.300 -0.017 0.000 1.368 110 I CB -0.254 37.762 38.000 0.026 0.000 1.058 110 I HN 0.269 nan 8.210 nan 0.000 0.410 111 L N 0.208 121.403 121.223 -0.046 0.000 2.156 111 L HA -0.129 4.212 4.340 0.001 0.000 0.208 111 L C 2.444 179.269 176.870 -0.075 0.000 1.095 111 L CA 1.401 56.198 54.840 -0.071 0.000 0.770 111 L CB -0.454 41.563 42.059 -0.071 0.000 0.914 111 L HN 0.358 nan 8.230 nan 0.000 0.439 112 S N -2.757 112.905 115.700 -0.063 0.000 2.575 112 S HA -0.045 4.426 4.470 0.001 0.000 0.215 112 S C 0.796 175.359 174.600 -0.062 0.000 0.966 112 S CA 0.112 58.276 58.200 -0.061 0.000 0.911 112 S CB 0.128 63.295 63.200 -0.054 0.000 0.780 112 S HN 0.419 nan 8.310 nan 0.000 0.514 113 D N 1.105 121.464 120.400 -0.069 0.000 3.041 113 D HA -0.162 4.478 4.640 0.001 0.000 0.220 113 D C 0.668 176.929 176.300 -0.065 0.000 1.157 113 D CA 0.980 54.938 54.000 -0.070 0.000 0.876 113 D CB -1.584 39.178 40.800 -0.063 0.000 1.107 113 D HN 0.707 nan 8.370 nan 0.000 0.422 114 E N -0.501 119.662 120.200 -0.062 0.000 2.110 114 E HA -0.037 4.314 4.350 0.001 0.000 0.193 114 E C 1.010 177.568 176.600 -0.070 0.000 0.988 114 E CA 0.731 57.089 56.400 -0.069 0.000 0.804 114 E CB 0.378 30.047 29.700 -0.052 0.000 0.745 114 E HN 0.471 nan 8.360 nan 0.000 0.458 115 I N 0.729 121.273 120.570 -0.043 0.000 2.404 115 I HA 0.104 4.274 4.170 0.001 0.000 0.293 115 I C -0.525 175.583 176.117 -0.015 0.000 0.992 115 I CA -0.974 60.316 61.300 -0.016 0.000 1.149 115 I CB 1.215 39.225 38.000 0.018 0.000 1.315 115 I HN -0.009 nan 8.210 nan 0.000 0.446 116 Y N 6.614 126.853 120.300 -0.101 0.000 2.544 116 Y HA 0.188 4.739 4.550 0.001 0.000 0.330 116 Y C -0.182 175.645 175.900 -0.121 0.000 1.136 116 Y CA 0.148 58.179 58.100 -0.115 0.000 1.417 116 Y CB 0.741 39.124 38.460 -0.128 0.000 1.229 116 Y HN 0.593 nan 8.280 nan 0.000 0.532 117 C N 10.949 129.771 119.300 -0.797 0.000 2.446 117 C HA 0.573 5.034 4.460 0.001 0.000 0.329 117 C C -2.548 171.873 174.990 -0.948 0.000 1.166 117 C CA -2.124 56.496 59.018 -0.663 0.000 1.341 117 C CB 0.656 28.185 27.740 -0.351 0.000 1.970 117 C HN 0.807 nan 8.230 nan 0.000 0.452 118 P HA 0.285 nan 4.420 nan 0.000 0.273 118 P C -2.339 174.810 177.300 -0.252 0.000 1.250 118 P CA -0.805 62.011 63.100 -0.474 0.000 0.793 118 P CB 0.363 31.924 31.700 -0.232 0.000 1.011 119 P HA -0.200 nan 4.420 nan 0.000 0.214 119 P C 1.685 178.942 177.300 -0.071 0.000 1.163 119 P CA 1.747 64.815 63.100 -0.052 0.000 0.883 119 P CB -0.264 31.515 31.700 0.132 0.000 0.788 120 E N -0.482 119.699 120.200 -0.032 0.000 2.070 120 E HA -0.190 4.160 4.350 0.001 0.000 0.197 120 E C 1.640 178.159 176.600 -0.135 0.000 1.004 120 E CA 2.009 58.369 56.400 -0.066 0.000 0.805 120 E CB -2.053 27.625 29.700 -0.036 0.000 0.744 120 E HN 0.188 nan 8.360 nan 0.000 0.451 121 T N 1.205 115.676 114.554 -0.138 0.000 2.770 121 T HA -0.068 4.282 4.350 0.001 0.000 0.263 121 T C 2.210 176.796 174.700 -0.190 0.000 1.039 121 T CA 1.461 63.461 62.100 -0.167 0.000 1.142 121 T CB -0.310 68.458 68.868 -0.168 0.000 0.868 121 T HN 0.181 nan 8.240 nan 0.000 0.435 122 S N 0.929 116.509 115.700 -0.201 0.000 2.368 122 S HA -0.157 4.314 4.470 0.001 0.000 0.226 122 S C 2.290 176.797 174.600 -0.155 0.000 1.044 122 S CA 1.350 59.433 58.200 -0.194 0.000 1.062 122 S CB -0.684 62.380 63.200 -0.228 0.000 0.931 122 S HN 0.280 nan 8.310 nan 0.000 0.440 123 V N 1.634 121.461 119.914 -0.146 0.000 2.255 123 V HA -0.160 3.961 4.120 0.001 0.000 0.247 123 V C 2.262 178.281 176.094 -0.126 0.000 1.051 123 V CA 1.809 64.051 62.300 -0.097 0.000 1.018 123 V CB -0.720 31.082 31.823 -0.035 0.000 0.641 123 V HN 0.375 nan 8.190 nan 0.000 0.445 124 L N -0.371 120.721 121.223 -0.219 0.000 2.042 124 L HA -0.169 4.172 4.340 0.001 0.000 0.210 124 L C 2.210 179.084 176.870 0.006 0.000 1.076 124 L CA 1.854 56.564 54.840 -0.216 0.000 0.749 124 L CB -0.630 41.288 42.059 -0.236 0.000 0.893 124 L HN 0.209 nan 8.230 nan 0.000 0.432 125 L N -0.788 120.409 121.223 -0.043 0.000 2.042 125 L HA -0.223 4.118 4.340 0.001 0.000 0.210 125 L C 2.665 179.677 176.870 0.237 0.000 1.076 125 L CA 1.273 56.082 54.840 -0.051 0.000 0.749 125 L CB -0.897 40.915 42.059 -0.412 0.000 0.893 125 L HN 0.398 nan 8.230 nan 0.000 0.432 126 A N 0.072 122.970 122.820 0.130 0.000 1.940 126 A HA -0.262 4.058 4.320 0.001 0.000 0.219 126 A C 2.529 180.196 177.584 0.138 0.000 1.176 126 A CA 2.236 54.353 52.037 0.134 0.000 0.631 126 A CB -0.745 18.277 19.000 0.037 0.000 0.814 126 A HN 0.559 nan 8.150 nan 0.000 0.446 127 S N -1.535 114.250 115.700 0.143 0.000 2.383 127 S HA -0.179 4.292 4.470 0.001 0.000 0.227 127 S C 1.908 176.608 174.600 0.167 0.000 1.026 127 S CA 1.344 59.643 58.200 0.165 0.000 0.981 127 S CB -0.877 62.461 63.200 0.230 0.000 0.818 127 S HN 0.597 nan 8.310 nan 0.000 0.472 128 Y N 2.220 122.675 120.300 0.258 0.000 2.200 128 Y HA 0.030 4.581 4.550 0.001 0.000 0.290 128 Y C 3.065 179.044 175.900 0.132 0.000 1.137 128 Y CA 0.787 58.962 58.100 0.124 0.000 1.163 128 Y CB -0.714 37.807 38.460 0.103 0.000 0.988 128 Y HN 0.401 nan 8.280 nan 0.000 0.518 129 A N 0.100 123.148 122.820 0.379 0.000 1.892 129 A HA -0.250 4.071 4.320 0.001 0.000 0.218 129 A C 2.349 179.939 177.584 0.010 0.000 1.188 129 A CA 2.551 54.725 52.037 0.229 0.000 0.631 129 A CB -1.498 17.621 19.000 0.199 0.000 0.822 129 A HN 0.389 nan 8.150 nan 0.000 0.447 130 V N -2.191 117.648 119.914 -0.124 0.000 2.515 130 V HA -0.237 3.883 4.120 0.001 0.000 0.250 130 V C 2.377 178.176 176.094 -0.493 0.000 1.058 130 V CA 2.480 64.549 62.300 -0.385 0.000 1.064 130 V CB -1.118 30.308 31.823 -0.662 0.000 0.675 130 V HN 0.555 nan 8.190 nan 0.000 0.461 131 Q N 1.432 121.036 119.800 -0.328 0.000 2.079 131 Q HA -0.017 4.324 4.340 0.001 0.000 0.200 131 Q C 2.217 178.235 176.000 0.029 0.000 0.974 131 Q CA 2.378 58.185 55.803 0.007 0.000 0.840 131 Q CB -0.787 28.098 28.738 0.246 0.000 0.898 131 Q HN 0.709 nan 8.270 nan 0.000 0.430 132 A N 0.538 123.331 122.820 -0.045 0.000 1.892 132 A HA -0.249 4.071 4.320 0.001 0.000 0.218 132 A C 2.172 179.682 177.584 -0.123 0.000 1.188 132 A CA 1.895 53.851 52.037 -0.135 0.000 0.631 132 A CB -0.631 18.174 19.000 -0.325 0.000 0.822 132 A HN 0.426 nan 8.150 nan 0.000 0.447 133 R N -2.284 118.106 120.500 -0.182 0.000 2.080 133 R HA -0.043 4.298 4.340 0.001 0.000 0.222 133 R C 1.537 177.666 176.300 -0.284 0.000 1.107 133 R CA 1.322 57.234 56.100 -0.315 0.000 0.980 133 R CB -0.082 29.866 30.300 -0.585 0.000 0.879 133 R HN 0.639 nan 8.270 nan 0.000 0.439 134 H N -1.056 118.053 119.070 0.065 0.000 2.755 134 H HA 0.295 4.852 4.556 0.001 0.000 0.273 134 H C 0.926 176.433 175.328 0.299 0.000 1.055 134 H CA 0.583 56.759 56.048 0.213 0.000 1.191 134 H CB 0.961 30.870 29.762 0.245 0.000 1.536 134 H HN 0.454 nan 8.280 nan 0.000 0.529 135 G N 1.530 110.527 108.800 0.329 0.000 2.601 135 G HA2 -0.269 3.691 3.960 0.001 0.000 0.252 135 G HA3 -0.269 3.691 3.960 0.001 0.000 0.252 135 G C -0.622 174.606 174.900 0.546 0.000 1.294 135 G CA -0.211 45.096 45.100 0.346 0.000 0.912 135 G HN 0.297 nan 8.290 nan 0.000 0.574 136 D N 0.827 121.457 120.400 0.383 0.000 2.455 136 D HA 0.391 5.032 4.640 0.001 0.000 0.241 136 D C 0.956 177.365 176.300 0.182 0.000 1.138 136 D CA 0.457 54.635 54.000 0.296 0.000 0.877 136 D CB 0.488 41.369 40.800 0.135 0.000 1.187 136 D HN 0.655 nan 8.370 nan 0.000 0.451 137 H N 1.985 120.766 119.070 -0.482 0.000 2.897 137 H HA 0.115 4.672 4.556 0.001 0.000 0.347 137 H C -0.390 174.730 175.328 -0.346 0.000 1.068 137 H CA 0.398 55.802 56.048 -1.074 0.000 1.426 137 H CB 0.455 29.175 29.762 -1.737 0.000 1.410 137 H HN 0.160 nan 8.280 nan 0.000 0.597 138 N N 5.415 123.688 118.700 -0.710 0.000 2.572 138 N HA 0.152 4.893 4.740 0.001 0.000 0.287 138 N C -2.450 172.706 175.510 -0.589 0.000 1.136 138 N CA -1.944 50.819 53.050 -0.479 0.000 0.900 138 N CB 1.702 40.002 38.487 -0.312 0.000 1.484 138 N HN 0.361 nan 8.380 nan 0.000 0.526 139 P HA -0.019 nan 4.420 nan 0.000 0.223 139 P C 0.916 178.102 177.300 -0.189 0.000 1.151 139 P CA 0.617 63.573 63.100 -0.241 0.000 0.787 139 P CB 0.342 31.997 31.700 -0.075 0.000 0.788 140 A N -0.200 122.500 122.820 -0.199 0.000 1.933 140 A HA -0.069 4.251 4.320 0.001 0.000 0.218 140 A C 2.311 179.776 177.584 -0.198 0.000 1.175 140 A CA 1.783 53.722 52.037 -0.163 0.000 0.628 140 A CB -1.208 17.706 19.000 -0.144 0.000 0.814 140 A HN 0.142 nan 8.150 nan 0.000 0.444 141 V N -1.426 118.293 119.914 -0.325 0.000 3.307 141 V HA 0.070 4.190 4.120 0.001 0.000 0.244 141 V C 0.213 176.015 176.094 -0.487 0.000 1.196 141 V CA 0.262 62.321 62.300 -0.403 0.000 1.132 141 V CB -0.355 31.148 31.823 -0.533 0.000 0.875 141 V HN 0.642 nan 8.190 nan 0.000 0.468 142 H N 0.519 119.345 119.070 -0.406 0.000 2.820 142 H HA 0.524 5.081 4.556 0.001 0.000 0.278 142 H C 0.738 175.957 175.328 -0.180 0.000 1.142 142 H CA 0.263 56.017 56.048 -0.490 0.000 1.346 142 H CB 0.681 29.966 29.762 -0.795 0.000 1.438 142 H HN 0.399 nan 8.280 nan 0.000 0.473 143 G N 3.353 112.206 108.800 0.088 0.000 2.621 143 G HA2 0.194 4.155 3.960 0.001 0.000 0.271 143 G HA3 0.194 4.155 3.960 0.001 0.000 0.271 143 G C -2.155 172.860 174.900 0.192 0.000 1.236 143 G CA -1.257 43.912 45.100 0.115 0.000 0.958 143 G HN 0.379 nan 8.290 nan 0.000 0.512 144 P HA 0.228 nan 4.420 nan 0.000 0.275 144 P C 0.656 178.057 177.300 0.168 0.000 1.228 144 P CA 0.965 64.157 63.100 0.153 0.000 0.786 144 P CB 1.122 32.882 31.700 0.099 0.000 0.927 145 G N 2.061 110.966 108.800 0.176 0.000 2.155 145 G HA2 -0.359 3.602 3.960 0.001 0.000 0.257 145 G HA3 -0.359 3.602 3.960 0.001 0.000 0.257 145 G C 0.446 175.445 174.900 0.165 0.000 0.983 145 G CA 0.265 45.452 45.100 0.146 0.000 0.676 145 G HN 0.521 nan 8.290 nan 0.000 0.528 146 F N 0.503 120.517 119.950 0.107 0.000 2.171 146 F HA 0.164 4.691 4.527 0.001 0.000 0.300 146 F C 2.079 177.908 175.800 0.049 0.000 1.090 146 F CA 1.830 59.888 58.000 0.096 0.000 1.293 146 F CB -0.013 39.087 39.000 0.166 0.000 1.013 146 F HN 0.192 nan 8.300 nan 0.000 0.486 147 L N 0.144 121.405 121.223 0.063 0.000 2.645 147 L HA 0.172 4.513 4.340 0.001 0.000 0.234 147 L C 2.318 179.164 176.870 -0.041 0.000 1.165 147 L CA 0.306 55.125 54.840 -0.035 0.000 0.944 147 L CB -0.961 41.176 42.059 0.130 0.000 1.149 147 L HN 0.209 nan 8.230 nan 0.000 0.446 148 A N 0.657 123.448 122.820 -0.049 0.000 1.948 148 A HA -0.214 4.107 4.320 0.001 0.000 0.220 148 A C 1.963 179.524 177.584 -0.038 0.000 1.177 148 A CA 1.841 53.866 52.037 -0.020 0.000 0.636 148 A CB -0.276 18.716 19.000 -0.014 0.000 0.815 148 A HN 0.480 nan 8.150 nan 0.000 0.449 149 N N 0.028 118.681 118.700 -0.079 0.000 2.254 149 N HA 0.053 4.793 4.740 0.001 0.000 0.190 149 N C -0.806 174.676 175.510 -0.047 0.000 1.107 149 N CA 0.112 53.125 53.050 -0.061 0.000 0.869 149 N CB -0.007 38.437 38.487 -0.072 0.000 0.983 149 N HN 0.410 nan 8.380 nan 0.000 0.487 150 D N 0.738 121.112 120.400 -0.043 0.000 2.382 150 D HA 0.051 4.692 4.640 0.001 0.000 0.245 150 D C 0.436 176.717 176.300 -0.031 0.000 1.120 150 D CA 0.122 54.111 54.000 -0.018 0.000 0.890 150 D CB 1.193 42.003 40.800 0.017 0.000 1.201 150 D HN -0.120 nan 8.370 nan 0.000 0.433 151 R N 3.422 123.896 120.500 -0.043 0.000 2.248 151 R HA 0.188 4.528 4.340 0.001 0.000 0.337 151 R C 0.497 176.756 176.300 -0.067 0.000 1.106 151 R CA -0.241 55.824 56.100 -0.058 0.000 0.959 151 R CB -0.049 30.213 30.300 -0.063 0.000 1.075 151 R HN 0.523 nan 8.270 nan 0.000 0.480 152 L N 3.896 125.069 121.223 -0.083 0.000 2.062 152 L HA 0.137 4.478 4.340 0.001 0.000 0.202 152 L C 0.516 177.301 176.870 -0.141 0.000 1.079 152 L CA 0.760 55.543 54.840 -0.094 0.000 0.755 152 L CB -0.108 41.891 42.059 -0.100 0.000 0.913 152 L HN 0.449 nan 8.230 nan 0.000 0.445 153 L N -1.463 119.621 121.223 -0.232 0.000 2.279 153 L HA 0.466 4.807 4.340 0.001 0.000 0.262 153 L C -2.421 174.307 176.870 -0.236 0.000 1.019 153 L CA -2.031 52.634 54.840 -0.292 0.000 0.823 153 L CB 1.199 42.934 42.059 -0.540 0.000 1.358 153 L HN -0.198 nan 8.230 nan 0.000 0.432 154 P HA 0.072 nan 4.420 nan 0.000 0.271 154 P C -0.105 177.099 177.300 -0.161 0.000 1.218 154 P CA -0.307 62.693 63.100 -0.168 0.000 0.780 154 P CB 0.727 32.327 31.700 -0.168 0.000 0.901 155 Q N 2.373 122.106 119.800 -0.111 0.000 2.077 155 Q HA -0.287 4.054 4.340 0.001 0.000 0.206 155 Q C 2.134 178.103 176.000 -0.053 0.000 0.989 155 Q CA 1.707 57.463 55.803 -0.079 0.000 0.853 155 Q CB -0.126 28.581 28.738 -0.052 0.000 0.907 155 Q HN 0.323 nan 8.270 nan 0.000 0.418 156 R N -0.408 120.063 120.500 -0.048 0.000 2.133 156 R HA -0.207 4.133 4.340 0.001 0.000 0.245 156 R C 1.987 178.297 176.300 0.016 0.000 1.137 156 R CA 2.158 58.249 56.100 -0.014 0.000 0.947 156 R CB -0.386 29.899 30.300 -0.024 0.000 0.865 156 R HN 0.229 nan 8.270 nan 0.000 0.437 157 V N 0.521 120.410 119.914 -0.041 0.000 2.667 157 V HA -0.169 3.951 4.120 0.001 0.000 0.252 157 V C 2.367 178.491 176.094 0.048 0.000 1.065 157 V CA 1.985 64.279 62.300 -0.010 0.000 1.083 157 V CB -0.334 31.365 31.823 -0.206 0.000 0.692 157 V HN 0.721 nan 8.190 nan 0.000 0.468 158 T N -2.888 111.637 114.554 -0.050 0.000 2.976 158 T HA -0.103 4.248 4.350 0.001 0.000 0.257 158 T C 1.497 176.319 174.700 0.204 0.000 1.051 158 T CA 0.948 63.089 62.100 0.067 0.000 1.141 158 T CB -0.313 68.504 68.868 -0.084 0.000 0.881 158 T HN 0.346 nan 8.240 nan 0.000 0.461 159 D N 2.356 122.826 120.400 0.116 0.000 2.263 159 D HA -0.097 4.544 4.640 0.001 0.000 0.208 159 D C 2.120 178.492 176.300 0.120 0.000 0.971 159 D CA 1.141 55.202 54.000 0.102 0.000 0.867 159 D CB -0.246 40.587 40.800 0.056 0.000 0.929 159 D HN 0.834 nan 8.370 nan 0.000 0.492 160 Q N -0.393 119.506 119.800 0.165 0.000 2.247 160 Q HA 0.053 4.394 4.340 0.001 0.000 0.204 160 Q C -0.030 175.964 176.000 -0.011 0.000 0.872 160 Q CA 0.071 55.919 55.803 0.077 0.000 0.951 160 Q CB 0.418 29.179 28.738 0.039 0.000 1.099 160 Q HN 0.273 nan 8.270 nan 0.000 0.501 161 H N 1.010 120.186 119.070 0.176 0.000 2.622 161 H HA 0.338 4.894 4.556 0.001 0.000 0.363 161 H C -0.890 174.506 175.328 0.114 0.000 1.151 161 H CA -0.929 55.219 56.048 0.167 0.000 1.184 161 H CB 1.872 31.815 29.762 0.301 0.000 1.643 161 H HN 0.081 nan 8.280 nan 0.000 0.531 162 K N 3.004 123.480 120.400 0.127 0.000 2.363 162 K HA 0.343 4.663 4.320 0.001 0.000 0.240 162 K C -0.334 176.261 176.600 -0.009 0.000 1.169 162 K CA 0.047 56.368 56.287 0.058 0.000 1.131 162 K CB 0.248 32.760 32.500 0.020 0.000 1.771 162 K HN 0.297 nan 8.250 nan 0.000 0.380 163 M N 1.616 121.203 119.600 -0.022 0.000 2.263 163 M HA 0.146 4.626 4.480 0.001 0.000 0.295 163 M C -0.232 176.002 176.300 -0.111 0.000 1.028 163 M CA -0.695 54.455 55.300 -0.250 0.000 0.921 163 M CB 2.372 34.459 32.600 -0.855 0.000 1.601 163 M HN 0.383 nan 8.290 nan 0.000 0.440 164 S N 1.743 117.393 115.700 -0.084 0.000 2.579 164 S HA 0.178 4.649 4.470 0.001 0.000 0.275 164 S C 0.924 175.586 174.600 0.104 0.000 1.345 164 S CA -0.351 57.865 58.200 0.027 0.000 1.031 164 S CB 1.357 64.564 63.200 0.012 0.000 0.892 164 S HN 0.862 nan 8.310 nan 0.000 0.529 165 R N 1.523 122.141 120.500 0.197 0.000 2.112 165 R HA -0.210 4.131 4.340 0.001 0.000 0.242 165 R C 2.137 178.559 176.300 0.202 0.000 1.137 165 R CA 2.567 58.822 56.100 0.258 0.000 0.944 165 R CB -1.270 29.125 30.300 0.159 0.000 0.857 165 R HN 0.948 nan 8.270 nan 0.000 0.435 166 E N -0.146 120.124 120.200 0.117 0.000 2.086 166 E HA -0.276 4.075 4.350 0.001 0.000 0.200 166 E C 1.822 178.466 176.600 0.074 0.000 1.012 166 E CA 2.030 58.483 56.400 0.088 0.000 0.812 166 E CB -0.079 29.653 29.700 0.054 0.000 0.743 166 E HN 0.573 nan 8.360 nan 0.000 0.453 167 E N -0.547 119.660 120.200 0.012 0.000 2.051 167 E HA -0.198 4.153 4.350 0.001 0.000 0.192 167 E C 1.809 178.399 176.600 -0.016 0.000 0.991 167 E CA 1.407 57.767 56.400 -0.067 0.000 0.799 167 E CB -0.263 29.313 29.700 -0.207 0.000 0.748 167 E HN 0.424 nan 8.360 nan 0.000 0.449 168 W N 1.555 122.876 121.300 0.034 0.000 2.321 168 W HA -0.200 4.460 4.660 0.001 0.000 0.306 168 W C 2.261 178.814 176.519 0.058 0.000 1.217 168 W CA 0.940 58.304 57.345 0.033 0.000 1.257 168 W CB -0.067 29.402 29.460 0.015 0.000 1.145 168 W HN 0.130 nan 8.180 nan 0.000 0.509 169 E N -0.237 120.149 120.200 0.309 0.000 2.058 169 E HA -0.309 4.041 4.350 0.001 0.000 0.194 169 E C 1.968 178.687 176.600 0.198 0.000 0.997 169 E CA 1.483 58.022 56.400 0.232 0.000 0.801 169 E CB -0.391 29.424 29.700 0.191 0.000 0.746 169 E HN 0.189 nan 8.360 nan 0.000 0.450 170 Q N 0.853 120.737 119.800 0.141 0.000 2.050 170 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 170 Q C 2.202 178.252 176.000 0.084 0.000 0.980 170 Q CA 1.917 57.770 55.803 0.082 0.000 0.840 170 Q CB -0.480 28.279 28.738 0.034 0.000 0.898 170 Q HN 0.130 nan 8.270 nan 0.000 0.424 171 S N -0.776 114.997 115.700 0.120 0.000 2.359 171 S HA -0.136 4.335 4.470 0.001 0.000 0.224 171 S C 1.872 176.654 174.600 0.302 0.000 1.035 171 S CA 1.490 59.796 58.200 0.177 0.000 1.018 171 S CB -0.381 62.938 63.200 0.197 0.000 0.876 171 S HN 0.489 nan 8.310 nan 0.000 0.448 172 I N 1.096 121.853 120.570 0.312 0.000 2.394 172 I HA -0.111 4.060 4.170 0.001 0.000 0.251 172 I C 2.459 178.765 176.117 0.315 0.000 1.136 172 I CA 1.309 62.805 61.300 0.326 0.000 1.425 172 I CB -0.582 37.569 38.000 0.250 0.000 1.079 172 I HN 0.338 nan 8.210 nan 0.000 0.425 173 T N 0.519 115.218 114.554 0.242 0.000 2.821 173 T HA -0.098 4.253 4.350 0.001 0.000 0.267 173 T C 1.727 176.383 174.700 -0.074 0.000 1.046 173 T CA 1.117 63.314 62.100 0.161 0.000 1.139 173 T CB -0.301 68.590 68.868 0.037 0.000 0.871 173 T HN 0.320 nan 8.240 nan 0.000 0.454 174 N N 0.488 119.124 118.700 -0.106 0.000 2.104 174 N HA -0.107 4.633 4.740 0.001 0.000 0.190 174 N C 1.584 176.873 175.510 -0.368 0.000 1.024 174 N CA 1.238 54.111 53.050 -0.294 0.000 0.853 174 N CB -0.377 37.883 38.487 -0.379 0.000 1.008 174 N HN 0.577 nan 8.380 nan 0.000 0.424 175 W N 0.281 121.523 121.300 -0.097 0.000 2.418 175 W HA -0.056 4.604 4.660 0.001 0.000 0.292 175 W C 2.221 178.528 176.519 -0.353 0.000 1.213 175 W CA -0.297 56.933 57.345 -0.192 0.000 1.283 175 W CB -0.685 28.713 29.460 -0.103 0.000 1.119 175 W HN 0.148 nan 8.180 nan 0.000 0.542 176 W N 1.722 122.948 121.300 -0.124 0.000 2.321 176 W HA -0.267 4.393 4.660 0.001 0.000 0.306 176 W C 1.905 178.291 176.519 -0.221 0.000 1.217 176 W CA 1.939 59.202 57.345 -0.138 0.000 1.257 176 W CB -0.993 28.463 29.460 -0.006 0.000 1.145 176 W HN 0.065 nan 8.180 nan 0.000 0.509 177 Q N -0.426 119.231 119.800 -0.238 0.000 2.170 177 Q HA -0.195 4.145 4.340 0.001 0.000 0.203 177 Q C 1.882 177.758 176.000 -0.206 0.000 0.976 177 Q CA 1.601 57.212 55.803 -0.320 0.000 0.858 177 Q CB -0.321 28.200 28.738 -0.362 0.000 0.907 177 Q HN 0.257 nan 8.270 nan 0.000 0.433 178 E N -0.052 119.988 120.200 -0.266 0.000 2.338 178 E HA -0.133 4.218 4.350 0.001 0.000 0.197 178 E C 0.961 177.540 176.600 -0.035 0.000 1.007 178 E CA 0.818 57.111 56.400 -0.179 0.000 0.849 178 E CB 0.047 29.654 29.700 -0.155 0.000 0.774 178 E HN 0.516 nan 8.360 nan 0.000 0.506 179 H N 0.041 119.175 119.070 0.107 0.000 2.517 179 H HA 0.214 4.770 4.556 0.001 0.000 0.282 179 H C 0.248 175.668 175.328 0.153 0.000 1.023 179 H CA -0.184 55.955 56.048 0.151 0.000 1.169 179 H CB -0.186 29.683 29.762 0.179 0.000 1.454 179 H HN -0.071 nan 8.280 nan 0.000 0.556 180 R N 0.261 120.863 120.500 0.171 0.000 2.537 180 R HA 0.145 4.485 4.340 0.001 0.000 0.281 180 R C 1.192 177.570 176.300 0.128 0.000 0.988 180 R CA 1.233 57.407 56.100 0.122 0.000 1.077 180 R CB 0.156 30.480 30.300 0.041 0.000 0.932 180 R HN 0.575 nan 8.270 nan 0.000 0.409 181 G N 2.475 111.351 108.800 0.127 0.000 2.254 181 G HA2 -0.300 3.660 3.960 0.001 0.000 0.225 181 G HA3 -0.300 3.660 3.960 0.001 0.000 0.225 181 G C 0.228 175.198 174.900 0.115 0.000 1.003 181 G CA -0.093 45.069 45.100 0.103 0.000 0.622 181 G HN 0.560 nan 8.290 nan 0.000 0.507 182 M N 2.605 122.296 119.600 0.153 0.000 2.217 182 M HA 0.536 5.016 4.480 0.001 0.000 0.352 182 M C 0.827 177.202 176.300 0.125 0.000 1.376 182 M CA -0.273 55.113 55.300 0.143 0.000 1.107 182 M CB 0.251 32.964 32.600 0.189 0.000 1.723 182 M HN 0.253 nan 8.290 nan 0.000 0.461 183 L N 4.980 126.254 121.223 0.084 0.000 2.483 183 L HA -0.007 4.333 4.340 0.001 0.000 0.277 183 L C 1.603 178.503 176.870 0.050 0.000 1.248 183 L CA 0.112 54.990 54.840 0.063 0.000 0.825 183 L CB 0.127 42.209 42.059 0.039 0.000 1.096 183 L HN 0.805 nan 8.230 nan 0.000 0.512 184 R N 0.648 121.166 120.500 0.030 0.000 2.081 184 R HA -0.160 4.181 4.340 0.001 0.000 0.235 184 R C 1.873 178.126 176.300 -0.078 0.000 1.131 184 R CA 1.384 57.474 56.100 -0.016 0.000 0.960 184 R CB -0.128 30.161 30.300 -0.019 0.000 0.856 184 R HN 0.605 nan 8.270 nan 0.000 0.436 185 E N 0.675 120.843 120.200 -0.054 0.000 2.118 185 E HA -0.170 4.180 4.350 0.001 0.000 0.195 185 E C 1.529 178.085 176.600 -0.073 0.000 0.992 185 E CA 1.307 57.666 56.400 -0.068 0.000 0.804 185 E CB -0.156 29.528 29.700 -0.028 0.000 0.741 185 E HN 0.270 nan 8.360 nan 0.000 0.458 186 D N -0.051 120.326 120.400 -0.039 0.000 2.123 186 D HA -0.057 4.584 4.640 0.001 0.000 0.200 186 D C 1.859 178.119 176.300 -0.066 0.000 0.976 186 D CA 1.341 55.319 54.000 -0.036 0.000 0.831 186 D CB -0.314 40.488 40.800 0.004 0.000 0.974 186 D HN 0.198 nan 8.370 nan 0.000 0.469 187 A N 0.910 123.707 122.820 -0.039 0.000 1.908 187 A HA -0.186 4.134 4.320 0.001 0.000 0.218 187 A C 2.275 179.782 177.584 -0.130 0.000 1.181 187 A CA 1.373 53.403 52.037 -0.012 0.000 0.627 187 A CB -0.564 18.477 19.000 0.068 0.000 0.818 187 A HN 0.152 nan 8.150 nan 0.000 0.445 188 M N -2.148 117.284 119.600 -0.281 0.000 2.117 188 M HA -0.155 4.326 4.480 0.001 0.000 0.262 188 M C 2.413 178.646 176.300 -0.111 0.000 1.065 188 M CA 2.142 57.169 55.300 -0.454 0.000 1.114 188 M CB -0.336 31.918 32.600 -0.578 0.000 1.361 188 M HN 0.534 nan 8.290 nan 0.000 0.408 189 M N 0.444 119.988 119.600 -0.093 0.000 2.175 189 M HA -0.137 4.344 4.480 0.001 0.000 0.264 189 M C 1.758 178.008 176.300 -0.084 0.000 1.063 189 M CA 1.822 57.092 55.300 -0.049 0.000 1.119 189 M CB -0.233 32.336 32.600 -0.052 0.000 1.377 189 M HN 0.017 nan 8.290 nan 0.000 0.415 190 E N -0.915 119.174 120.200 -0.186 0.000 2.072 190 E HA -0.215 4.136 4.350 0.001 0.000 0.191 190 E C 1.913 178.282 176.600 -0.385 0.000 0.985 190 E CA 1.557 57.730 56.400 -0.379 0.000 0.801 190 E CB -0.629 28.661 29.700 -0.683 0.000 0.750 190 E HN 0.670 nan 8.360 nan 0.000 0.452 191 Y N 0.442 120.527 120.300 -0.358 0.000 2.081 191 Y HA -0.268 4.282 4.550 0.001 0.000 0.280 191 Y C 1.929 177.798 175.900 -0.053 0.000 1.163 191 Y CA 2.109 60.141 58.100 -0.115 0.000 1.135 191 Y CB -0.169 38.377 38.460 0.144 0.000 0.970 191 Y HN 0.048 nan 8.280 nan 0.000 0.498 192 L N -0.100 121.277 121.223 0.256 0.000 2.056 192 L HA -0.227 4.114 4.340 0.001 0.000 0.207 192 L C 2.414 179.258 176.870 -0.044 0.000 1.078 192 L CA 1.525 56.466 54.840 0.168 0.000 0.749 192 L CB -0.533 41.636 42.059 0.183 0.000 0.901 192 L HN 0.149 nan 8.230 nan 0.000 0.433 193 K N 0.245 120.600 120.400 -0.075 0.000 2.113 193 K HA -0.179 4.142 4.320 0.001 0.000 0.208 193 K C 2.022 178.538 176.600 -0.139 0.000 1.047 193 K CA 1.402 57.623 56.287 -0.111 0.000 0.928 193 K CB -0.182 32.252 32.500 -0.109 0.000 0.716 193 K HN 0.280 nan 8.250 nan 0.000 0.446 194 I N 0.375 120.842 120.570 -0.172 0.000 2.233 194 I HA -0.215 3.956 4.170 0.001 0.000 0.243 194 I C 2.410 178.404 176.117 -0.204 0.000 1.093 194 I CA 0.949 62.143 61.300 -0.178 0.000 1.380 194 I CB -0.283 37.586 38.000 -0.218 0.000 1.067 194 I HN 0.123 nan 8.210 nan 0.000 0.413 195 A N 0.812 123.487 122.820 -0.242 0.000 1.969 195 A HA -0.228 4.093 4.320 0.001 0.000 0.218 195 A C 2.300 179.596 177.584 -0.480 0.000 1.169 195 A CA 1.506 53.395 52.037 -0.246 0.000 0.635 195 A CB -0.692 18.261 19.000 -0.078 0.000 0.810 195 A HN 0.644 nan 8.150 nan 0.000 0.445 196 Q N -0.657 118.729 119.800 -0.689 0.000 2.369 196 Q HA -0.138 4.202 4.340 0.001 0.000 0.206 196 Q C 0.099 175.791 176.000 -0.514 0.000 0.963 196 Q CA 1.385 56.432 55.803 -1.260 0.000 0.894 196 Q CB -0.269 28.020 28.738 -0.749 0.000 0.965 196 Q HN 0.473 nan 8.270 nan 0.000 0.475 197 D N 0.984 121.245 120.400 -0.232 0.000 2.340 197 D HA 0.137 4.777 4.640 0.001 0.000 0.220 197 D C 0.249 176.490 176.300 -0.099 0.000 1.039 197 D CA 0.125 54.072 54.000 -0.090 0.000 0.866 197 D CB 0.143 40.964 40.800 0.035 0.000 0.913 197 D HN 0.274 nan 8.370 nan 0.000 0.523 198 L N 1.079 122.246 121.223 -0.092 0.000 2.456 198 L HA 0.014 4.355 4.340 0.001 0.000 0.272 198 L C 1.615 178.510 176.870 0.041 0.000 1.189 198 L CA -0.078 54.762 54.840 -0.001 0.000 0.846 198 L CB 0.708 42.782 42.059 0.023 0.000 1.111 198 L HN -0.172 nan 8.230 nan 0.000 0.475 199 E N 1.907 122.146 120.200 0.066 0.000 2.153 199 E HA -0.182 4.168 4.350 0.001 0.000 0.194 199 E C 1.575 178.237 176.600 0.104 0.000 0.988 199 E CA 1.376 57.816 56.400 0.066 0.000 0.811 199 E CB -0.003 29.751 29.700 0.091 0.000 0.746 199 E HN 0.610 nan 8.360 nan 0.000 0.466 200 M N -0.057 119.612 119.600 0.116 0.000 2.561 200 M HA 0.058 4.538 4.480 0.001 0.000 0.238 200 M C 0.129 176.477 176.300 0.080 0.000 1.131 200 M CA -0.083 55.287 55.300 0.117 0.000 1.046 200 M CB 0.219 32.865 32.600 0.077 0.000 1.532 200 M HN 0.088 nan 8.290 nan 0.000 0.497 201 Y N 1.148 121.419 120.300 -0.050 0.000 2.511 201 Y HA 0.284 4.834 4.550 0.001 0.000 0.332 201 Y C 1.265 177.029 175.900 -0.227 0.000 1.177 201 Y CA 0.999 59.031 58.100 -0.113 0.000 1.422 201 Y CB 0.542 38.966 38.460 -0.060 0.000 1.271 201 Y HN 0.466 nan 8.280 nan 0.000 0.550 202 G N 3.677 111.814 108.800 -1.105 0.000 2.180 202 G HA2 -0.271 3.689 3.960 0.001 0.000 0.263 202 G HA3 -0.271 3.689 3.960 0.001 0.000 0.263 202 G C -0.512 174.084 174.900 -0.505 0.000 0.989 202 G CA 0.378 44.760 45.100 -1.197 0.000 0.692 202 G HN 0.732 nan 8.290 nan 0.000 0.526 203 V N 1.658 121.352 119.914 -0.367 0.000 2.364 203 V HA 0.294 4.414 4.120 0.001 0.000 0.272 203 V C 0.176 176.037 176.094 -0.390 0.000 1.036 203 V CA -1.173 60.905 62.300 -0.370 0.000 0.880 203 V CB 1.329 32.822 31.823 -0.549 0.000 0.991 203 V HN 0.325 nan 8.190 nan 0.000 0.460 204 N N 4.702 123.236 118.700 -0.278 0.000 2.401 204 N HA 0.258 4.999 4.740 0.001 0.000 0.255 204 N C -0.801 174.414 175.510 -0.492 0.000 1.110 204 N CA -0.026 52.855 53.050 -0.281 0.000 0.949 204 N CB 0.794 39.258 38.487 -0.039 0.000 1.110 204 N HN 0.534 nan 8.380 nan 0.000 0.490 205 Y N 1.807 121.794 120.300 -0.522 0.000 2.320 205 Y HA 0.418 4.969 4.550 0.001 0.000 0.324 205 Y C 0.015 175.551 175.900 -0.607 0.000 1.190 205 Y CA -0.265 57.581 58.100 -0.424 0.000 1.215 205 Y CB 0.848 38.966 38.460 -0.570 0.000 1.221 205 Y HN 0.310 nan 8.280 nan 0.000 0.486 206 F N -0.042 120.183 119.950 0.459 0.000 2.591 206 F HA 0.336 4.864 4.527 0.002 0.000 0.309 206 F C -0.481 175.543 175.800 0.373 0.000 1.098 206 F CA -1.363 56.862 58.000 0.374 0.000 0.937 206 F CB 1.567 40.664 39.000 0.161 0.000 1.250 206 F HN 0.356 nan 8.300 nan 0.000 0.447 207 E N 3.972 124.348 120.200 0.292 0.000 2.257 207 E HA 0.478 4.828 4.350 0.001 0.000 0.278 207 E C -0.706 175.921 176.600 0.046 0.000 1.049 207 E CA -0.213 56.106 56.400 -0.135 0.000 0.876 207 E CB 1.133 30.676 29.700 -0.262 0.000 1.035 207 E HN 0.557 nan 8.360 nan 0.000 0.419 208 I N -0.643 119.946 120.570 0.030 0.000 2.969 208 I HA 0.595 4.766 4.170 0.001 0.000 0.307 208 I C -0.847 175.374 176.117 0.173 0.000 1.149 208 I CA -1.260 60.142 61.300 0.170 0.000 1.008 208 I CB 2.193 40.294 38.000 0.169 0.000 1.232 208 I HN 0.217 nan 8.210 nan 0.000 0.435 209 R N 2.393 123.073 120.500 0.299 0.000 2.686 209 R HA 0.445 4.786 4.340 0.001 0.000 0.286 209 R C -1.031 175.535 176.300 0.443 0.000 0.969 209 R CA -0.932 55.325 56.100 0.261 0.000 0.898 209 R CB 1.803 32.197 30.300 0.155 0.000 1.183 209 R HN 0.863 nan 8.270 nan 0.000 0.456 210 N N 1.105 119.960 118.700 0.258 0.000 2.379 210 N HA 0.088 4.829 4.740 0.001 0.000 0.260 210 N C 0.358 176.034 175.510 0.277 0.000 1.254 210 N CA -0.475 52.711 53.050 0.227 0.000 0.958 210 N CB 0.645 38.824 38.487 -0.513 0.000 1.208 210 N HN 0.394 nan 8.380 nan 0.000 0.532 211 K N -0.082 120.513 120.400 0.326 0.000 2.059 211 K HA -0.219 4.101 4.320 0.001 0.000 0.212 211 K C 1.481 178.122 176.600 0.067 0.000 1.050 211 K CA 1.683 58.128 56.287 0.262 0.000 0.927 211 K CB -0.176 32.464 32.500 0.233 0.000 0.714 211 K HN 0.576 nan 8.250 nan 0.000 0.447 212 K N 0.805 121.216 120.400 0.017 0.000 2.519 212 K HA -0.189 4.131 4.320 0.001 0.000 0.196 212 K C 0.376 176.955 176.600 -0.035 0.000 1.041 212 K CA 0.641 56.914 56.287 -0.022 0.000 0.954 212 K CB -0.102 32.368 32.500 -0.049 0.000 0.774 212 K HN 0.236 nan 8.250 nan 0.000 0.480 213 N N 0.442 119.125 118.700 -0.027 0.000 2.829 213 N HA -0.135 4.605 4.740 0.001 0.000 0.250 213 N C -1.149 174.342 175.510 -0.031 0.000 1.090 213 N CA 0.745 53.772 53.050 -0.038 0.000 0.781 213 N CB -1.178 37.269 38.487 -0.067 0.000 1.124 213 N HN 0.150 nan 8.380 nan 0.000 0.559 214 T N 1.173 115.706 114.554 -0.035 0.000 2.918 214 T HA 0.100 4.451 4.350 0.001 0.000 0.302 214 T C 0.361 175.049 174.700 -0.019 0.000 1.045 214 T CA 0.101 62.181 62.100 -0.035 0.000 1.114 214 T CB 1.147 69.983 68.868 -0.053 0.000 0.965 214 T HN 0.071 nan 8.240 nan 0.000 0.540 215 E N 1.867 122.048 120.200 -0.032 0.000 2.194 215 E HA 0.448 4.799 4.350 0.001 0.000 0.284 215 E C -0.493 176.073 176.600 -0.056 0.000 1.035 215 E CA -0.188 56.175 56.400 -0.063 0.000 0.836 215 E CB 0.556 30.197 29.700 -0.099 0.000 1.070 215 E HN 0.391 nan 8.360 nan 0.000 0.401 216 L N 2.087 123.278 121.223 -0.054 0.000 2.341 216 L HA 0.545 4.885 4.340 0.001 0.000 0.254 216 L C -1.110 175.732 176.870 -0.046 0.000 1.040 216 L CA -1.124 53.737 54.840 0.035 0.000 0.837 216 L CB 1.572 43.754 42.059 0.205 0.000 1.425 216 L HN 0.513 nan 8.230 nan 0.000 0.414 217 W N 1.587 123.027 121.300 0.233 0.000 2.475 217 W HA 0.574 5.235 4.660 0.002 0.000 0.317 217 W C -0.491 176.206 176.519 0.297 0.000 1.046 217 W CA -0.440 57.059 57.345 0.256 0.000 1.215 217 W CB 1.683 31.307 29.460 0.274 0.000 1.335 217 W HN 0.118 nan 8.180 nan 0.000 0.471 218 L N 3.791 125.273 121.223 0.431 0.000 2.350 218 L HA 0.817 5.157 4.340 0.001 0.000 0.275 218 L C 0.232 177.306 176.870 0.339 0.000 1.099 218 L CA -0.002 54.983 54.840 0.241 0.000 0.808 218 L CB 0.814 42.820 42.059 -0.089 0.000 1.149 218 L HN 0.470 nan 8.230 nan 0.000 0.442 219 G N 4.674 113.623 108.800 0.248 0.000 2.644 219 G HA2 0.573 4.533 3.960 0.001 0.000 0.300 219 G HA3 0.573 4.533 3.960 0.001 0.000 0.300 219 G C -1.603 173.336 174.900 0.065 0.000 1.395 219 G CA -0.393 44.746 45.100 0.065 0.000 0.964 219 G HN 0.518 nan 8.290 nan 0.000 0.511 220 V N 3.553 123.535 119.914 0.114 0.000 2.370 220 V HA 0.561 4.682 4.120 0.001 0.000 0.283 220 V C -0.438 175.775 176.094 0.199 0.000 1.023 220 V CA -0.558 61.871 62.300 0.215 0.000 0.857 220 V CB 1.112 33.161 31.823 0.377 0.000 0.985 220 V HN 0.971 nan 8.190 nan 0.000 0.443 221 D N 4.103 124.656 120.400 0.256 0.000 2.732 221 D HA 0.556 5.197 4.640 0.001 0.000 0.292 221 D C 0.816 177.425 176.300 0.516 0.000 1.135 221 D CA -0.107 54.054 54.000 0.269 0.000 1.071 221 D CB 1.566 42.436 40.800 0.116 0.000 1.457 221 D HN 0.403 nan 8.370 nan 0.000 0.547 222 A N -0.768 122.322 122.820 0.450 0.000 2.121 222 A HA 0.048 4.368 4.320 0.001 0.000 0.218 222 A C 1.902 179.895 177.584 0.681 0.000 1.154 222 A CA 1.042 53.401 52.037 0.537 0.000 0.679 222 A CB -0.822 18.430 19.000 0.419 0.000 0.795 222 A HN 0.501 nan 8.150 nan 0.000 0.458 223 L N -2.665 118.864 121.223 0.509 0.000 2.408 223 L HA 0.412 4.753 4.340 0.001 0.000 0.215 223 L C 1.308 178.186 176.870 0.014 0.000 1.081 223 L CA 0.418 55.491 54.840 0.387 0.000 0.840 223 L CB -0.111 42.097 42.059 0.247 0.000 1.002 223 L HN 0.513 nan 8.230 nan 0.000 0.468 224 G N -0.283 108.288 108.800 -0.381 0.000 2.404 224 G HA2 0.228 4.189 3.960 0.001 0.000 0.253 224 G HA3 0.228 4.189 3.960 0.001 0.000 0.253 224 G C -1.790 172.593 174.900 -0.861 0.000 1.253 224 G CA -0.869 43.466 45.100 -1.276 0.000 0.917 224 G HN -0.122 nan 8.290 nan 0.000 0.480 225 L N 0.866 121.706 121.223 -0.638 0.000 2.331 225 L HA 0.672 5.012 4.340 0.001 0.000 0.275 225 L C -0.720 176.084 176.870 -0.110 0.000 1.022 225 L CA -1.116 53.562 54.840 -0.271 0.000 0.812 225 L CB 1.982 43.933 42.059 -0.180 0.000 1.257 225 L HN 0.451 nan 8.230 nan 0.000 0.435 226 N N 2.130 120.794 118.700 -0.060 0.000 2.277 226 N HA 0.565 5.306 4.740 0.001 0.000 0.286 226 N C -1.365 174.100 175.510 -0.076 0.000 1.140 226 N CA -0.512 52.457 53.050 -0.135 0.000 0.799 226 N CB 2.863 41.216 38.487 -0.224 0.000 1.596 226 N HN 0.287 nan 8.380 nan 0.000 0.473 227 I N 2.051 122.522 120.570 -0.165 0.000 2.433 227 I HA 0.407 4.578 4.170 0.001 0.000 0.292 227 I C -0.787 175.276 176.117 -0.090 0.000 1.001 227 I CA -0.469 60.850 61.300 0.032 0.000 1.119 227 I CB 0.496 38.594 38.000 0.165 0.000 1.289 227 I HN 0.389 nan 8.210 nan 0.000 0.438 228 Y N 2.817 123.265 120.300 0.246 0.000 2.524 228 Y HA 0.429 4.980 4.550 0.001 0.000 0.344 228 Y C 0.519 176.590 175.900 0.284 0.000 1.012 228 Y CA -1.044 57.210 58.100 0.257 0.000 1.068 228 Y CB 1.232 39.881 38.460 0.315 0.000 1.249 228 Y HN 0.469 nan 8.280 nan 0.000 0.468 229 E N 1.736 122.156 120.200 0.366 0.000 2.366 229 E HA 0.112 4.462 4.350 0.001 0.000 0.266 229 E C 0.533 177.347 176.600 0.357 0.000 1.051 229 E CA -0.573 55.987 56.400 0.267 0.000 0.884 229 E CB 0.879 30.677 29.700 0.164 0.000 1.006 229 E HN 0.474 nan 8.360 nan 0.000 0.417 230 K N 2.003 122.539 120.400 0.226 0.000 2.113 230 K HA -0.187 4.134 4.320 0.001 0.000 0.208 230 K C 1.230 178.024 176.600 0.323 0.000 1.047 230 K CA 1.516 57.945 56.287 0.237 0.000 0.928 230 K CB -0.235 32.265 32.500 -0.001 0.000 0.716 230 K HN 0.626 nan 8.250 nan 0.000 0.446 231 D N -0.027 120.484 120.400 0.186 0.000 2.378 231 D HA -0.111 4.529 4.640 0.001 0.000 0.227 231 D C -0.238 176.122 176.300 0.099 0.000 1.012 231 D CA 0.450 54.523 54.000 0.122 0.000 0.905 231 D CB -0.055 40.790 40.800 0.074 0.000 0.895 231 D HN -0.003 nan 8.370 nan 0.000 0.532 232 D N -0.256 120.228 120.400 0.139 0.000 2.365 232 D HA 0.150 4.790 4.640 0.001 0.000 0.235 232 D C 0.079 176.436 176.300 0.095 0.000 1.368 232 D CA -0.534 53.513 54.000 0.079 0.000 1.001 232 D CB 1.151 42.004 40.800 0.087 0.000 1.364 232 D HN -0.200 nan 8.370 nan 0.000 0.577 233 K N 2.341 122.660 120.400 -0.136 0.000 2.400 233 K HA 0.209 4.530 4.320 0.001 0.000 0.194 233 K C 1.539 178.060 176.600 -0.131 0.000 1.033 233 K CA 0.259 56.304 56.287 -0.403 0.000 1.021 233 K CB 0.712 32.660 32.500 -0.920 0.000 0.808 233 K HN 0.433 nan 8.250 nan 0.000 0.505 234 L N 0.346 121.565 121.223 -0.005 0.000 2.270 234 L HA 0.022 4.362 4.340 0.001 0.000 0.210 234 L C 0.362 177.342 176.870 0.183 0.000 1.104 234 L CA 0.758 55.637 54.840 0.065 0.000 0.804 234 L CB -0.054 41.984 42.059 -0.034 0.000 0.937 234 L HN -0.033 nan 8.230 nan 0.000 0.450 235 T N 2.297 116.975 114.554 0.207 0.000 2.893 235 T HA 0.347 4.697 4.350 0.001 0.000 0.324 235 T C -2.490 172.265 174.700 0.091 0.000 1.082 235 T CA -1.272 60.902 62.100 0.123 0.000 0.983 235 T CB 1.641 70.538 68.868 0.049 0.000 1.005 235 T HN -0.070 nan 8.240 nan 0.000 0.475 236 P HA 0.358 nan 4.420 nan 0.000 0.278 236 P C 0.261 177.395 177.300 -0.276 0.000 1.238 236 P CA -0.599 62.153 63.100 -0.580 0.000 0.794 236 P CB 1.416 32.615 31.700 -0.834 0.000 0.955 237 K N 1.490 121.752 120.400 -0.230 0.000 2.276 237 K HA 0.310 4.630 4.320 0.001 0.000 0.198 237 K C 0.895 177.406 176.600 -0.149 0.000 1.052 237 K CA 0.571 56.785 56.287 -0.121 0.000 0.984 237 K CB 0.296 32.773 32.500 -0.037 0.000 0.836 237 K HN 0.504 nan 8.250 nan 0.000 0.490 238 I N -0.384 120.070 120.570 -0.193 0.000 2.828 238 I HA 0.469 4.640 4.170 0.001 0.000 0.302 238 I C -0.404 175.490 176.117 -0.371 0.000 1.101 238 I CA -1.161 59.975 61.300 -0.273 0.000 1.031 238 I CB 2.543 40.416 38.000 -0.212 0.000 1.231 238 I HN -0.038 nan 8.210 nan 0.000 0.427 239 G N 3.330 111.791 108.800 -0.565 0.000 2.733 239 G HA2 0.742 4.703 3.960 0.001 0.000 0.297 239 G HA3 0.742 4.703 3.960 0.001 0.000 0.297 239 G C -1.823 172.615 174.900 -0.770 0.000 1.422 239 G CA -0.357 44.442 45.100 -0.502 0.000 0.942 239 G HN 0.271 nan 8.290 nan 0.000 0.510 240 F N 1.979 121.746 119.950 -0.305 0.000 2.507 240 F HA 0.501 5.029 4.527 0.001 0.000 0.328 240 F C -1.988 173.606 175.800 -0.344 0.000 1.136 240 F CA -2.314 55.511 58.000 -0.291 0.000 0.930 240 F CB 2.776 41.587 39.000 -0.315 0.000 1.166 240 F HN 0.182 nan 8.300 nan 0.000 0.436 241 P HA 0.007 nan 4.420 nan 0.000 0.274 241 P C 0.376 177.533 177.300 -0.238 0.000 1.237 241 P CA -0.208 62.778 63.100 -0.191 0.000 0.793 241 P CB 0.959 32.639 31.700 -0.032 0.000 0.977 242 W N 0.718 121.813 121.300 -0.343 0.000 2.421 242 W HA -0.156 4.504 4.660 0.000 0.000 0.270 242 W C 2.413 178.797 176.519 -0.226 0.000 1.233 242 W CA 1.273 58.379 57.345 -0.399 0.000 1.226 242 W CB -0.828 28.057 29.460 -0.959 0.000 1.121 242 W HN 0.342 nan 8.180 nan 0.000 0.579 243 S N -0.259 115.428 115.700 -0.022 0.000 2.507 243 S HA -0.123 4.347 4.470 0.001 0.000 0.235 243 S C 1.138 175.819 174.600 0.135 0.000 0.988 243 S CA 0.991 59.277 58.200 0.144 0.000 0.944 243 S CB -0.316 63.008 63.200 0.206 0.000 0.762 243 S HN 0.414 nan 8.310 nan 0.000 0.526 244 E N 0.293 120.557 120.200 0.106 0.000 2.474 244 E HA 0.234 4.584 4.350 0.001 0.000 0.195 244 E C -0.413 176.246 176.600 0.099 0.000 1.039 244 E CA -0.147 56.314 56.400 0.101 0.000 0.881 244 E CB 0.287 30.051 29.700 0.107 0.000 0.970 244 E HN 0.442 nan 8.360 nan 0.000 0.486 245 I N 0.780 121.427 120.570 0.129 0.000 2.437 245 I HA 0.227 4.397 4.170 0.001 0.000 0.298 245 I C 1.095 177.239 176.117 0.046 0.000 0.984 245 I CA 0.080 61.439 61.300 0.098 0.000 1.214 245 I CB 1.620 39.727 38.000 0.178 0.000 1.365 245 I HN 0.007 nan 8.210 nan 0.000 0.469 246 R N 3.863 124.365 120.500 0.004 0.000 2.243 246 R HA 0.190 4.531 4.340 0.001 0.000 0.193 246 R C 0.009 176.273 176.300 -0.061 0.000 0.933 246 R CA 0.187 56.275 56.100 -0.021 0.000 1.105 246 R CB 0.779 31.079 30.300 0.000 0.000 1.169 246 R HN 0.810 nan 8.270 nan 0.000 0.599 247 N N -0.319 118.349 118.700 -0.054 0.000 2.405 247 N HA 0.365 5.105 4.740 0.001 0.000 0.274 247 N C -1.737 173.730 175.510 -0.072 0.000 1.170 247 N CA -0.635 52.371 53.050 -0.074 0.000 0.848 247 N CB 1.963 40.405 38.487 -0.075 0.000 1.629 247 N HN -0.003 nan 8.380 nan 0.000 0.481 248 I N 1.626 122.141 120.570 -0.091 0.000 2.582 248 I HA 0.575 4.745 4.170 0.001 0.000 0.292 248 I C -0.862 175.104 176.117 -0.252 0.000 1.066 248 I CA -0.590 60.633 61.300 -0.128 0.000 1.053 248 I CB 2.043 40.067 38.000 0.040 0.000 1.241 248 I HN 0.771 nan 8.210 nan 0.000 0.421 249 S N 4.420 119.814 115.700 -0.510 0.000 2.595 249 S HA 0.732 5.202 4.470 0.001 0.000 0.270 249 S C -1.109 173.047 174.600 -0.740 0.000 1.145 249 S CA -0.927 56.974 58.200 -0.498 0.000 0.825 249 S CB 2.036 65.022 63.200 -0.357 0.000 1.107 249 S HN 0.577 nan 8.310 nan 0.000 0.461 250 F N -0.370 119.225 119.950 -0.592 0.000 2.588 250 F HA 0.872 5.400 4.527 0.001 0.000 0.310 250 F C -1.077 174.577 175.800 -0.242 0.000 1.082 250 F CA -0.887 56.828 58.000 -0.475 0.000 0.929 250 F CB 1.575 40.400 39.000 -0.291 0.000 1.254 250 F HN 0.655 nan 8.300 nan 0.000 0.455 251 N N 2.926 121.548 118.700 -0.129 0.000 2.483 251 N HA 0.333 5.074 4.740 0.001 0.000 0.267 251 N C -0.309 175.260 175.510 0.098 0.000 0.998 251 N CA -0.027 52.958 53.050 -0.107 0.000 0.918 251 N CB 0.780 39.195 38.487 -0.121 0.000 1.215 251 N HN 0.825 nan 8.380 nan 0.000 0.500 252 D N 1.307 121.819 120.400 0.187 0.000 4.334 252 D HA -0.325 4.315 4.640 0.001 0.000 0.183 252 D C 0.689 177.131 176.300 0.237 0.000 0.667 252 D CA 1.692 55.823 54.000 0.218 0.000 1.106 252 D CB -0.276 40.597 40.800 0.122 0.000 0.544 252 D HN 0.646 nan 8.370 nan 0.000 0.458 253 R N 1.014 121.622 120.500 0.179 0.000 2.265 253 R HA 0.143 4.484 4.340 0.001 0.000 0.194 253 R C 0.927 177.322 176.300 0.157 0.000 0.931 253 R CA -0.002 56.204 56.100 0.177 0.000 1.032 253 R CB 0.381 30.801 30.300 0.201 0.000 0.980 253 R HN 0.164 nan 8.270 nan 0.000 0.497 254 K N 1.029 121.488 120.400 0.098 0.000 2.322 254 K HA 0.089 4.409 4.320 0.001 0.000 0.283 254 K C -1.332 175.121 176.600 -0.245 0.000 1.042 254 K CA -0.002 56.157 56.287 -0.213 0.000 0.958 254 K CB 0.501 32.914 32.500 -0.145 0.000 0.984 254 K HN -0.182 nan 8.250 nan 0.000 0.473 255 F N 5.973 125.486 119.950 -0.729 0.000 2.477 255 F HA 0.432 4.960 4.527 0.002 0.000 0.335 255 F C -0.789 174.534 175.800 -0.796 0.000 1.130 255 F CA -0.804 56.739 58.000 -0.762 0.000 0.948 255 F CB 0.913 39.147 39.000 -1.277 0.000 1.154 255 F HN 0.312 nan 8.300 nan 0.000 0.439 256 I N 7.496 127.678 120.570 -0.647 0.000 2.389 256 I HA 0.398 4.568 4.170 0.001 0.000 0.288 256 I C -0.745 175.173 176.117 -0.331 0.000 0.999 256 I CA -0.635 60.413 61.300 -0.420 0.000 1.129 256 I CB 1.723 39.533 38.000 -0.315 0.000 1.288 256 I HN 0.426 nan 8.210 nan 0.000 0.444 257 I N 6.581 127.042 120.570 -0.182 0.000 2.355 257 I HA 0.305 4.475 4.170 0.001 0.000 0.288 257 I C -0.160 175.951 176.117 -0.009 0.000 0.999 257 I CA -0.651 60.628 61.300 -0.036 0.000 1.163 257 I CB 1.112 39.177 38.000 0.108 0.000 1.316 257 I HN 0.460 nan 8.210 nan 0.000 0.454 258 K N 8.219 128.603 120.400 -0.027 0.000 2.240 258 K HA 0.434 4.755 4.320 0.001 0.000 0.271 258 K C -2.457 174.146 176.600 0.004 0.000 1.018 258 K CA -1.575 54.704 56.287 -0.014 0.000 0.874 258 K CB 1.551 34.029 32.500 -0.038 0.000 1.098 258 K HN 0.244 nan 8.250 nan 0.000 0.458 259 P HA 0.146 nan 4.420 nan 0.000 0.277 259 P C 0.673 177.992 177.300 0.031 0.000 1.271 259 P CA -0.530 62.587 63.100 0.029 0.000 0.795 259 P CB 0.797 32.522 31.700 0.042 0.000 1.101 260 I N -0.950 119.647 120.570 0.045 0.000 2.233 260 I HA -0.077 4.093 4.170 0.001 0.000 0.243 260 I C 1.016 177.156 176.117 0.038 0.000 1.093 260 I CA 1.242 62.568 61.300 0.044 0.000 1.380 260 I CB -1.320 36.715 38.000 0.059 0.000 1.067 260 I HN 0.382 nan 8.210 nan 0.000 0.413 261 D N 2.479 122.905 120.400 0.044 0.000 2.451 261 D HA -0.071 4.569 4.640 0.001 0.000 0.254 261 D C 1.178 177.499 176.300 0.034 0.000 1.204 261 D CA 0.366 54.389 54.000 0.039 0.000 0.896 261 D CB 0.784 41.611 40.800 0.045 0.000 1.136 261 D HN 0.004 nan 8.370 nan 0.000 0.499 262 K N 3.533 123.949 120.400 0.027 0.000 2.296 262 K HA -0.048 4.272 4.320 0.001 0.000 0.200 262 K C 1.504 178.119 176.600 0.025 0.000 1.048 262 K CA 0.512 56.813 56.287 0.022 0.000 0.966 262 K CB 0.147 32.657 32.500 0.017 0.000 0.754 262 K HN 0.504 nan 8.250 nan 0.000 0.466 263 K N 1.057 121.474 120.400 0.028 0.000 2.097 263 K HA -0.009 4.312 4.320 0.001 0.000 0.205 263 K C 1.088 177.710 176.600 0.037 0.000 1.050 263 K CA 0.555 56.860 56.287 0.029 0.000 0.938 263 K CB -0.065 32.452 32.500 0.028 0.000 0.718 263 K HN 0.028 nan 8.250 nan 0.000 0.442 264 A N 3.264 126.110 122.820 0.045 0.000 2.371 264 A HA 0.240 4.561 4.320 0.001 0.000 0.257 264 A C -2.129 175.492 177.584 0.060 0.000 1.089 264 A CA -1.287 50.785 52.037 0.059 0.000 0.794 264 A CB -0.029 19.014 19.000 0.070 0.000 1.029 264 A HN 0.016 nan 8.150 nan 0.000 0.488 265 P HA 0.232 nan 4.420 nan 0.000 0.278 265 P C -0.933 176.420 177.300 0.088 0.000 1.266 265 P CA -0.556 62.590 63.100 0.076 0.000 0.807 265 P CB 0.460 32.214 31.700 0.090 0.000 1.094 266 D N 0.119 120.563 120.400 0.073 0.000 2.455 266 D HA 0.051 4.691 4.640 0.001 0.000 0.241 266 D C -0.379 176.011 176.300 0.150 0.000 1.138 266 D CA 0.468 54.509 54.000 0.069 0.000 0.877 266 D CB -0.280 40.528 40.800 0.013 0.000 1.187 266 D HN 0.206 nan 8.370 nan 0.000 0.451 267 F N 3.626 123.547 119.950 -0.048 0.000 2.350 267 F HA 0.358 4.886 4.527 0.000 0.000 0.365 267 F C -1.070 174.733 175.800 0.003 0.000 1.122 267 F CA -0.900 57.063 58.000 -0.061 0.000 1.139 267 F CB 0.367 39.186 39.000 -0.302 0.000 1.220 267 F HN -0.033 nan 8.300 nan 0.000 0.499 268 V N 8.537 128.408 119.914 -0.071 0.000 2.540 268 V HA 0.585 4.706 4.120 0.001 0.000 0.302 268 V C -0.464 175.598 176.094 -0.054 0.000 1.035 268 V CA -0.678 61.493 62.300 -0.215 0.000 0.873 268 V CB 1.315 33.062 31.823 -0.127 0.000 0.992 268 V HN 0.680 nan 8.190 nan 0.000 0.428 269 F N 2.245 121.952 119.950 -0.404 0.000 2.754 269 F HA 0.905 5.433 4.527 0.002 0.000 0.320 269 F C -1.840 173.679 175.800 -0.469 0.000 1.156 269 F CA -1.633 56.251 58.000 -0.193 0.000 0.950 269 F CB 1.673 40.669 39.000 -0.007 0.000 1.388 269 F HN 0.242 nan 8.300 nan 0.000 0.485 270 F N 1.404 121.502 119.950 0.248 0.000 2.536 270 F HA 0.756 5.282 4.527 -0.002 0.000 0.322 270 F C 0.342 176.242 175.800 0.166 0.000 1.144 270 F CA -0.976 57.085 58.000 0.103 0.000 0.924 270 F CB 1.651 40.702 39.000 0.085 0.000 1.181 270 F HN 0.896 nan 8.300 nan 0.000 0.438 271 A N 4.159 127.115 122.820 0.227 0.000 2.313 271 A HA 0.561 4.881 4.320 0.001 0.000 0.261 271 A C -1.721 175.955 177.584 0.153 0.000 1.090 271 A CA -1.155 50.985 52.037 0.171 0.000 0.807 271 A CB 0.015 19.052 19.000 0.061 0.000 1.055 271 A HN 0.576 nan 8.150 nan 0.000 0.492 272 P HA 0.129 nan 4.420 nan 0.000 0.255 272 P C -0.006 177.332 177.300 0.063 0.000 1.248 272 P CA 0.509 63.655 63.100 0.076 0.000 0.807 272 P CB 0.231 31.964 31.700 0.054 0.000 1.150 273 R N -1.225 119.312 120.500 0.061 0.000 2.644 273 R HA 0.221 4.561 4.340 0.001 0.000 0.257 273 R C 0.492 176.801 176.300 0.016 0.000 1.082 273 R CA -0.445 55.681 56.100 0.043 0.000 0.927 273 R CB 1.273 31.596 30.300 0.039 0.000 1.258 273 R HN -0.381 nan 8.270 nan 0.000 0.459 274 V N 2.886 122.813 119.914 0.022 0.000 2.407 274 V HA -0.193 3.928 4.120 0.001 0.000 0.248 274 V C 2.218 178.246 176.094 -0.110 0.000 1.055 274 V CA 2.111 64.403 62.300 -0.013 0.000 1.049 274 V CB -0.534 31.342 31.823 0.090 0.000 0.662 274 V HN 0.616 nan 8.190 nan 0.000 0.455 275 R N 0.510 120.988 120.500 -0.037 0.000 2.105 275 R HA -0.128 4.212 4.340 0.001 0.000 0.239 275 R C 2.018 178.282 176.300 -0.060 0.000 1.135 275 R CA 1.734 57.815 56.100 -0.032 0.000 0.967 275 R CB -1.042 29.265 30.300 0.013 0.000 0.861 275 R HN 0.380 nan 8.270 nan 0.000 0.442 276 V N 1.283 121.169 119.914 -0.046 0.000 2.343 276 V HA -0.252 3.869 4.120 0.001 0.000 0.247 276 V C 1.849 177.806 176.094 -0.229 0.000 1.051 276 V CA 2.104 64.376 62.300 -0.047 0.000 1.036 276 V CB -0.623 31.218 31.823 0.029 0.000 0.654 276 V HN 0.388 nan 8.190 nan 0.000 0.451 277 N N 0.096 118.614 118.700 -0.303 0.000 2.244 277 N HA -0.122 4.619 4.740 0.001 0.000 0.183 277 N C 1.821 177.008 175.510 -0.539 0.000 1.016 277 N CA 1.118 53.906 53.050 -0.438 0.000 0.866 277 N CB -0.192 37.984 38.487 -0.518 0.000 0.980 277 N HN 0.542 nan 8.380 nan 0.000 0.430 278 K N 0.924 120.989 120.400 -0.558 0.000 2.002 278 K HA -0.023 4.298 4.320 0.001 0.000 0.209 278 K C 2.137 178.700 176.600 -0.062 0.000 1.048 278 K CA 1.007 57.138 56.287 -0.260 0.000 0.930 278 K CB -0.084 32.360 32.500 -0.094 0.000 0.714 278 K HN 0.129 nan 8.250 nan 0.000 0.438 279 R N 0.713 121.185 120.500 -0.046 0.000 2.103 279 R HA -0.126 4.215 4.340 0.001 0.000 0.242 279 R C 2.375 178.661 176.300 -0.023 0.000 1.142 279 R CA 1.480 57.615 56.100 0.058 0.000 0.960 279 R CB -0.493 29.907 30.300 0.167 0.000 0.858 279 R HN 0.226 nan 8.270 nan 0.000 0.439 280 I N 0.571 120.955 120.570 -0.310 0.000 2.179 280 I HA -0.296 3.875 4.170 0.001 0.000 0.242 280 I C 2.405 178.501 176.117 -0.034 0.000 1.088 280 I CA 0.953 61.983 61.300 -0.451 0.000 1.357 280 I CB -0.290 37.218 38.000 -0.821 0.000 1.051 280 I HN 0.153 nan 8.210 nan 0.000 0.409 281 L N 1.248 122.543 121.223 0.120 0.000 2.012 281 L HA -0.191 4.149 4.340 0.001 0.000 0.210 281 L C 2.573 179.560 176.870 0.196 0.000 1.073 281 L CA 2.232 57.244 54.840 0.288 0.000 0.748 281 L CB -0.753 41.501 42.059 0.326 0.000 0.891 281 L HN 0.195 nan 8.230 nan 0.000 0.431 282 A N -0.483 122.430 122.820 0.156 0.000 1.877 282 A HA -0.176 4.145 4.320 0.001 0.000 0.216 282 A C 2.256 179.964 177.584 0.206 0.000 1.186 282 A CA 2.043 54.175 52.037 0.157 0.000 0.620 282 A CB -0.975 18.108 19.000 0.138 0.000 0.822 282 A HN 0.516 nan 8.150 nan 0.000 0.443 283 L N -0.968 120.384 121.223 0.214 0.000 2.201 283 L HA -0.218 4.122 4.340 0.001 0.000 0.212 283 L C 2.648 179.712 176.870 0.324 0.000 1.105 283 L CA 0.943 55.970 54.840 0.312 0.000 0.775 283 L CB -0.683 41.538 42.059 0.270 0.000 0.913 283 L HN 0.509 nan 8.230 nan 0.000 0.440 284 C N -0.482 118.974 119.300 0.260 0.000 2.489 284 C HA -0.119 4.342 4.460 0.001 0.000 0.279 284 C C 2.886 177.847 174.990 -0.048 0.000 1.266 284 C CA 0.462 59.624 59.018 0.239 0.000 1.707 284 C CB -0.484 27.488 27.740 0.388 0.000 2.059 284 C HN 0.464 nan 8.230 nan 0.000 0.481 285 M N 0.986 120.607 119.600 0.034 0.000 2.089 285 M HA -0.141 4.339 4.480 0.001 0.000 0.257 285 M C 2.305 178.536 176.300 -0.114 0.000 1.071 285 M CA 2.340 57.623 55.300 -0.029 0.000 1.096 285 M CB -0.970 31.646 32.600 0.027 0.000 1.330 285 M HN 0.648 nan 8.290 nan 0.000 0.403 286 G N -0.001 108.755 108.800 -0.074 0.000 2.414 286 G HA2 -0.196 3.765 3.960 0.001 0.000 0.215 286 G HA3 -0.196 3.765 3.960 0.001 0.000 0.215 286 G C 1.362 175.929 174.900 -0.556 0.000 1.188 286 G CA 0.786 45.669 45.100 -0.361 0.000 0.783 286 G HN 0.396 nan 8.290 nan 0.000 0.537 287 N N -0.015 118.523 118.700 -0.271 0.000 2.244 287 N HA -0.096 4.644 4.740 0.001 0.000 0.183 287 N C 1.897 176.945 175.510 -0.771 0.000 1.016 287 N CA 1.197 54.063 53.050 -0.307 0.000 0.866 287 N CB -0.257 38.273 38.487 0.073 0.000 0.980 287 N HN 0.546 nan 8.380 nan 0.000 0.430 288 H N 1.177 119.553 119.070 -1.158 0.000 2.357 288 H HA -0.003 4.554 4.556 0.002 0.000 0.301 288 H C 2.072 177.148 175.328 -0.420 0.000 1.082 288 H CA 1.742 57.164 56.048 -1.043 0.000 1.342 288 H CB 0.074 29.378 29.762 -0.763 0.000 1.389 288 H HN 0.227 nan 8.280 nan 0.000 0.511 289 E N 0.134 120.155 120.200 -0.298 0.000 2.051 289 E HA -0.163 4.188 4.350 0.001 0.000 0.192 289 E C 2.196 178.624 176.600 -0.287 0.000 0.991 289 E CA 1.322 57.583 56.400 -0.233 0.000 0.799 289 E CB -0.073 29.513 29.700 -0.190 0.000 0.748 289 E HN 0.545 nan 8.360 nan 0.000 0.449 290 L N 0.113 121.136 121.223 -0.334 0.000 2.141 290 L HA -0.175 4.165 4.340 0.001 0.000 0.209 290 L C 2.472 179.221 176.870 -0.203 0.000 1.094 290 L CA 1.036 55.693 54.840 -0.305 0.000 0.763 290 L CB -0.524 41.354 42.059 -0.301 0.000 0.908 290 L HN 0.292 nan 8.230 nan 0.000 0.437 291 Y N 0.353 120.460 120.300 -0.322 0.000 2.097 291 Y HA -0.334 4.217 4.550 0.002 0.000 0.282 291 Y C 2.671 178.440 175.900 -0.218 0.000 1.152 291 Y CA 1.766 59.731 58.100 -0.224 0.000 1.136 291 Y CB 0.007 38.291 38.460 -0.294 0.000 0.975 291 Y HN 0.041 nan 8.280 nan 0.000 0.498 292 M N 0.140 119.666 119.600 -0.122 0.000 2.229 292 M HA -0.162 4.318 4.480 0.001 0.000 0.264 292 M C 2.093 178.284 176.300 -0.183 0.000 1.063 292 M CA 1.571 56.788 55.300 -0.138 0.000 1.114 292 M CB -1.065 31.452 32.600 -0.139 0.000 1.387 292 M HN 0.324 nan 8.290 nan 0.000 0.420 293 R N -0.245 120.125 120.500 -0.218 0.000 2.096 293 R HA -0.106 4.234 4.340 0.001 0.000 0.235 293 R C 2.202 178.366 176.300 -0.227 0.000 1.127 293 R CA 1.140 57.098 56.100 -0.237 0.000 0.968 293 R CB -0.292 29.810 30.300 -0.331 0.000 0.861 293 R HN 0.415 nan 8.270 nan 0.000 0.440 294 R N 0.045 120.399 120.500 -0.244 0.000 2.189 294 R HA 0.024 4.365 4.340 0.001 0.000 0.218 294 R C 1.754 177.926 176.300 -0.213 0.000 1.074 294 R CA 0.612 56.581 56.100 -0.217 0.000 0.991 294 R CB 0.075 30.243 30.300 -0.220 0.000 0.883 294 R HN 0.041 nan 8.270 nan 0.000 0.457 295 R N 0.906 121.263 120.500 -0.238 0.000 2.310 295 R HA 0.118 4.458 4.340 0.001 0.000 0.202 295 R C 0.129 176.359 176.300 -0.117 0.000 0.933 295 R CA 0.539 56.530 56.100 -0.181 0.000 1.054 295 R CB 0.175 30.370 30.300 -0.175 0.000 0.985 295 R HN 0.182 nan 8.270 nan 0.000 0.489 296 K N 0.693 121.021 120.400 -0.119 0.000 2.281 296 K HA 0.427 4.747 4.320 0.001 0.000 0.242 296 K C -2.457 174.091 176.600 -0.087 0.000 0.971 296 K CA -1.953 54.280 56.287 -0.090 0.000 0.834 296 K CB 1.013 33.459 32.500 -0.090 0.000 1.181 296 K HN -0.221 nan 8.250 nan 0.000 0.435 297 P HA 0.010 nan 4.420 nan 0.000 0.270 297 P C -0.987 176.273 177.300 -0.066 0.000 1.223 297 P CA -0.165 62.901 63.100 -0.057 0.000 0.785 297 P CB 0.344 32.019 31.700 -0.041 0.000 0.923 298 D N -0.134 120.232 120.400 -0.056 0.000 2.399 298 D HA 0.099 4.740 4.640 0.001 0.000 0.241 298 D C 0.693 176.967 176.300 -0.045 0.000 1.133 298 D CA 0.354 54.319 54.000 -0.060 0.000 0.890 298 D CB 0.199 40.978 40.800 -0.035 0.000 1.201 298 D HN 0.376 nan 8.370 nan 0.000 0.432 299 T N -1.239 113.286 114.554 -0.050 0.000 2.754 299 T HA 0.250 4.600 4.350 0.001 0.000 0.286 299 T C 1.872 176.582 174.700 0.017 0.000 0.997 299 T CA -0.636 61.456 62.100 -0.014 0.000 0.982 299 T CB 0.469 69.340 68.868 0.006 0.000 1.027 299 T HN 0.292 nan 8.240 nan 0.000 0.529 300 I N 0.477 121.071 120.570 0.040 0.000 2.179 300 I HA -0.132 4.039 4.170 0.001 0.000 0.242 300 I C 2.083 178.246 176.117 0.077 0.000 1.088 300 I CA 1.485 62.816 61.300 0.050 0.000 1.357 300 I CB -0.495 37.535 38.000 0.050 0.000 1.051 300 I HN 0.620 nan 8.210 nan 0.000 0.409 301 D N 0.533 121.008 120.400 0.125 0.000 2.144 301 D HA -0.115 4.526 4.640 0.001 0.000 0.200 301 D C 2.342 178.702 176.300 0.099 0.000 0.978 301 D CA 0.932 55.027 54.000 0.157 0.000 0.833 301 D CB -0.372 40.614 40.800 0.310 0.000 0.961 301 D HN 0.110 nan 8.370 nan 0.000 0.470 302 V N 0.851 120.799 119.914 0.057 0.000 2.343 302 V HA -0.203 3.917 4.120 0.001 0.000 0.247 302 V C 2.476 178.602 176.094 0.053 0.000 1.051 302 V CA 1.412 63.739 62.300 0.045 0.000 1.036 302 V CB -0.402 31.402 31.823 -0.032 0.000 0.654 302 V HN 0.220 nan 8.190 nan 0.000 0.451 303 Q N 0.004 119.827 119.800 0.039 0.000 2.119 303 Q HA -0.261 4.080 4.340 0.001 0.000 0.201 303 Q C 2.302 178.329 176.000 0.045 0.000 0.972 303 Q CA 2.144 57.968 55.803 0.035 0.000 0.847 303 Q CB -0.160 28.592 28.738 0.025 0.000 0.903 303 Q HN 0.786 nan 8.270 nan 0.000 0.433 304 Q N -0.325 119.508 119.800 0.054 0.000 2.050 304 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 304 Q C 2.234 178.270 176.000 0.060 0.000 0.980 304 Q CA 1.622 57.459 55.803 0.057 0.000 0.840 304 Q CB -0.071 28.708 28.738 0.067 0.000 0.898 304 Q HN 0.396 nan 8.270 nan 0.000 0.424 305 M N 0.145 119.789 119.600 0.073 0.000 2.082 305 M HA -0.237 4.244 4.480 0.001 0.000 0.258 305 M C 2.201 178.543 176.300 0.069 0.000 1.069 305 M CA 1.846 57.192 55.300 0.076 0.000 1.102 305 M CB -0.195 32.466 32.600 0.102 0.000 1.336 305 M HN 0.128 nan 8.290 nan 0.000 0.404 306 K N 0.001 120.441 120.400 0.068 0.000 2.057 306 K HA -0.103 4.218 4.320 0.001 0.000 0.207 306 K C 2.102 178.729 176.600 0.045 0.000 1.049 306 K CA 1.430 57.752 56.287 0.058 0.000 0.931 306 K CB -0.265 32.267 32.500 0.052 0.000 0.714 306 K HN 0.309 nan 8.250 nan 0.000 0.440 307 A N 1.289 124.134 122.820 0.041 0.000 1.883 307 A HA -0.274 4.047 4.320 0.001 0.000 0.217 307 A C 2.137 179.741 177.584 0.033 0.000 1.186 307 A CA 1.650 53.707 52.037 0.033 0.000 0.624 307 A CB -0.622 18.396 19.000 0.031 0.000 0.822 307 A HN 0.347 nan 8.150 nan 0.000 0.444 308 Q N -0.806 119.017 119.800 0.038 0.000 2.050 308 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 308 Q C 2.289 178.309 176.000 0.034 0.000 0.980 308 Q CA 1.654 57.478 55.803 0.035 0.000 0.840 308 Q CB -0.370 28.392 28.738 0.040 0.000 0.898 308 Q HN 0.635 nan 8.270 nan 0.000 0.424 309 A N 1.032 123.876 122.820 0.040 0.000 1.892 309 A HA -0.251 4.070 4.320 0.001 0.000 0.218 309 A C 2.014 179.618 177.584 0.032 0.000 1.188 309 A CA 1.815 53.876 52.037 0.039 0.000 0.631 309 A CB -0.601 18.428 19.000 0.049 0.000 0.822 309 A HN 0.371 nan 8.150 nan 0.000 0.447 310 R N -0.826 119.693 120.500 0.031 0.000 2.120 310 R HA -0.119 4.222 4.340 0.001 0.000 0.234 310 R C 2.272 178.585 176.300 0.023 0.000 1.123 310 R CA 1.340 57.456 56.100 0.026 0.000 0.975 310 R CB -0.247 30.068 30.300 0.025 0.000 0.866 310 R HN 0.770 nan 8.270 nan 0.000 0.446 311 E N 1.141 121.355 120.200 0.023 0.000 2.046 311 E HA -0.167 4.183 4.350 0.001 0.000 0.190 311 E C 1.546 178.157 176.600 0.019 0.000 0.982 311 E CA 0.945 57.357 56.400 0.020 0.000 0.800 311 E CB 0.203 29.915 29.700 0.021 0.000 0.756 311 E HN 0.340 nan 8.360 nan 0.000 0.449 312 E N 0.416 120.628 120.200 0.021 0.000 2.268 312 E HA -0.179 4.171 4.350 0.001 0.000 0.195 312 E C 1.983 178.594 176.600 0.018 0.000 0.995 312 E CA 0.589 57.000 56.400 0.019 0.000 0.836 312 E CB 0.055 29.767 29.700 0.020 0.000 0.763 312 E HN 0.109 nan 8.360 nan 0.000 0.491 313 K N 1.046 121.458 120.400 0.020 0.000 2.057 313 K HA -0.118 4.202 4.320 0.001 0.000 0.206 313 K C 2.017 178.627 176.600 0.017 0.000 1.050 313 K CA 0.852 57.150 56.287 0.018 0.000 0.935 313 K CB 0.054 32.566 32.500 0.020 0.000 0.715 313 K HN 0.069 nan 8.250 nan 0.000 0.439 314 L N 0.331 121.564 121.223 0.017 0.000 2.109 314 L HA -0.055 4.285 4.340 0.001 0.000 0.207 314 L C 2.635 179.514 176.870 0.014 0.000 1.086 314 L CA 0.918 55.767 54.840 0.016 0.000 0.760 314 L CB -0.571 41.497 42.059 0.015 0.000 0.910 314 L HN 0.276 nan 8.230 nan 0.000 0.437 315 A N 0.624 123.452 122.820 0.014 0.000 1.908 315 A HA -0.229 4.092 4.320 0.001 0.000 0.218 315 A C 2.329 179.919 177.584 0.011 0.000 1.181 315 A CA 1.776 53.820 52.037 0.012 0.000 0.627 315 A CB -0.337 18.670 19.000 0.012 0.000 0.818 315 A HN 0.327 nan 8.150 nan 0.000 0.445 316 K N -0.715 119.692 120.400 0.012 0.000 2.155 316 K HA -0.103 4.218 4.320 0.001 0.000 0.203 316 K C 2.319 178.927 176.600 0.013 0.000 1.052 316 K CA 1.204 57.498 56.287 0.011 0.000 0.948 316 K CB -0.146 32.360 32.500 0.011 0.000 0.728 316 K HN 0.582 nan 8.250 nan 0.000 0.448 317 Q N 0.310 120.119 119.800 0.015 0.000 2.061 317 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 317 Q C 2.243 178.253 176.000 0.016 0.000 0.984 317 Q CA 1.633 57.446 55.803 0.017 0.000 0.846 317 Q CB -0.178 28.571 28.738 0.018 0.000 0.902 317 Q HN 0.357 nan 8.270 nan 0.000 0.421 318 A N 0.917 123.745 122.820 0.013 0.000 1.877 318 A HA -0.271 4.049 4.320 0.001 0.000 0.216 318 A C 1.943 179.533 177.584 0.011 0.000 1.186 318 A CA 1.650 53.694 52.037 0.012 0.000 0.620 318 A CB -0.657 18.349 19.000 0.010 0.000 0.822 318 A HN 0.385 nan 8.150 nan 0.000 0.443 319 Q N -0.524 119.281 119.800 0.010 0.000 2.152 319 Q HA -0.151 4.189 4.340 0.001 0.000 0.206 319 Q C 0.854 176.859 176.000 0.010 0.000 0.985 319 Q CA 0.846 56.654 55.803 0.008 0.000 0.863 319 Q CB -0.131 28.610 28.738 0.006 0.000 0.904 319 Q HN 0.460 nan 8.270 nan 0.000 0.422 327 I N 1.726 122.329 120.570 0.056 0.000 2.783 327 I HA 0.550 4.721 4.170 0.001 0.000 0.312 327 I C 0.835 177.013 176.117 0.101 0.000 0.988 327 I CA -0.653 60.684 61.300 0.062 0.000 1.182 327 I CB 1.363 39.389 38.000 0.044 0.000 1.368 327 I HN 0.602 nan 8.210 nan 0.000 0.511 328 A N 2.501 125.386 122.820 0.108 0.000 2.292 328 A HA 0.569 4.890 4.320 0.001 0.000 0.265 328 A C 1.139 178.811 177.584 0.146 0.000 1.133 328 A CA 0.434 52.566 52.037 0.158 0.000 0.807 328 A CB 0.106 19.186 19.000 0.134 0.000 1.102 328 A HN 0.915 nan 8.150 nan 0.000 0.502 329 A N -0.567 122.364 122.820 0.185 0.000 1.903 329 A HA 0.019 4.340 4.320 0.001 0.000 0.213 329 A C 2.115 179.736 177.584 0.061 0.000 1.185 329 A CA 1.675 53.780 52.037 0.113 0.000 0.628 329 A CB -0.489 18.574 19.000 0.104 0.000 0.830 329 A HN 0.840 nan 8.150 nan 0.000 0.446 330 R N 0.589 121.128 120.500 0.065 0.000 2.105 330 R HA -0.137 4.204 4.340 0.001 0.000 0.239 330 R C 1.753 178.069 176.300 0.027 0.000 1.135 330 R CA 2.190 58.312 56.100 0.036 0.000 0.967 330 R CB -0.398 29.921 30.300 0.033 0.000 0.861 330 R HN 0.692 nan 8.270 nan 0.000 0.442 331 E N -0.820 119.402 120.200 0.036 0.000 2.122 331 E HA -0.052 4.299 4.350 0.001 0.000 0.190 331 E C 2.124 178.731 176.600 0.011 0.000 0.977 331 E CA 0.576 56.989 56.400 0.023 0.000 0.820 331 E CB -0.017 29.701 29.700 0.031 0.000 0.770 331 E HN 0.266 nan 8.360 nan 0.000 0.462 332 R N 0.779 121.290 120.500 0.019 0.000 2.105 332 R HA -0.129 4.211 4.340 0.001 0.000 0.239 332 R C 2.321 178.610 176.300 -0.019 0.000 1.135 332 R CA 1.350 57.451 56.100 0.001 0.000 0.967 332 R CB -0.261 30.048 30.300 0.015 0.000 0.861 332 R HN 0.112 nan 8.270 nan 0.000 0.442 333 A N 0.855 123.671 122.820 -0.006 0.000 1.930 333 A HA -0.169 4.152 4.320 0.001 0.000 0.217 333 A C 1.854 179.426 177.584 -0.019 0.000 1.175 333 A CA 1.280 53.313 52.037 -0.007 0.000 0.627 333 A CB -0.244 18.761 19.000 0.007 0.000 0.815 333 A HN 0.309 nan 8.150 nan 0.000 0.443 334 E N -0.155 120.036 120.200 -0.015 0.000 2.072 334 E HA -0.148 4.203 4.350 0.001 0.000 0.191 334 E C 2.038 178.613 176.600 -0.042 0.000 0.985 334 E CA 1.204 57.594 56.400 -0.017 0.000 0.801 334 E CB -0.106 29.590 29.700 -0.007 0.000 0.750 334 E HN 0.543 nan 8.360 nan 0.000 0.452 335 K N 0.746 121.114 120.400 -0.052 0.000 2.097 335 K HA -0.157 4.164 4.320 0.001 0.000 0.205 335 K C 2.136 178.647 176.600 -0.149 0.000 1.050 335 K CA 0.965 57.206 56.287 -0.078 0.000 0.938 335 K CB -0.033 32.429 32.500 -0.062 0.000 0.718 335 K HN -0.148 nan 8.250 nan 0.000 0.442 336 K N 1.522 121.811 120.400 -0.185 0.000 2.057 336 K HA -0.218 4.103 4.320 0.001 0.000 0.207 336 K C 2.152 178.444 176.600 -0.514 0.000 1.049 336 K CA 1.515 57.572 56.287 -0.382 0.000 0.931 336 K CB -0.146 32.181 32.500 -0.288 0.000 0.714 336 K HN -0.024 nan 8.250 nan 0.000 0.440 337 Q N 0.640 120.328 119.800 -0.187 0.000 2.135 337 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 337 Q C 2.071 178.050 176.000 -0.035 0.000 0.981 337 Q CA 1.902 57.695 55.803 -0.016 0.000 0.856 337 Q CB -0.205 28.554 28.738 0.034 0.000 0.902 337 Q HN 0.513 nan 8.270 nan 0.000 0.425 338 Q N -0.310 119.442 119.800 -0.080 0.000 2.049 338 Q HA -0.181 4.159 4.340 0.001 0.000 0.198 338 Q C 1.869 177.824 176.000 -0.075 0.000 0.971 338 Q CA 1.500 57.271 55.803 -0.053 0.000 0.833 338 Q CB -0.017 28.691 28.738 -0.050 0.000 0.896 338 Q HN 0.558 nan 8.270 nan 0.000 0.434 339 E N -0.406 119.697 120.200 -0.162 0.000 2.086 339 E HA -0.245 4.106 4.350 0.001 0.000 0.200 339 E C 1.831 178.377 176.600 -0.091 0.000 1.012 339 E CA 1.807 58.104 56.400 -0.171 0.000 0.812 339 E CB -0.295 29.235 29.700 -0.282 0.000 0.743 339 E HN 0.526 nan 8.360 nan 0.000 0.453 340 Y N 0.866 121.135 120.300 -0.051 0.000 2.165 340 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 340 Y C 2.627 178.488 175.900 -0.065 0.000 1.155 340 Y CA 0.892 58.950 58.100 -0.071 0.000 1.164 340 Y CB -0.131 38.284 38.460 -0.076 0.000 0.978 340 Y HN 0.113 nan 8.280 nan 0.000 0.513 341 Q N 0.089 119.950 119.800 0.102 0.000 2.084 341 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 341 Q C 1.601 177.612 176.000 0.018 0.000 0.978 341 Q CA 1.559 57.393 55.803 0.052 0.000 0.844 341 Q CB -0.094 28.670 28.738 0.043 0.000 0.898 341 Q HN 0.482 nan 8.270 nan 0.000 0.426 342 D N 0.248 120.651 120.400 0.005 0.000 2.117 342 D HA -0.109 4.532 4.640 0.001 0.000 0.198 342 D C 1.859 178.151 176.300 -0.014 0.000 0.982 342 D CA 1.052 55.047 54.000 -0.009 0.000 0.828 342 D CB -0.106 40.683 40.800 -0.018 0.000 0.967 342 D HN 0.167 nan 8.370 nan 0.000 0.464 343 R N 0.001 120.495 120.500 -0.010 0.000 2.075 343 R HA -0.056 4.284 4.340 0.001 0.000 0.232 343 R C 2.234 178.502 176.300 -0.052 0.000 1.126 343 R CA 0.429 56.516 56.100 -0.021 0.000 0.963 343 R CB -0.414 29.885 30.300 -0.002 0.000 0.858 343 R HN 0.118 nan 8.270 nan 0.000 0.435 344 L N 1.391 122.575 121.223 -0.064 0.000 2.042 344 L HA -0.171 4.170 4.340 0.001 0.000 0.210 344 L C 2.308 179.118 176.870 -0.100 0.000 1.076 344 L CA 1.779 56.540 54.840 -0.133 0.000 0.749 344 L CB -0.503 41.462 42.059 -0.158 0.000 0.893 344 L HN 0.019 nan 8.230 nan 0.000 0.432 345 R N -0.907 119.563 120.500 -0.049 0.000 2.070 345 R HA -0.233 4.107 4.340 0.001 0.000 0.233 345 R C 2.455 178.735 176.300 -0.032 0.000 1.137 345 R CA 1.953 58.035 56.100 -0.029 0.000 0.945 345 R CB -0.349 29.945 30.300 -0.010 0.000 0.845 345 R HN 0.616 nan 8.270 nan 0.000 0.430 346 Q N 0.255 120.036 119.800 -0.032 0.000 2.061 346 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 346 Q C 2.186 178.163 176.000 -0.038 0.000 0.984 346 Q CA 2.246 58.032 55.803 -0.029 0.000 0.846 346 Q CB -0.142 28.581 28.738 -0.025 0.000 0.902 346 Q HN 0.401 nan 8.270 nan 0.000 0.421 347 M N -0.032 119.535 119.600 -0.056 0.000 2.082 347 M HA -0.292 4.188 4.480 0.001 0.000 0.258 347 M C 2.030 178.292 176.300 -0.065 0.000 1.069 347 M CA 1.914 57.174 55.300 -0.067 0.000 1.102 347 M CB -0.051 32.488 32.600 -0.101 0.000 1.336 347 M HN 0.306 nan 8.290 nan 0.000 0.404 348 Q N -0.446 119.309 119.800 -0.075 0.000 2.124 348 Q HA -0.230 4.110 4.340 0.001 0.000 0.202 348 Q C 1.970 177.953 176.000 -0.028 0.000 0.977 348 Q CA 1.735 57.504 55.803 -0.056 0.000 0.850 348 Q CB -0.253 28.454 28.738 -0.052 0.000 0.901 348 Q HN 0.654 nan 8.270 nan 0.000 0.429 349 E N 1.292 121.478 120.200 -0.024 0.000 2.031 349 E HA -0.225 4.126 4.350 0.001 0.000 0.193 349 E C 1.609 178.201 176.600 -0.013 0.000 0.994 349 E CA 1.093 57.485 56.400 -0.013 0.000 0.800 349 E CB 0.117 29.810 29.700 -0.012 0.000 0.752 349 E HN 0.356 nan 8.360 nan 0.000 0.447 350 E N -0.083 120.107 120.200 -0.017 0.000 2.153 350 E HA -0.186 4.164 4.350 0.001 0.000 0.194 350 E C 2.196 178.789 176.600 -0.013 0.000 0.988 350 E CA 1.129 57.521 56.400 -0.014 0.000 0.811 350 E CB -0.053 29.637 29.700 -0.017 0.000 0.746 350 E HN 0.356 nan 8.360 nan 0.000 0.466 351 M N 0.370 119.959 119.600 -0.018 0.000 2.086 351 M HA -0.189 4.291 4.480 0.001 0.000 0.261 351 M C 2.074 178.370 176.300 -0.006 0.000 1.067 351 M CA 1.521 56.813 55.300 -0.014 0.000 1.116 351 M CB -0.148 32.440 32.600 -0.021 0.000 1.348 351 M HN 0.051 nan 8.290 nan 0.000 0.407 352 E N -0.336 119.861 120.200 -0.005 0.000 2.110 352 E HA -0.215 4.135 4.350 0.001 0.000 0.193 352 E C 2.097 178.697 176.600 0.001 0.000 0.988 352 E CA 0.893 57.293 56.400 0.000 0.000 0.804 352 E CB -0.179 29.523 29.700 0.002 0.000 0.745 352 E HN 0.390 nan 8.360 nan 0.000 0.458 353 R N 0.600 121.100 120.500 -0.001 0.000 2.073 353 R HA -0.110 4.230 4.340 0.001 0.000 0.234 353 R C 2.380 178.680 176.300 0.001 0.000 1.134 353 R CA 1.614 57.714 56.100 -0.000 0.000 0.952 353 R CB -0.080 30.219 30.300 -0.002 0.000 0.850 353 R HN 0.003 nan 8.270 nan 0.000 0.433 354 S N 0.547 116.247 115.700 -0.000 0.000 2.382 354 S HA -0.188 4.283 4.470 0.001 0.000 0.228 354 S C 1.709 176.311 174.600 0.003 0.000 1.027 354 S CA 1.407 59.608 58.200 0.001 0.000 0.991 354 S CB -0.181 63.020 63.200 0.001 0.000 0.823 354 S HN 0.342 nan 8.310 nan 0.000 0.469 355 Q N 1.762 121.564 119.800 0.003 0.000 2.079 355 Q HA 0.040 4.380 4.340 0.001 0.000 0.200 355 Q C 2.064 178.067 176.000 0.006 0.000 0.974 355 Q CA 1.718 57.525 55.803 0.005 0.000 0.840 355 Q CB -0.660 28.082 28.738 0.006 0.000 0.898 355 Q HN 0.445 nan 8.270 nan 0.000 0.430 356 A N 0.647 123.470 122.820 0.005 0.000 1.851 356 A HA -0.266 4.054 4.320 0.001 0.000 0.216 356 A C 1.938 179.525 177.584 0.004 0.000 1.195 356 A CA 1.861 53.901 52.037 0.005 0.000 0.622 356 A CB -1.100 17.902 19.000 0.004 0.000 0.831 356 A HN 0.659 nan 8.150 nan 0.000 0.444 357 N N -0.714 117.988 118.700 0.004 0.000 2.137 357 N HA -0.192 4.549 4.740 0.001 0.000 0.190 357 N C 1.678 177.190 175.510 0.004 0.000 1.017 357 N CA 1.340 54.392 53.050 0.004 0.000 0.859 357 N CB -0.224 38.264 38.487 0.003 0.000 1.002 357 N HN 0.415 nan 8.380 nan 0.000 0.428 358 L N 1.335 122.561 121.223 0.005 0.000 2.023 358 L HA -0.055 4.285 4.340 0.001 0.000 0.205 358 L C 1.987 178.860 176.870 0.006 0.000 1.073 358 L CA 1.266 56.109 54.840 0.006 0.000 0.745 358 L CB -0.354 41.709 42.059 0.006 0.000 0.900 358 L HN 0.155 nan 8.230 nan 0.000 0.435 359 L N -0.655 120.572 121.223 0.006 0.000 2.131 359 L HA -0.226 4.115 4.340 0.001 0.000 0.210 359 L C 2.518 179.391 176.870 0.005 0.000 1.092 359 L CA 1.653 56.496 54.840 0.006 0.000 0.759 359 L CB -0.682 41.380 42.059 0.006 0.000 0.903 359 L HN 0.469 nan 8.230 nan 0.000 0.435 360 E N 0.470 120.673 120.200 0.005 0.000 2.051 360 E HA -0.220 4.130 4.350 0.001 0.000 0.192 360 E C 2.259 178.861 176.600 0.004 0.000 0.991 360 E CA 1.256 57.658 56.400 0.004 0.000 0.799 360 E CB 0.022 29.724 29.700 0.004 0.000 0.748 360 E HN 0.433 nan 8.360 nan 0.000 0.449 361 A N 0.622 123.444 122.820 0.004 0.000 1.933 361 A HA -0.232 4.088 4.320 0.001 0.000 0.218 361 A C 2.074 179.660 177.584 0.004 0.000 1.175 361 A CA 1.537 53.576 52.037 0.004 0.000 0.628 361 A CB -0.490 18.512 19.000 0.004 0.000 0.814 361 A HN 0.315 nan 8.150 nan 0.000 0.444 362 Q N -0.791 119.011 119.800 0.004 0.000 2.020 362 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 362 Q C 1.933 177.935 176.000 0.004 0.000 0.982 362 Q CA 1.793 57.599 55.803 0.004 0.000 0.838 362 Q CB -0.282 28.459 28.738 0.005 0.000 0.899 362 Q HN 0.850 nan 8.270 nan 0.000 0.423 363 D N 0.152 120.554 120.400 0.004 0.000 2.123 363 D HA -0.218 4.422 4.640 0.001 0.000 0.196 363 D C 1.983 178.285 176.300 0.003 0.000 0.992 363 D CA 1.321 55.323 54.000 0.004 0.000 0.833 363 D CB -0.028 40.774 40.800 0.004 0.000 0.954 363 D HN 0.140 nan 8.370 nan 0.000 0.455 364 M N -0.173 119.429 119.600 0.003 0.000 2.065 364 M HA -0.142 4.339 4.480 0.001 0.000 0.259 364 M C 2.110 178.412 176.300 0.003 0.000 1.069 364 M CA 1.481 56.782 55.300 0.003 0.000 1.110 364 M CB -0.179 32.422 32.600 0.003 0.000 1.328 364 M HN 0.176 nan 8.290 nan 0.000 0.405 365 I N 0.166 120.737 120.570 0.003 0.000 2.194 365 I HA -0.347 3.824 4.170 0.001 0.000 0.246 365 I C 2.258 178.376 176.117 0.002 0.000 1.093 365 I CA 1.144 62.446 61.300 0.003 0.000 1.355 365 I CB -0.332 37.669 38.000 0.003 0.000 1.046 365 I HN 0.373 nan 8.210 nan 0.000 0.413 366 L N 0.563 121.787 121.223 0.003 0.000 2.027 366 L HA -0.175 4.165 4.340 0.001 0.000 0.206 366 L C 2.605 179.476 176.870 0.002 0.000 1.074 366 L CA 1.776 56.618 54.840 0.002 0.000 0.745 366 L CB -0.531 41.530 42.059 0.003 0.000 0.898 366 L HN 0.070 nan 8.230 nan 0.000 0.433 367 R N -0.981 119.521 120.500 0.002 0.000 2.096 367 R HA -0.111 4.230 4.340 0.001 0.000 0.235 367 R C 2.236 178.537 176.300 0.002 0.000 1.127 367 R CA 1.415 57.517 56.100 0.002 0.000 0.968 367 R CB -0.468 29.834 30.300 0.002 0.000 0.861 367 R HN 0.377 nan 8.270 nan 0.000 0.440 368 L N 0.524 121.748 121.223 0.002 0.000 2.056 368 L HA -0.165 4.175 4.340 0.001 0.000 0.207 368 L C 2.109 178.980 176.870 0.002 0.000 1.078 368 L CA 1.436 56.277 54.840 0.002 0.000 0.749 368 L CB -0.319 41.741 42.059 0.002 0.000 0.901 368 L HN 0.205 nan 8.230 nan 0.000 0.433 369 E N -0.419 119.781 120.200 0.002 0.000 2.204 369 E HA -0.242 4.108 4.350 0.001 0.000 0.194 369 E C 1.997 178.598 176.600 0.001 0.000 0.989 369 E CA 0.772 57.173 56.400 0.001 0.000 0.824 369 E CB 0.098 29.799 29.700 0.001 0.000 0.756 369 E HN 0.439 nan 8.360 nan 0.000 0.477 370 E N 0.886 121.087 120.200 0.001 0.000 2.072 370 E HA -0.199 4.152 4.350 0.001 0.000 0.190 370 E C 1.940 178.540 176.600 0.001 0.000 0.982 370 E CA 0.798 57.199 56.400 0.001 0.000 0.803 370 E CB 0.166 29.867 29.700 0.001 0.000 0.755 370 E HN 0.226 nan 8.360 nan 0.000 0.453 371 Q N 0.133 119.933 119.800 0.001 0.000 2.167 371 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 371 Q C 2.297 178.298 176.000 0.001 0.000 0.970 371 Q CA 0.903 56.707 55.803 0.001 0.000 0.855 371 Q CB 0.075 28.814 28.738 0.001 0.000 0.911 371 Q HN 0.334 nan 8.270 nan 0.000 0.438 372 L N 0.174 121.398 121.223 0.001 0.000 2.141 372 L HA -0.162 4.179 4.340 0.001 0.000 0.209 372 L C 2.312 179.182 176.870 0.001 0.000 1.094 372 L CA 0.995 55.835 54.840 0.001 0.000 0.763 372 L CB -0.224 41.836 42.059 0.001 0.000 0.908 372 L HN 0.170 nan 8.230 nan 0.000 0.437 373 R N -0.417 120.083 120.500 0.001 0.000 2.119 373 R HA -0.098 4.243 4.340 0.001 0.000 0.222 373 R C 2.107 178.407 176.300 0.001 0.000 1.088 373 R CA 0.845 56.945 56.100 0.001 0.000 0.984 373 R CB -0.310 29.991 30.300 0.001 0.000 0.884 373 R HN 0.496 nan 8.270 nan 0.000 0.447 374 Q N 0.669 120.469 119.800 0.001 0.000 2.167 374 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 374 Q C 2.102 178.102 176.000 0.001 0.000 0.970 374 Q CA 0.987 56.791 55.803 0.001 0.000 0.855 374 Q CB 0.061 28.799 28.738 0.001 0.000 0.911 374 Q HN 0.329 nan 8.270 nan 0.000 0.438 375 L N -0.052 121.171 121.223 0.001 0.000 2.341 375 L HA -0.101 4.240 4.340 0.001 0.000 0.214 375 L C 2.142 179.012 176.870 0.001 0.000 1.115 375 L CA 0.653 55.493 54.840 0.001 0.000 0.820 375 L CB -0.103 41.957 42.059 0.001 0.000 0.944 375 L HN 0.255 nan 8.230 nan 0.000 0.452 376 Q N -0.321 119.479 119.800 0.001 0.000 2.269 376 Q HA -0.033 4.308 4.340 0.001 0.000 0.201 376 Q C 2.359 178.359 176.000 0.000 0.000 0.946 376 Q CA 1.085 56.888 55.803 0.000 0.000 0.877 376 Q CB 0.105 28.843 28.738 0.000 0.000 0.963 376 Q HN 0.516 nan 8.270 nan 0.000 0.472 377 A N 0.698 123.519 122.820 0.000 0.000 1.930 377 A HA 0.025 4.345 4.320 0.001 0.000 0.215 377 A C 2.173 179.757 177.584 0.000 0.000 1.176 377 A CA 1.296 53.333 52.037 0.000 0.000 0.632 377 A CB -0.385 18.616 19.000 0.001 0.000 0.819 377 A HN 0.350 nan 8.150 nan 0.000 0.445 378 A N 0.108 122.928 122.820 0.001 0.000 1.929 378 A HA -0.068 4.252 4.320 0.001 0.000 0.216 378 A C 2.094 179.679 177.584 0.000 0.000 1.176 378 A CA 1.775 53.812 52.037 0.001 0.000 0.628 378 A CB -0.373 18.627 19.000 0.001 0.000 0.816 378 A HN 0.555 nan 8.150 nan 0.000 0.444 379 K N 0.123 120.523 120.400 0.000 0.000 2.025 379 K HA -0.152 4.169 4.320 0.001 0.000 0.207 379 K C 1.705 178.305 176.600 0.000 0.000 1.049 379 K CA 1.660 57.948 56.287 0.000 0.000 0.933 379 K CB -0.231 32.269 32.500 0.000 0.000 0.714 379 K HN 0.530 nan 8.250 nan 0.000 0.438 380 E N 0.252 120.452 120.200 0.000 0.000 2.268 380 E HA -0.190 4.161 4.350 0.001 0.000 0.195 380 E C 1.819 178.419 176.600 0.000 0.000 0.995 380 E CA 0.893 57.293 56.400 0.000 0.000 0.836 380 E CB 0.146 29.846 29.700 0.000 0.000 0.763 380 E HN 0.447 nan 8.360 nan 0.000 0.491 381 E N 0.725 120.925 120.200 0.000 0.000 2.076 381 E HA -0.130 4.221 4.350 0.001 0.000 0.190 381 E C 2.044 178.644 176.600 0.000 0.000 0.979 381 E CA 0.415 56.815 56.400 0.000 0.000 0.807 381 E CB 0.112 29.812 29.700 0.000 0.000 0.761 381 E HN 0.186 nan 8.360 nan 0.000 0.454 382 L N 0.862 122.085 121.223 0.000 0.000 2.046 382 L HA -0.186 4.155 4.340 0.001 0.000 0.208 382 L C 2.392 179.262 176.870 0.000 0.000 1.077 382 L CA 1.349 56.189 54.840 0.000 0.000 0.747 382 L CB -0.336 41.724 42.059 0.000 0.000 0.896 382 L HN 0.194 nan 8.230 nan 0.000 0.432 383 E N -0.439 119.761 120.200 0.000 0.000 2.110 383 E HA -0.295 4.056 4.350 0.001 0.000 0.193 383 E C 2.140 178.740 176.600 0.000 0.000 0.988 383 E CA 1.129 57.529 56.400 0.000 0.000 0.804 383 E CB -0.059 29.641 29.700 0.000 0.000 0.745 383 E HN 0.490 nan 8.360 nan 0.000 0.458 384 Q N 1.004 120.804 119.800 0.000 0.000 2.079 384 Q HA -0.166 4.174 4.340 0.001 0.000 0.200 384 Q C 2.097 178.097 176.000 0.000 0.000 0.974 384 Q CA 1.148 56.952 55.803 0.000 0.000 0.840 384 Q CB 0.116 28.854 28.738 0.000 0.000 0.898 384 Q HN 0.154 nan 8.270 nan 0.000 0.430 385 R N -0.048 120.452 120.500 0.000 0.000 2.092 385 R HA -0.120 4.221 4.340 0.001 0.000 0.231 385 R C 2.438 178.738 176.300 0.000 0.000 1.119 385 R CA 1.457 57.557 56.100 0.000 0.000 0.970 385 R CB -0.191 30.109 30.300 0.000 0.000 0.864 385 R HN 0.419 nan 8.270 nan 0.000 0.440 386 Q N 0.495 120.295 119.800 0.000 0.000 2.061 386 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 386 Q C 1.913 177.913 176.000 0.000 0.000 0.984 386 Q CA 1.768 57.571 55.803 0.000 0.000 0.846 386 Q CB -0.168 28.570 28.738 0.000 0.000 0.902 386 Q HN 0.207 nan 8.270 nan 0.000 0.421 387 N N 0.489 119.189 118.700 0.000 0.000 2.166 387 N HA -0.174 4.566 4.740 0.001 0.000 0.186 387 N C 1.168 176.678 175.510 0.000 0.000 1.019 387 N CA 1.459 54.509 53.050 0.000 0.000 0.856 387 N CB 0.116 38.603 38.487 0.000 0.000 0.993 387 N HN 0.235 nan 8.380 nan 0.000 0.426 388 E N -0.550 119.650 120.200 0.000 0.000 2.158 388 E HA 0.014 4.365 4.350 0.001 0.000 0.191 388 E C 1.853 178.453 176.600 0.000 0.000 0.982 388 E CA 0.304 56.704 56.400 0.000 0.000 0.823 388 E CB 0.053 29.753 29.700 0.000 0.000 0.766 388 E HN 0.350 nan 8.360 nan 0.000 0.468 389 L N 0.824 122.047 121.223 0.000 0.000 2.141 389 L HA -0.188 4.153 4.340 0.001 0.000 0.209 389 L C 2.399 179.269 176.870 0.000 0.000 1.094 389 L CA 1.082 55.922 54.840 0.000 0.000 0.763 389 L CB -0.091 41.968 42.059 0.000 0.000 0.908 389 L HN 0.158 nan 8.230 nan 0.000 0.437 390 Q N -0.780 119.020 119.800 0.000 0.000 2.123 390 Q HA -0.137 4.204 4.340 0.001 0.000 0.199 390 Q C 2.388 178.388 176.000 0.000 0.000 0.966 390 Q CA 1.303 57.106 55.803 0.000 0.000 0.845 390 Q CB -0.096 28.642 28.738 0.000 0.000 0.907 390 Q HN 0.557 nan 8.270 nan 0.000 0.439 391 A N 1.621 124.441 122.820 0.000 0.000 1.898 391 A HA -0.196 4.125 4.320 0.001 0.000 0.216 391 A C 2.144 179.728 177.584 0.000 0.000 1.181 391 A CA 1.641 53.678 52.037 0.000 0.000 0.620 391 A CB -0.597 18.404 19.000 -0.000 0.000 0.819 391 A HN 0.519 nan 8.150 nan 0.000 0.442 392 M N -2.252 117.349 119.600 0.000 0.000 2.254 392 M HA 0.077 4.558 4.480 0.001 0.000 0.265 392 M C 2.261 178.561 176.300 0.000 0.000 1.066 392 M CA 2.189 57.489 55.300 0.000 0.000 1.123 392 M CB -0.445 32.155 32.600 0.000 0.000 1.388 392 M HN 0.303 nan 8.290 nan 0.000 0.425 393 M N 0.828 120.428 119.600 0.000 0.000 2.175 393 M HA -0.164 4.317 4.480 0.001 0.000 0.264 393 M C 2.118 178.418 176.300 0.000 0.000 1.063 393 M CA 1.839 57.139 55.300 0.000 0.000 1.119 393 M CB -0.029 32.571 32.600 0.000 0.000 1.377 393 M HN 0.410 nan 8.290 nan 0.000 0.415 394 Q N -0.620 119.180 119.800 0.000 0.000 2.172 394 Q HA -0.119 4.222 4.340 0.001 0.000 0.200 394 Q C 1.923 177.923 176.000 0.000 0.000 0.964 394 Q CA 1.177 56.980 55.803 0.000 0.000 0.855 394 Q CB 0.031 28.769 28.738 0.000 0.000 0.918 394 Q HN 0.529 nan 8.270 nan 0.000 0.444 395 R N -0.153 120.347 120.500 0.000 0.000 2.127 395 R HA 0.073 4.413 4.340 0.001 0.000 0.217 395 R C 2.002 178.302 176.300 0.000 0.000 1.074 395 R CA 0.540 56.640 56.100 0.000 0.000 0.991 395 R CB 0.114 30.414 30.300 0.000 0.000 0.895 395 R HN 0.209 nan 8.270 nan 0.000 0.450 396 L N 0.334 121.557 121.223 0.000 0.000 2.270 396 L HA -0.032 4.309 4.340 0.001 0.000 0.210 396 L C 1.914 178.784 176.870 0.000 0.000 1.104 396 L CA 0.976 55.816 54.840 0.000 0.000 0.804 396 L CB -0.138 41.921 42.059 0.000 0.000 0.937 396 L HN 0.193 nan 8.230 nan 0.000 0.450 397 E N 0.284 120.484 120.200 0.000 0.000 2.107 397 E HA -0.199 4.152 4.350 0.001 0.000 0.191 397 E C 1.950 178.550 176.600 0.000 0.000 0.982 397 E CA 0.948 57.348 56.400 0.000 0.000 0.809 397 E CB 0.115 29.815 29.700 0.000 0.000 0.756 397 E HN 0.496 nan 8.360 nan 0.000 0.459 398 E N 0.334 120.534 120.200 0.000 0.000 2.106 398 E HA -0.073 4.278 4.350 0.001 0.000 0.192 398 E C 0.784 177.384 176.600 0.000 0.000 0.984 398 E CA 0.789 57.189 56.400 0.000 0.000 0.806 398 E CB 0.045 29.745 29.700 -0.000 0.000 0.750 398 E HN 0.111 nan 8.360 nan 0.000 0.458 411 E N 0.747 120.947 120.200 0.000 0.000 2.427 411 E HA -0.133 4.217 4.350 0.001 0.000 0.196 411 E C 1.077 177.677 176.600 0.000 0.000 1.028 411 E CA 0.902 57.302 56.400 0.000 0.000 0.864 411 E CB 0.207 29.907 29.700 0.000 0.000 0.813 411 E HN 0.300 nan 8.360 nan 0.000 0.514 412 D N 0.808 121.208 120.400 0.000 0.000 2.240 412 D HA -0.071 4.569 4.640 0.001 0.000 0.206 412 D C 1.358 177.658 176.300 0.000 0.000 0.963 412 D CA 0.750 54.750 54.000 0.000 0.000 0.863 412 D CB 0.291 41.091 40.800 0.000 0.000 0.973 412 D HN 0.143 nan 8.370 nan 0.000 0.501 413 E N -0.313 119.887 120.200 0.000 0.000 2.216 413 E HA -0.017 4.333 4.350 0.001 0.000 0.192 413 E C 2.143 178.744 176.600 0.000 0.000 0.988 413 E CA 0.309 56.709 56.400 0.000 0.000 0.834 413 E CB 0.239 29.939 29.700 0.000 0.000 0.772 413 E HN 0.369 nan 8.360 nan 0.000 0.479 414 I N 0.813 121.383 120.570 0.000 0.000 2.394 414 I HA -0.221 3.950 4.170 0.001 0.000 0.251 414 I C 2.411 178.528 176.117 0.000 0.000 1.136 414 I CA 0.915 62.215 61.300 0.000 0.000 1.425 414 I CB -0.108 37.892 38.000 0.000 0.000 1.079 414 I HN 0.016 nan 8.210 nan 0.000 0.425 415 R N 0.670 121.170 120.500 0.000 0.000 2.073 415 R HA -0.032 4.308 4.340 0.001 0.000 0.229 415 R C 2.478 178.779 176.300 0.000 0.000 1.120 415 R CA 1.326 57.426 56.100 0.000 0.000 0.967 415 R CB -0.391 29.909 30.300 0.000 0.000 0.862 415 R HN 0.317 nan 8.270 nan 0.000 0.436 416 A N 1.540 124.360 122.820 0.000 0.000 1.933 416 A HA -0.149 4.172 4.320 0.001 0.000 0.218 416 A C 1.861 179.445 177.584 0.000 0.000 1.175 416 A CA 1.294 53.331 52.037 0.000 0.000 0.628 416 A CB -0.123 18.877 19.000 0.000 0.000 0.814 416 A HN 0.065 nan 8.150 nan 0.000 0.444 417 K N -0.565 119.835 120.400 0.000 0.000 2.116 417 K HA -0.089 4.232 4.320 0.001 0.000 0.203 417 K C 2.143 178.743 176.600 0.000 0.000 1.052 417 K CA 1.311 57.598 56.287 0.000 0.000 0.952 417 K CB -0.372 32.128 32.500 0.000 0.000 0.729 417 K HN 0.728 nan 8.250 nan 0.000 0.446 418 Q N 1.219 121.019 119.800 0.000 0.000 2.119 418 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 418 Q C 1.521 177.521 176.000 0.000 0.000 0.972 418 Q CA 1.333 57.136 55.803 0.000 0.000 0.847 418 Q CB 0.197 28.935 28.738 0.000 0.000 0.903 418 Q HN 0.337 nan 8.270 nan 0.000 0.433 419 E N 0.267 120.467 120.200 0.000 0.000 2.072 419 E HA -0.183 4.168 4.350 0.001 0.000 0.191 419 E C 1.861 178.461 176.600 0.000 0.000 0.985 419 E CA 1.184 57.584 56.400 0.000 0.000 0.801 419 E CB 0.069 29.769 29.700 0.000 0.000 0.750 419 E HN 0.401 nan 8.360 nan 0.000 0.452 420 E N 0.290 120.490 120.200 0.000 0.000 2.150 420 E HA -0.134 4.217 4.350 0.001 0.000 0.193 420 E C 2.147 178.748 176.600 0.000 0.000 0.985 420 E CA 0.729 57.129 56.400 0.000 0.000 0.814 420 E CB 0.162 29.863 29.700 0.000 0.000 0.752 420 E HN 0.074 nan 8.360 nan 0.000 0.466 421 V N 0.771 120.685 119.914 0.000 0.000 2.343 421 V HA -0.235 3.886 4.120 0.001 0.000 0.247 421 V C 2.222 178.316 176.094 0.000 0.000 1.051 421 V CA 1.771 64.071 62.300 0.000 0.000 1.036 421 V CB -0.304 31.519 31.823 0.000 0.000 0.654 421 V HN 0.190 nan 8.190 nan 0.000 0.451 422 S N -0.621 115.079 115.700 0.000 0.000 2.383 422 S HA -0.124 4.346 4.470 0.001 0.000 0.227 422 S C 2.084 176.684 174.600 0.000 0.000 1.026 422 S CA 1.163 59.363 58.200 0.000 0.000 0.981 422 S CB -0.245 62.955 63.200 0.000 0.000 0.818 422 S HN 0.530 nan 8.310 nan 0.000 0.472 423 R N 0.568 121.068 120.500 0.000 0.000 2.148 423 R HA 0.141 4.481 4.340 0.001 0.000 0.227 423 R C 1.961 178.261 176.300 0.000 0.000 1.103 423 R CA 0.886 56.986 56.100 0.000 0.000 0.983 423 R CB -0.305 29.995 30.300 0.000 0.000 0.874 423 R HN 0.395 nan 8.270 nan 0.000 0.451 424 I N 0.371 120.941 120.570 0.000 0.000 2.439 424 I HA -0.220 3.951 4.170 0.001 0.000 0.251 424 I C 2.392 178.509 176.117 0.000 0.000 1.139 424 I CA 0.912 62.212 61.300 0.000 0.000 1.438 424 I CB -0.046 37.954 38.000 0.000 0.000 1.085 424 I HN 0.117 nan 8.210 nan 0.000 0.427 425 Q N 1.002 120.802 119.800 0.000 0.000 2.172 425 Q HA -0.193 4.147 4.340 0.001 0.000 0.200 425 Q C 2.070 178.070 176.000 0.000 0.000 0.964 425 Q CA 1.543 57.346 55.803 0.000 0.000 0.855 425 Q CB -0.065 28.674 28.738 0.000 0.000 0.918 425 Q HN 0.467 nan 8.270 nan 0.000 0.444 426 Q N -0.152 119.648 119.800 0.000 0.000 2.084 426 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 426 Q C 1.899 177.899 176.000 0.000 0.000 0.978 426 Q CA 1.579 57.383 55.803 0.000 0.000 0.844 426 Q CB -0.044 28.695 28.738 0.000 0.000 0.898 426 Q HN 0.535 nan 8.270 nan 0.000 0.426 427 E N -0.064 120.137 120.200 0.000 0.000 2.150 427 E HA -0.127 4.224 4.350 0.001 0.000 0.193 427 E C 2.065 178.665 176.600 0.000 0.000 0.985 427 E CA 0.998 57.398 56.400 0.000 0.000 0.814 427 E CB 0.139 29.839 29.700 0.000 0.000 0.752 427 E HN 0.151 nan 8.360 nan 0.000 0.466 428 V N 1.623 121.537 119.914 0.000 0.000 2.427 428 V HA -0.221 3.899 4.120 0.001 0.000 0.248 428 V C 2.043 178.137 176.094 0.000 0.000 1.051 428 V CA 1.653 63.953 62.300 0.000 0.000 1.048 428 V CB -0.401 31.422 31.823 0.000 0.000 0.666 428 V HN 0.218 nan 8.190 nan 0.000 0.456 429 E N -0.194 120.006 120.200 0.000 0.000 2.106 429 E HA -0.218 4.133 4.350 0.001 0.000 0.192 429 E C 2.142 178.742 176.600 0.001 0.000 0.984 429 E CA 1.172 57.572 56.400 0.000 0.000 0.806 429 E CB -0.158 29.542 29.700 0.000 0.000 0.750 429 E HN 0.431 nan 8.360 nan 0.000 0.458 430 L N 1.652 122.876 121.223 0.001 0.000 2.017 430 L HA -0.176 4.164 4.340 0.001 0.000 0.208 430 L C 1.881 178.751 176.870 0.001 0.000 1.073 430 L CA 1.842 56.682 54.840 0.001 0.000 0.745 430 L CB -0.054 42.005 42.059 0.001 0.000 0.894 430 L HN -0.116 nan 8.230 nan 0.000 0.432 431 K N -0.857 119.543 120.400 0.001 0.000 2.366 431 K HA -0.063 4.258 4.320 0.001 0.000 0.198 431 K C 1.194 177.795 176.600 0.001 0.000 1.044 431 K CA 0.950 57.238 56.287 0.001 0.000 0.973 431 K CB -0.045 32.456 32.500 0.001 0.000 0.767 431 K HN 0.332 nan 8.250 nan 0.000 0.475 432 D N 0.039 120.440 120.400 0.001 0.000 2.323 432 D HA -0.003 4.638 4.640 0.001 0.000 0.209 432 D C 1.436 177.736 176.300 0.001 0.000 0.973 432 D CA 0.662 54.663 54.000 0.001 0.000 0.874 432 D CB 0.305 41.106 40.800 0.001 0.000 0.930 432 D HN -0.072 nan 8.370 nan 0.000 0.521 433 S N 0.126 115.827 115.700 0.001 0.000 2.425 433 S HA -0.031 4.440 4.470 0.001 0.000 0.225 433 S C 1.662 176.263 174.600 0.001 0.000 1.024 433 S CA 0.477 58.677 58.200 0.001 0.000 0.951 433 S CB 0.238 63.438 63.200 0.001 0.000 0.796 433 S HN 0.195 nan 8.310 nan 0.000 0.498 434 E N 1.314 121.514 120.200 0.001 0.000 2.076 434 E HA -0.018 4.333 4.350 0.001 0.000 0.190 434 E C 2.131 178.731 176.600 0.001 0.000 0.979 434 E CA 0.950 57.351 56.400 0.001 0.000 0.807 434 E CB -0.816 28.884 29.700 0.001 0.000 0.761 434 E HN 0.366 nan 8.360 nan 0.000 0.454 435 T N 1.380 115.935 114.554 0.001 0.000 2.720 435 T HA -0.183 4.167 4.350 0.001 0.000 0.268 435 T C 1.964 176.665 174.700 0.001 0.000 1.037 435 T CA 1.526 63.627 62.100 0.001 0.000 1.144 435 T CB -0.130 68.739 68.868 0.001 0.000 0.864 435 T HN 0.116 nan 8.240 nan 0.000 0.444 436 R N 0.568 121.068 120.500 0.001 0.000 2.096 436 R HA -0.024 4.316 4.340 0.001 0.000 0.235 436 R C 2.660 178.961 176.300 0.001 0.000 1.127 436 R CA 1.154 57.255 56.100 0.001 0.000 0.968 436 R CB -0.084 30.216 30.300 0.001 0.000 0.861 436 R HN 0.242 nan 8.270 nan 0.000 0.440 437 R N 0.425 120.925 120.500 0.001 0.000 2.062 437 R HA -0.071 4.270 4.340 0.001 0.000 0.229 437 R C 2.218 178.518 176.300 0.001 0.000 1.128 437 R CA 1.226 57.326 56.100 0.001 0.000 0.960 437 R CB -0.231 30.069 30.300 0.001 0.000 0.855 437 R HN 0.255 nan 8.270 nan 0.000 0.432 438 L N 0.712 121.936 121.223 0.001 0.000 2.083 438 L HA -0.211 4.129 4.340 0.001 0.000 0.209 438 L C 2.611 179.482 176.870 0.001 0.000 1.083 438 L CA 1.537 56.378 54.840 0.001 0.000 0.752 438 L CB -0.636 41.424 42.059 0.001 0.000 0.899 438 L HN 0.352 nan 8.230 nan 0.000 0.433 439 Q N 0.258 120.058 119.800 0.001 0.000 2.045 439 Q HA -0.260 4.080 4.340 0.001 0.000 0.206 439 Q C 2.073 178.074 176.000 0.001 0.000 0.991 439 Q CA 2.007 57.811 55.803 0.001 0.000 0.851 439 Q CB -0.133 28.605 28.738 0.001 0.000 0.911 439 Q HN 0.525 nan 8.270 nan 0.000 0.418 440 E N 0.249 120.450 120.200 0.001 0.000 2.268 440 E HA -0.161 4.190 4.350 0.001 0.000 0.195 440 E C 1.709 178.310 176.600 0.002 0.000 0.995 440 E CA 0.655 57.056 56.400 0.002 0.000 0.836 440 E CB 0.093 29.794 29.700 0.001 0.000 0.763 440 E HN 0.375 nan 8.360 nan 0.000 0.491 441 E N 0.149 120.350 120.200 0.002 0.000 2.158 441 E HA -0.097 4.254 4.350 0.001 0.000 0.191 441 E C 2.096 178.697 176.600 0.002 0.000 0.982 441 E CA 0.559 56.960 56.400 0.002 0.000 0.823 441 E CB 0.276 29.977 29.700 0.002 0.000 0.766 441 E HN 0.074 nan 8.360 nan 0.000 0.468 442 V N 2.280 122.195 119.914 0.002 0.000 2.307 442 V HA -0.271 3.850 4.120 0.001 0.000 0.245 442 V C 2.481 178.576 176.094 0.002 0.000 1.045 442 V CA 2.240 64.541 62.300 0.002 0.000 1.024 442 V CB -0.629 31.195 31.823 0.002 0.000 0.651 442 V HN 0.392 nan 8.190 nan 0.000 0.449 443 E N -0.077 120.124 120.200 0.002 0.000 2.153 443 E HA -0.280 4.071 4.350 0.001 0.000 0.194 443 E C 1.576 178.177 176.600 0.002 0.000 0.988 443 E CA 1.687 58.088 56.400 0.002 0.000 0.811 443 E CB -0.326 29.375 29.700 0.002 0.000 0.746 443 E HN 0.535 nan 8.360 nan 0.000 0.466 444 D N 0.852 121.254 120.400 0.002 0.000 2.183 444 D HA -0.020 4.620 4.640 0.001 0.000 0.203 444 D C 1.943 178.244 176.300 0.003 0.000 0.969 444 D CA 1.315 55.316 54.000 0.002 0.000 0.842 444 D CB -0.038 40.764 40.800 0.002 0.000 0.957 444 D HN 0.363 nan 8.370 nan 0.000 0.484 445 A N 0.820 123.642 122.820 0.003 0.000 1.930 445 A HA -0.146 4.175 4.320 0.001 0.000 0.217 445 A C 2.190 179.776 177.584 0.003 0.000 1.175 445 A CA 1.029 53.068 52.037 0.003 0.000 0.627 445 A CB -0.323 18.679 19.000 0.003 0.000 0.815 445 A HN 0.085 nan 8.150 nan 0.000 0.443 446 R N -1.050 119.451 120.500 0.003 0.000 2.115 446 R HA -0.038 4.303 4.340 0.001 0.000 0.230 446 R C 2.454 178.756 176.300 0.004 0.000 1.111 446 R CA 1.319 57.420 56.100 0.003 0.000 0.976 446 R CB -0.223 30.079 30.300 0.003 0.000 0.870 446 R HN 0.575 nan 8.270 nan 0.000 0.445 447 R N 1.060 121.562 120.500 0.004 0.000 2.066 447 R HA -0.145 4.196 4.340 0.001 0.000 0.232 447 R C 2.071 178.374 176.300 0.004 0.000 1.131 447 R CA 1.663 57.765 56.100 0.004 0.000 0.955 447 R CB -0.031 30.272 30.300 0.004 0.000 0.851 447 R HN 0.010 nan 8.270 nan 0.000 0.432 448 K N 0.392 120.794 120.400 0.004 0.000 2.097 448 K HA -0.248 4.073 4.320 0.001 0.000 0.206 448 K C 2.185 178.787 176.600 0.004 0.000 1.049 448 K CA 1.879 58.168 56.287 0.004 0.000 0.933 448 K CB -0.042 32.461 32.500 0.003 0.000 0.717 448 K HN 0.262 nan 8.250 nan 0.000 0.442 449 Q N 0.422 120.225 119.800 0.004 0.000 2.079 449 Q HA -0.186 4.155 4.340 0.001 0.000 0.200 449 Q C 1.154 177.157 176.000 0.006 0.000 0.974 449 Q CA 2.066 57.872 55.803 0.005 0.000 0.840 449 Q CB 0.048 28.789 28.738 0.005 0.000 0.898 449 Q HN 0.277 nan 8.270 nan 0.000 0.430 450 D N 0.360 120.763 120.400 0.006 0.000 2.144 450 D HA -0.134 4.506 4.640 0.001 0.000 0.200 450 D C 1.587 177.892 176.300 0.007 0.000 0.978 450 D CA 1.264 55.268 54.000 0.007 0.000 0.833 450 D CB -0.022 40.781 40.800 0.006 0.000 0.961 450 D HN 0.432 nan 8.370 nan 0.000 0.470 451 E N 0.469 120.672 120.200 0.006 0.000 2.072 451 E HA -0.068 4.282 4.350 0.001 0.000 0.191 451 E C 2.100 178.704 176.600 0.006 0.000 0.985 451 E CA 0.899 57.303 56.400 0.006 0.000 0.801 451 E CB -0.030 29.674 29.700 0.005 0.000 0.750 451 E HN 0.187 nan 8.360 nan 0.000 0.452 452 A N 1.662 124.485 122.820 0.006 0.000 1.877 452 A HA -0.167 4.154 4.320 0.001 0.000 0.216 452 A C 2.426 180.014 177.584 0.007 0.000 1.186 452 A CA 1.842 53.883 52.037 0.006 0.000 0.620 452 A CB -0.828 18.175 19.000 0.005 0.000 0.822 452 A HN 0.298 nan 8.150 nan 0.000 0.443 453 A N -0.139 122.686 122.820 0.008 0.000 1.883 453 A HA 0.100 4.421 4.320 0.001 0.000 0.217 453 A C 2.547 180.138 177.584 0.012 0.000 1.186 453 A CA 2.425 54.468 52.037 0.010 0.000 0.624 453 A CB -1.172 17.834 19.000 0.010 0.000 0.822 453 A HN 1.156 nan 8.150 nan 0.000 0.444 454 A N -0.115 122.712 122.820 0.012 0.000 1.883 454 A HA 0.071 4.392 4.320 0.001 0.000 0.217 454 A C 2.553 180.144 177.584 0.013 0.000 1.186 454 A CA 2.523 54.568 52.037 0.014 0.000 0.624 454 A CB -1.185 17.822 19.000 0.012 0.000 0.822 454 A HN 1.172 nan 8.150 nan 0.000 0.444 455 A N -0.333 122.492 122.820 0.010 0.000 1.883 455 A HA -0.100 4.220 4.320 0.001 0.000 0.217 455 A C 2.205 179.792 177.584 0.006 0.000 1.186 455 A CA 1.621 53.662 52.037 0.007 0.000 0.624 455 A CB -0.689 18.313 19.000 0.004 0.000 0.822 455 A HN 0.492 nan 8.150 nan 0.000 0.444 456 L N -0.926 120.302 121.223 0.008 0.000 2.042 456 L HA -0.186 4.154 4.340 0.001 0.000 0.210 456 L C 2.524 179.402 176.870 0.014 0.000 1.076 456 L CA 1.181 56.026 54.840 0.008 0.000 0.749 456 L CB -0.477 41.589 42.059 0.010 0.000 0.893 456 L HN 0.378 nan 8.230 nan 0.000 0.432 457 L N -0.707 120.527 121.223 0.019 0.000 2.217 457 L HA -0.075 4.265 4.340 0.001 0.000 0.211 457 L C 2.725 179.612 176.870 0.028 0.000 1.107 457 L CA 0.633 55.489 54.840 0.027 0.000 0.783 457 L CB -0.558 41.518 42.059 0.028 0.000 0.919 457 L HN 0.194 nan 8.230 nan 0.000 0.442 458 A N 0.111 122.944 122.820 0.022 0.000 2.131 458 A HA -0.093 4.227 4.320 0.001 0.000 0.220 458 A C 2.227 179.820 177.584 0.016 0.000 1.158 458 A CA 1.573 53.622 52.037 0.021 0.000 0.665 458 A CB -0.442 18.567 19.000 0.014 0.000 0.795 458 A HN 0.387 nan 8.150 nan 0.000 0.460 459 A N -0.565 122.261 122.820 0.010 0.000 2.308 459 A HA 0.382 4.702 4.320 0.001 0.000 0.217 459 A C 1.196 178.790 177.584 0.017 0.000 1.216 459 A CA 0.896 52.933 52.037 -0.000 0.000 0.864 459 A CB -0.550 18.440 19.000 -0.016 0.000 0.902 459 A HN 0.587 nan 8.150 nan 0.000 0.499 460 T N -1.677 112.900 114.554 0.039 0.000 2.945 460 T HA 0.557 4.907 4.350 0.001 0.000 0.286 460 T C -0.016 174.740 174.700 0.093 0.000 1.025 460 T CA 0.066 62.206 62.100 0.066 0.000 1.039 460 T CB 1.364 70.269 68.868 0.063 0.000 1.068 460 T HN 0.287 nan 8.240 nan 0.000 0.497 461 T N 0.095 114.740 114.554 0.151 0.000 2.867 461 T HA 0.563 4.914 4.350 0.001 0.000 0.282 461 T C -2.885 171.898 174.700 0.138 0.000 1.000 461 T CA -2.100 60.111 62.100 0.184 0.000 1.042 461 T CB 0.532 69.590 68.868 0.318 0.000 0.973 461 T HN 0.429 nan 8.240 nan 0.000 0.465 462 P HA 0.086 nan 4.420 nan 0.000 0.261 462 P C 0.739 177.998 177.300 -0.068 0.000 1.183 462 P CA 0.031 63.037 63.100 -0.156 0.000 0.761 462 P CB 0.387 31.734 31.700 -0.589 0.000 0.785 463 Q N 2.189 122.055 119.800 0.110 0.000 2.181 463 Q HA -0.239 4.102 4.340 0.001 0.000 0.205 463 Q C 1.859 177.986 176.000 0.212 0.000 0.980 463 Q CA 1.409 57.356 55.803 0.240 0.000 0.862 463 Q CB -0.437 28.423 28.738 0.203 0.000 0.905 463 Q HN 0.702 nan 8.270 nan 0.000 0.429 464 H N -1.251 117.853 119.070 0.056 0.000 2.546 464 H HA -0.035 4.521 4.556 0.001 0.000 0.277 464 H C 0.935 176.348 175.328 0.141 0.000 1.004 464 H CA 1.020 57.102 56.048 0.057 0.000 1.231 464 H CB -0.242 29.520 29.762 0.000 0.000 1.382 464 H HN 0.510 nan 8.280 nan 0.000 0.580 465 H N 0.128 118.993 119.070 -0.340 0.000 2.428 465 H HA 0.020 4.576 4.556 0.001 0.000 0.296 465 H C 0.391 175.712 175.328 -0.012 0.000 1.062 465 H CA 0.101 56.054 56.048 -0.159 0.000 1.350 465 H CB 0.237 29.947 29.762 -0.087 0.000 1.403 465 H HN 0.408 nan 8.280 nan 0.000 0.533 466 H N 0.692 119.859 119.070 0.162 0.000 2.690 466 H HA 0.044 4.601 4.556 0.001 0.000 0.365 466 H C 0.069 175.422 175.328 0.042 0.000 1.142 466 H CA -0.264 55.838 56.048 0.089 0.000 1.417 466 H CB 1.361 31.126 29.762 0.005 0.000 1.446 466 H HN -0.020 nan 8.280 nan 0.000 0.599 467 V N 2.005 121.980 119.914 0.102 0.000 2.572 467 V HA 0.072 4.193 4.120 0.001 0.000 0.291 467 V C 0.667 176.783 176.094 0.038 0.000 1.039 467 V CA -0.415 61.871 62.300 -0.023 0.000 1.055 467 V CB 0.823 32.529 31.823 -0.196 0.000 0.969 467 V HN 0.893 nan 8.190 nan 0.000 0.482 468 A N 5.675 128.506 122.820 0.018 0.000 2.546 468 A HA 0.287 4.607 4.320 0.001 0.000 0.243 468 A C 0.424 178.038 177.584 0.049 0.000 1.063 468 A CA -0.057 52.005 52.037 0.043 0.000 0.757 468 A CB -0.134 18.875 19.000 0.016 0.000 0.991 468 A HN 0.950 nan 8.150 nan 0.000 0.503 469 E N 2.308 122.558 120.200 0.083 0.000 2.207 469 E HA 0.547 4.897 4.350 0.001 0.000 0.270 469 E C -0.537 176.117 176.600 0.090 0.000 0.927 469 E CA -1.183 55.274 56.400 0.094 0.000 0.799 469 E CB 1.020 30.788 29.700 0.112 0.000 1.172 469 E HN 0.712 nan 8.360 nan 0.000 0.404 470 R N 1.193 121.752 120.500 0.098 0.000 2.537 470 R HA 0.453 4.793 4.340 0.001 0.000 0.280 470 R C -0.175 176.182 176.300 0.095 0.000 1.058 470 R CA -0.291 55.866 56.100 0.095 0.000 1.057 470 R CB 0.378 30.752 30.300 0.123 0.000 0.973 470 R HN 0.557 nan 8.270 nan 0.000 0.438 471 A N 2.548 125.410 122.820 0.070 0.000 2.257 471 A HA 0.461 4.782 4.320 0.001 0.000 0.289 471 A C -0.431 177.193 177.584 0.067 0.000 1.095 471 A CA -0.351 51.723 52.037 0.063 0.000 0.836 471 A CB 0.470 19.491 19.000 0.034 0.000 1.111 471 A HN 0.985 nan 8.150 nan 0.000 0.497 487 S N 0.071 115.604 115.700 -0.279 0.000 2.563 487 S HA 0.748 5.218 4.470 0.001 0.000 0.279 487 S C -0.273 173.904 174.600 -0.705 0.000 1.155 487 S CA -0.235 57.525 58.200 -0.732 0.000 0.928 487 S CB 2.204 65.138 63.200 -0.445 0.000 1.107 487 S HN 0.246 nan 8.310 nan 0.000 0.462 488 G N 0.031 108.154 108.800 -1.127 0.000 2.727 488 G HA2 1.020 4.981 3.960 0.001 0.000 0.289 488 G HA3 1.020 4.981 3.960 0.001 0.000 0.289 488 G C 0.013 174.688 174.900 -0.374 0.000 1.418 488 G CA -0.367 44.446 45.100 -0.478 0.000 0.818 488 G HN 2.113 nan 8.290 nan 0.000 0.486 489 G N -2.407 106.305 108.800 -0.147 0.000 2.408 489 G HA2 0.635 4.596 3.960 0.001 0.000 0.682 489 G HA3 0.635 4.596 3.960 0.001 0.000 0.682 489 G C 0.003 174.837 174.900 -0.111 0.000 1.303 489 G CA 0.539 45.579 45.100 -0.100 0.000 0.966 489 G HN 2.491 nan 8.290 nan 0.000 0.560 490 G N -1.214 107.529 108.800 -0.096 0.000 2.364 490 G HA2 0.565 4.526 3.960 0.001 0.000 0.286 490 G HA3 0.565 4.526 3.960 0.001 0.000 0.286 490 G C -1.712 173.140 174.900 -0.080 0.000 1.241 490 G CA 0.141 45.188 45.100 -0.088 0.000 0.887 490 G HN 0.893 nan 8.290 nan 0.000 0.484 491 D N 0.799 121.158 120.400 -0.068 0.000 2.345 491 D HA 0.392 5.032 4.640 0.001 0.000 0.247 491 D C 0.121 176.374 176.300 -0.077 0.000 1.108 491 D CA 0.296 54.256 54.000 -0.067 0.000 0.894 491 D CB 1.742 42.513 40.800 -0.048 0.000 1.203 491 D HN 0.246 nan 8.370 nan 0.000 0.430 492 L N 1.424 122.576 121.223 -0.119 0.000 2.275 492 L HA 0.371 4.712 4.340 0.001 0.000 0.288 492 L C 0.724 177.563 176.870 -0.052 0.000 1.046 492 L CA -1.003 53.726 54.840 -0.185 0.000 0.805 492 L CB 1.269 42.987 42.059 -0.569 0.000 1.193 492 L HN 0.352 nan 8.230 nan 0.000 0.426 493 A N 4.950 127.795 122.820 0.041 0.000 2.561 493 A HA 0.102 4.423 4.320 0.001 0.000 0.251 493 A C 0.534 178.223 177.584 0.176 0.000 1.062 493 A CA 0.112 52.201 52.037 0.087 0.000 0.761 493 A CB -0.136 18.907 19.000 0.071 0.000 0.986 493 A HN 0.784 nan 8.150 nan 0.000 0.510 494 R N 1.423 121.990 120.500 0.113 0.000 2.726 494 R HA 0.385 4.725 4.340 0.001 0.000 0.272 494 R C 0.952 177.318 176.300 0.109 0.000 1.097 494 R CA 0.562 56.739 56.100 0.128 0.000 1.198 494 R CB 0.558 30.905 30.300 0.079 0.000 1.114 494 R HN 0.813 nan 8.270 nan 0.000 0.550 495 G N 0.804 109.669 108.800 0.107 0.000 2.753 495 G HA2 0.455 4.415 3.960 0.001 0.000 0.285 495 G HA3 0.455 4.415 3.960 0.001 0.000 0.285 495 G C -2.372 172.557 174.900 0.049 0.000 1.344 495 G CA -1.172 43.971 45.100 0.073 0.000 1.050 495 G HN 0.323 nan 8.290 nan 0.000 0.532 496 P HA 0.096 nan 4.420 nan 0.000 0.267 496 P C 0.020 177.337 177.300 0.028 0.000 1.195 496 P CA -0.088 63.022 63.100 0.017 0.000 0.773 496 P CB 0.686 32.387 31.700 0.001 0.000 0.837 497 D N 0.488 120.900 120.400 0.020 0.000 2.269 497 D HA -0.109 4.531 4.640 0.001 0.000 0.208 497 D C 0.794 177.107 176.300 0.021 0.000 0.963 497 D CA 1.107 55.120 54.000 0.022 0.000 0.864 497 D CB -0.141 40.668 40.800 0.015 0.000 0.936 497 D HN 0.579 nan 8.370 nan 0.000 0.505 498 D N 0.484 120.893 120.400 0.015 0.000 2.388 498 D HA -0.022 4.619 4.640 0.001 0.000 0.221 498 D C 0.845 177.153 176.300 0.014 0.000 1.133 498 D CA -0.374 53.632 54.000 0.011 0.000 0.831 498 D CB -0.066 40.735 40.800 0.002 0.000 0.962 498 D HN 0.149 nan 8.370 nan 0.000 0.502 499 L N 1.330 122.570 121.223 0.028 0.000 2.513 499 L HA 0.064 4.404 4.340 0.001 0.000 0.272 499 L C -0.852 176.044 176.870 0.042 0.000 1.187 499 L CA 0.028 54.890 54.840 0.037 0.000 0.895 499 L CB 0.745 42.850 42.059 0.076 0.000 1.147 499 L HN -0.179 nan 8.230 nan 0.000 0.483 500 V N 4.886 124.814 119.914 0.025 0.000 2.350 500 V HA 0.165 4.285 4.120 0.001 0.000 0.285 500 V C -0.268 175.847 176.094 0.036 0.000 1.014 500 V CA -0.756 61.561 62.300 0.028 0.000 0.831 500 V CB 1.517 33.344 31.823 0.007 0.000 1.000 500 V HN 0.783 nan 8.190 nan 0.000 0.433 501 D N 7.260 127.712 120.400 0.086 0.000 2.450 501 D HA 0.139 4.779 4.640 0.001 0.000 0.247 501 D C -0.962 175.377 176.300 0.064 0.000 1.162 501 D CA -0.872 53.206 54.000 0.130 0.000 0.879 501 D CB 1.417 42.324 40.800 0.178 0.000 1.163 501 D HN 0.331 nan 8.370 nan 0.000 0.472 502 P HA -0.080 nan 4.420 nan 0.000 0.233 502 P C 1.169 178.470 177.300 0.001 0.000 1.167 502 P CA 0.245 63.344 63.100 -0.002 0.000 0.770 502 P CB 0.274 31.956 31.700 -0.030 0.000 0.837 503 V N 0.677 120.621 119.914 0.051 0.000 2.759 503 V HA -0.177 3.943 4.120 0.001 0.000 0.256 503 V C 2.735 178.847 176.094 0.030 0.000 1.080 503 V CA 1.679 64.014 62.300 0.059 0.000 1.101 503 V CB -1.514 30.380 31.823 0.118 0.000 0.698 503 V HN 0.120 nan 8.190 nan 0.000 0.477 504 A N 0.024 122.857 122.820 0.021 0.000 1.902 504 A HA -0.220 4.100 4.320 0.001 0.000 0.217 504 A C 1.897 179.476 177.584 -0.009 0.000 1.181 504 A CA 2.059 54.102 52.037 0.009 0.000 0.623 504 A CB -0.352 18.654 19.000 0.010 0.000 0.818 504 A HN 0.535 nan 8.150 nan 0.000 0.443 505 D N -1.659 118.724 120.400 -0.028 0.000 2.379 505 D HA 0.101 4.741 4.640 0.001 0.000 0.208 505 D C 0.838 177.089 176.300 -0.083 0.000 1.065 505 D CA 0.059 54.032 54.000 -0.045 0.000 0.848 505 D CB 0.037 40.811 40.800 -0.044 0.000 0.949 505 D HN 0.373 nan 8.370 nan 0.000 0.509 506 R N 1.322 121.745 120.500 -0.129 0.000 2.390 506 R HA 0.243 4.583 4.340 0.001 0.000 0.291 506 R C -0.329 175.796 176.300 -0.292 0.000 1.070 506 R CA -0.220 55.711 56.100 -0.281 0.000 1.014 506 R CB 0.609 30.624 30.300 -0.474 0.000 1.007 506 R HN -0.259 nan 8.270 nan 0.000 0.466 507 R N 1.849 122.180 120.500 -0.281 0.000 2.744 507 R HA 0.228 4.569 4.340 0.001 0.000 0.279 507 R C -0.675 175.580 176.300 -0.075 0.000 0.977 507 R CA -0.790 55.243 56.100 -0.111 0.000 0.906 507 R CB 1.806 32.079 30.300 -0.046 0.000 1.197 507 R HN 0.859 nan 8.270 nan 0.000 0.463 508 T N -0.756 113.884 114.554 0.143 0.000 2.930 508 T HA 0.032 4.382 4.350 0.001 0.000 0.306 508 T C 1.493 176.245 174.700 0.086 0.000 1.045 508 T CA -0.599 61.626 62.100 0.207 0.000 1.134 508 T CB 0.667 69.672 68.868 0.228 0.000 0.961 508 T HN 0.467 nan 8.240 nan 0.000 0.545 509 L N 2.827 124.087 121.223 0.063 0.000 2.137 509 L HA -0.055 4.285 4.340 0.001 0.000 0.213 509 L C 2.606 179.507 176.870 0.052 0.000 1.085 509 L CA 2.359 57.216 54.840 0.029 0.000 0.760 509 L CB -1.293 40.767 42.059 0.002 0.000 0.893 509 L HN 0.962 nan 8.230 nan 0.000 0.434 510 A N -0.217 122.650 122.820 0.079 0.000 1.898 510 A HA -0.216 4.104 4.320 0.001 0.000 0.216 510 A C 2.174 179.837 177.584 0.133 0.000 1.181 510 A CA 1.517 53.628 52.037 0.123 0.000 0.620 510 A CB -0.653 18.430 19.000 0.137 0.000 0.819 510 A HN 0.726 nan 8.150 nan 0.000 0.442 511 E N -0.598 119.657 120.200 0.091 0.000 2.285 511 E HA -0.097 4.254 4.350 0.001 0.000 0.194 511 E C 1.970 178.570 176.600 0.000 0.000 0.997 511 E CA 0.593 57.015 56.400 0.035 0.000 0.845 511 E CB -0.189 29.535 29.700 0.040 0.000 0.782 511 E HN 0.579 nan 8.360 nan 0.000 0.491 512 R N 0.504 121.013 120.500 0.015 0.000 2.066 512 R HA 0.057 4.398 4.340 0.001 0.000 0.224 512 R C 0.576 176.881 176.300 0.009 0.000 1.122 512 R CA 0.779 56.879 56.100 0.001 0.000 0.974 512 R CB -0.123 30.175 30.300 -0.004 0.000 0.871 512 R HN 0.043 nan 8.270 nan 0.000 0.435 513 N N 1.439 120.158 118.700 0.031 0.000 2.426 513 N HA -0.037 4.704 4.740 0.001 0.000 0.257 513 N C 0.348 175.901 175.510 0.073 0.000 1.002 513 N CA 0.088 53.166 53.050 0.047 0.000 0.942 513 N CB 1.330 39.850 38.487 0.054 0.000 1.112 513 N HN 0.081 nan 8.380 nan 0.000 0.499 514 E N 3.468 123.703 120.200 0.058 0.000 2.077 514 E HA -0.246 4.105 4.350 0.001 0.000 0.193 514 E C 1.548 178.226 176.600 0.130 0.000 0.989 514 E CA 0.830 57.274 56.400 0.074 0.000 0.800 514 E CB 0.136 29.863 29.700 0.046 0.000 0.746 514 E HN 0.619 nan 8.360 nan 0.000 0.452 515 R N 0.373 120.943 120.500 0.117 0.000 2.080 515 R HA -0.205 4.136 4.340 0.001 0.000 0.236 515 R C 2.574 178.969 176.300 0.157 0.000 1.137 515 R CA 1.635 57.819 56.100 0.141 0.000 0.943 515 R CB -0.467 29.917 30.300 0.139 0.000 0.846 515 R HN 0.264 nan 8.270 nan 0.000 0.431 516 L N 0.522 121.830 121.223 0.142 0.000 1.970 516 L HA -0.214 4.126 4.340 0.001 0.000 0.212 516 L C 2.253 179.191 176.870 0.114 0.000 1.071 516 L CA 2.555 57.467 54.840 0.120 0.000 0.751 516 L CB -1.153 40.962 42.059 0.093 0.000 0.889 516 L HN 0.332 nan 8.230 nan 0.000 0.432 517 H N -0.254 118.844 119.070 0.047 0.000 2.325 517 H HA -0.220 4.337 4.556 0.001 0.000 0.293 517 H C 2.042 177.401 175.328 0.052 0.000 1.106 517 H CA 2.468 58.542 56.048 0.043 0.000 1.247 517 H CB -0.054 29.733 29.762 0.041 0.000 1.359 517 H HN 0.437 nan 8.280 nan 0.000 0.488 518 N N 0.104 118.905 118.700 0.168 0.000 2.244 518 N HA -0.122 4.618 4.740 0.001 0.000 0.183 518 N C 1.871 177.445 175.510 0.106 0.000 1.016 518 N CA 1.327 54.455 53.050 0.131 0.000 0.866 518 N CB -0.188 38.398 38.487 0.165 0.000 0.980 518 N HN 0.634 nan 8.380 nan 0.000 0.430 519 Q N 0.262 120.121 119.800 0.100 0.000 2.083 519 Q HA 0.070 4.411 4.340 0.001 0.000 0.198 519 Q C 2.187 178.113 176.000 -0.124 0.000 0.969 519 Q CA 0.671 56.504 55.803 0.050 0.000 0.838 519 Q CB -0.062 28.651 28.738 -0.042 0.000 0.900 519 Q HN 0.313 nan 8.270 nan 0.000 0.436 520 L N 0.899 122.047 121.223 -0.125 0.000 2.042 520 L HA -0.219 4.121 4.340 0.001 0.000 0.210 520 L C 2.564 179.378 176.870 -0.093 0.000 1.076 520 L CA 1.256 56.015 54.840 -0.135 0.000 0.749 520 L CB -0.419 41.567 42.059 -0.121 0.000 0.893 520 L HN 0.178 nan 8.230 nan 0.000 0.432 521 K N 0.263 120.601 120.400 -0.103 0.000 2.026 521 K HA -0.205 4.115 4.320 0.001 0.000 0.208 521 K C 2.172 178.786 176.600 0.023 0.000 1.048 521 K CA 1.365 57.612 56.287 -0.066 0.000 0.929 521 K CB -0.102 32.350 32.500 -0.080 0.000 0.713 521 K HN 0.271 nan 8.250 nan 0.000 0.439 522 A N 1.446 124.316 122.820 0.084 0.000 1.851 522 A HA -0.179 4.142 4.320 0.001 0.000 0.216 522 A C 2.158 179.838 177.584 0.159 0.000 1.195 522 A CA 1.591 53.728 52.037 0.167 0.000 0.622 522 A CB -0.850 18.354 19.000 0.339 0.000 0.831 522 A HN 0.331 nan 8.150 nan 0.000 0.444 523 L N -0.668 120.626 121.223 0.117 0.000 2.079 523 L HA -0.245 4.095 4.340 0.001 0.000 0.210 523 L C 2.630 179.540 176.870 0.067 0.000 1.081 523 L CA 1.838 56.722 54.840 0.073 0.000 0.752 523 L CB -0.405 41.588 42.059 -0.109 0.000 0.896 523 L HN 0.383 nan 8.230 nan 0.000 0.433 524 K N -0.416 120.010 120.400 0.043 0.000 2.063 524 K HA -0.233 4.088 4.320 0.001 0.000 0.208 524 K C 2.163 178.806 176.600 0.071 0.000 1.048 524 K CA 1.525 57.847 56.287 0.058 0.000 0.928 524 K CB -0.140 32.381 32.500 0.035 0.000 0.713 524 K HN 0.434 nan 8.250 nan 0.000 0.442 525 Q N 0.437 120.277 119.800 0.067 0.000 2.119 525 Q HA -0.156 4.185 4.340 0.001 0.000 0.201 525 Q C 1.492 177.532 176.000 0.068 0.000 0.972 525 Q CA 1.433 57.273 55.803 0.063 0.000 0.847 525 Q CB 0.055 28.829 28.738 0.059 0.000 0.903 525 Q HN 0.305 nan 8.270 nan 0.000 0.433 526 D N 0.634 121.085 120.400 0.086 0.000 2.103 526 D HA -0.092 4.549 4.640 0.001 0.000 0.199 526 D C 1.887 178.229 176.300 0.069 0.000 0.978 526 D CA 0.867 54.912 54.000 0.075 0.000 0.829 526 D CB -0.232 40.632 40.800 0.106 0.000 0.981 526 D HN 0.163 nan 8.370 nan 0.000 0.464 527 L N 0.704 121.990 121.223 0.104 0.000 2.191 527 L HA -0.082 4.258 4.340 0.001 0.000 0.212 527 L C 2.395 179.392 176.870 0.212 0.000 1.103 527 L CA 0.822 55.765 54.840 0.172 0.000 0.769 527 L CB -0.401 41.791 42.059 0.223 0.000 0.908 527 L HN -0.012 nan 8.230 nan 0.000 0.438 528 A N 1.245 124.142 122.820 0.129 0.000 1.933 528 A HA -0.198 4.122 4.320 0.001 0.000 0.218 528 A C 2.263 179.877 177.584 0.050 0.000 1.175 528 A CA 1.481 53.567 52.037 0.082 0.000 0.628 528 A CB -0.505 18.531 19.000 0.061 0.000 0.814 528 A HN 0.563 nan 8.150 nan 0.000 0.444 529 R N 0.202 120.729 120.500 0.045 0.000 2.339 529 R HA 0.036 4.376 4.340 0.001 0.000 0.199 529 R C 0.912 177.219 176.300 0.012 0.000 1.018 529 R CA 1.369 57.481 56.100 0.021 0.000 1.036 529 R CB -0.390 29.917 30.300 0.012 0.000 0.899 529 R HN 0.485 nan 8.270 nan 0.000 0.473 530 S N -1.148 114.571 115.700 0.033 0.000 2.937 530 S HA 0.121 4.592 4.470 0.001 0.000 0.252 530 S C 0.088 174.689 174.600 0.002 0.000 1.022 530 S CA -0.719 57.495 58.200 0.023 0.000 1.079 530 S CB -0.080 63.125 63.200 0.008 0.000 1.035 530 S HN 0.360 nan 8.310 nan 0.000 0.594 531 C N 3.220 122.485 119.300 -0.057 0.000 2.482 531 C HA 0.502 4.962 4.460 0.001 0.000 0.378 531 C C 0.212 175.114 174.990 -0.146 0.000 1.284 531 C CA -0.370 58.505 59.018 -0.239 0.000 1.826 531 C CB -0.554 27.079 27.740 -0.178 0.000 2.473 531 C HN 0.570 nan 8.230 nan 0.000 0.562 532 D N 4.074 124.379 120.400 -0.158 0.000 2.453 532 D HA 0.164 4.804 4.640 0.001 0.000 0.223 532 D C 1.044 177.306 176.300 -0.063 0.000 1.183 532 D CA 0.057 54.012 54.000 -0.075 0.000 0.933 532 D CB 0.596 41.371 40.800 -0.042 0.000 1.038 532 D HN 0.708 nan 8.370 nan 0.000 0.513 533 E N 0.582 120.755 120.200 -0.045 0.000 2.273 533 E HA -0.193 4.157 4.350 0.001 0.000 0.198 533 E C 1.922 178.513 176.600 -0.015 0.000 1.002 533 E CA 1.611 57.994 56.400 -0.027 0.000 0.828 533 E CB -0.040 29.650 29.700 -0.016 0.000 0.747 533 E HN 0.622 nan 8.360 nan 0.000 0.491 534 T N -1.341 113.205 114.554 -0.013 0.000 3.035 534 T HA -0.041 4.309 4.350 0.001 0.000 0.268 534 T C 1.300 175.999 174.700 -0.001 0.000 1.109 534 T CA 0.557 62.654 62.100 -0.005 0.000 1.119 534 T CB 0.106 68.972 68.868 -0.002 0.000 0.900 534 T HN -0.078 nan 8.240 nan 0.000 0.503 535 K N 1.242 121.639 120.400 -0.005 0.000 2.437 535 K HA 0.285 4.605 4.320 0.001 0.000 0.205 535 K C 0.186 176.793 176.600 0.012 0.000 1.026 535 K CA -0.114 56.176 56.287 0.005 0.000 1.153 535 K CB 0.419 32.922 32.500 0.007 0.000 0.863 535 K HN 0.580 nan 8.250 nan 0.000 0.502 536 E N 2.638 122.844 120.200 0.010 0.000 2.265 536 E HA -0.008 4.342 4.350 0.001 0.000 0.272 536 E C -0.014 176.605 176.600 0.031 0.000 1.067 536 E CA -0.113 56.302 56.400 0.026 0.000 0.900 536 E CB 0.585 30.297 29.700 0.020 0.000 1.017 536 E HN 0.184 nan 8.360 nan 0.000 0.431 537 T N 1.274 115.858 114.554 0.050 0.000 2.788 537 T HA 0.315 4.665 4.350 0.001 0.000 0.287 537 T C 1.295 176.003 174.700 0.014 0.000 1.007 537 T CA -0.155 61.968 62.100 0.038 0.000 1.005 537 T CB 1.478 70.383 68.868 0.062 0.000 1.012 537 T HN 0.453 nan 8.240 nan 0.000 0.530 538 A N 0.970 123.786 122.820 -0.007 0.000 1.908 538 A HA -0.031 4.290 4.320 0.001 0.000 0.218 538 A C 2.542 180.081 177.584 -0.076 0.000 1.181 538 A CA 1.739 53.758 52.037 -0.030 0.000 0.627 538 A CB -0.968 18.015 19.000 -0.029 0.000 0.818 538 A HN 0.897 nan 8.150 nan 0.000 0.445 539 M N -0.588 118.938 119.600 -0.122 0.000 2.229 539 M HA -0.123 4.357 4.480 0.001 0.000 0.264 539 M C 1.325 177.378 176.300 -0.412 0.000 1.063 539 M CA 1.243 56.347 55.300 -0.327 0.000 1.114 539 M CB -0.586 31.749 32.600 -0.441 0.000 1.387 539 M HN 0.335 nan 8.290 nan 0.000 0.420 540 D N 0.938 121.270 120.400 -0.114 0.000 2.123 540 D HA -0.149 4.492 4.640 0.001 0.000 0.196 540 D C 1.879 178.195 176.300 0.027 0.000 0.992 540 D CA 1.389 55.424 54.000 0.057 0.000 0.833 540 D CB -0.167 40.717 40.800 0.140 0.000 0.954 540 D HN 0.373 nan 8.370 nan 0.000 0.455 541 K N 0.148 120.541 120.400 -0.012 0.000 2.062 541 K HA 0.016 4.337 4.320 0.001 0.000 0.205 541 K C 2.358 178.941 176.600 -0.028 0.000 1.051 541 K CA 0.444 56.726 56.287 -0.008 0.000 0.941 541 K CB 0.041 32.534 32.500 -0.011 0.000 0.719 541 K HN 0.123 nan 8.250 nan 0.000 0.440 542 I N 0.286 120.819 120.570 -0.061 0.000 2.226 542 I HA -0.307 3.863 4.170 0.001 0.000 0.245 542 I C 2.496 178.579 176.117 -0.057 0.000 1.100 542 I CA 1.455 62.716 61.300 -0.065 0.000 1.374 542 I CB -0.385 37.559 38.000 -0.093 0.000 1.057 542 I HN 0.269 nan 8.210 nan 0.000 0.413 543 H N 1.463 120.425 119.070 -0.180 0.000 2.293 543 H HA -0.112 4.445 4.556 0.001 0.000 0.300 543 H C 2.408 177.714 175.328 -0.037 0.000 1.082 543 H CA 1.838 57.811 56.048 -0.125 0.000 1.308 543 H CB 0.015 29.689 29.762 -0.146 0.000 1.375 543 H HN 0.083 nan 8.280 nan 0.000 0.495 544 R N -0.172 120.299 120.500 -0.047 0.000 2.096 544 R HA -0.134 4.206 4.340 0.001 0.000 0.235 544 R C 2.278 178.518 176.300 -0.100 0.000 1.127 544 R CA 1.356 57.409 56.100 -0.078 0.000 0.968 544 R CB -0.140 30.172 30.300 0.019 0.000 0.861 544 R HN 0.342 nan 8.270 nan 0.000 0.440 545 E N 1.158 121.315 120.200 -0.072 0.000 2.038 545 E HA -0.189 4.161 4.350 0.001 0.000 0.195 545 E C 1.524 178.074 176.600 -0.083 0.000 1.000 545 E CA 1.606 57.970 56.400 -0.060 0.000 0.803 545 E CB -0.199 29.476 29.700 -0.041 0.000 0.750 545 E HN 0.208 nan 8.360 nan 0.000 0.448 546 N N -0.280 118.350 118.700 -0.116 0.000 2.069 546 N HA -0.137 4.604 4.740 0.001 0.000 0.191 546 N C 1.921 177.347 175.510 -0.140 0.000 1.031 546 N CA 1.583 54.562 53.050 -0.118 0.000 0.852 546 N CB -0.585 37.829 38.487 -0.122 0.000 1.018 546 N HN 0.095 nan 8.380 nan 0.000 0.423 547 V N 1.467 121.243 119.914 -0.230 0.000 2.295 547 V HA -0.179 3.942 4.120 0.001 0.000 0.246 547 V C 2.530 178.572 176.094 -0.086 0.000 1.049 547 V CA 1.447 63.638 62.300 -0.181 0.000 1.024 547 V CB -0.517 31.160 31.823 -0.243 0.000 0.648 547 V HN 0.303 nan 8.190 nan 0.000 0.447 548 R N 0.062 120.516 120.500 -0.077 0.000 2.103 548 R HA -0.228 4.112 4.340 0.001 0.000 0.242 548 R C 2.100 178.383 176.300 -0.029 0.000 1.142 548 R CA 1.954 58.030 56.100 -0.040 0.000 0.960 548 R CB -0.163 30.116 30.300 -0.034 0.000 0.858 548 R HN 0.601 nan 8.270 nan 0.000 0.439 549 Q N -1.152 118.625 119.800 -0.038 0.000 2.365 549 Q HA 0.103 4.444 4.340 0.001 0.000 0.203 549 Q C 0.541 176.528 176.000 -0.021 0.000 0.929 549 Q CA 0.414 56.202 55.803 -0.026 0.000 0.948 549 Q CB 0.858 29.579 28.738 -0.029 0.000 1.043 549 Q HN 0.646 nan 8.270 nan 0.000 0.505 550 G N 1.920 110.708 108.800 -0.021 0.000 2.176 550 G HA2 -0.314 3.647 3.960 0.001 0.000 0.252 550 G HA3 -0.314 3.647 3.960 0.001 0.000 0.252 550 G C -0.116 174.778 174.900 -0.009 0.000 1.024 550 G CA 0.050 45.145 45.100 -0.008 0.000 0.755 550 G HN 0.239 nan 8.290 nan 0.000 0.507 551 R N 0.305 120.790 120.500 -0.026 0.000 2.528 551 R HA 0.603 4.944 4.340 0.001 0.000 0.271 551 R C -0.019 176.269 176.300 -0.020 0.000 1.056 551 R CA 0.200 56.285 56.100 -0.024 0.000 1.117 551 R CB 0.730 31.008 30.300 -0.037 0.000 1.085 551 R HN 0.544 nan 8.270 nan 0.000 0.530 552 D N -1.410 118.983 120.400 -0.013 0.000 2.639 552 D HA 0.073 4.713 4.640 0.001 0.000 0.271 552 D C 0.119 176.372 176.300 -0.079 0.000 1.254 552 D CA -0.966 53.023 54.000 -0.018 0.000 0.810 552 D CB 0.949 41.769 40.800 0.033 0.000 1.351 552 D HN 0.311 nan 8.370 nan 0.000 0.427 553 K N -0.594 119.687 120.400 -0.199 0.000 2.089 553 K HA -0.249 4.071 4.320 0.001 0.000 0.210 553 K C 0.921 177.281 176.600 -0.401 0.000 1.048 553 K CA 1.772 57.830 56.287 -0.382 0.000 0.926 553 K CB -0.254 31.852 32.500 -0.657 0.000 0.714 553 K HN 0.554 nan 8.250 nan 0.000 0.448 554 Y N -0.369 119.940 120.300 0.015 0.000 2.343 554 Y HA 0.063 4.613 4.550 0.001 0.000 0.294 554 Y C 2.223 178.120 175.900 -0.006 0.000 1.122 554 Y CA 0.408 58.512 58.100 0.006 0.000 1.173 554 Y CB 0.061 38.526 38.460 0.009 0.000 1.077 554 Y HN -0.088 nan 8.280 nan 0.000 0.542 555 K N 0.138 120.610 120.400 0.121 0.000 2.020 555 K HA -0.179 4.142 4.320 0.001 0.000 0.212 555 K C 1.977 178.584 176.600 0.011 0.000 1.050 555 K CA 2.335 58.654 56.287 0.053 0.000 0.929 555 K CB -0.451 32.070 32.500 0.034 0.000 0.714 555 K HN 0.198 nan 8.250 nan 0.000 0.443 556 T N 1.594 116.138 114.554 -0.016 0.000 2.833 556 T HA -0.106 4.245 4.350 0.001 0.000 0.269 556 T C 1.753 176.417 174.700 -0.060 0.000 1.054 556 T CA 0.953 63.026 62.100 -0.044 0.000 1.135 556 T CB -0.098 68.736 68.868 -0.056 0.000 0.869 556 T HN 0.111 nan 8.240 nan 0.000 0.466 557 L N 0.168 121.366 121.223 -0.042 0.000 2.027 557 L HA -0.038 4.303 4.340 0.001 0.000 0.206 557 L C 2.971 179.818 176.870 -0.039 0.000 1.074 557 L CA 1.304 56.118 54.840 -0.044 0.000 0.745 557 L CB -0.402 41.665 42.059 0.012 0.000 0.898 557 L HN 0.152 nan 8.230 nan 0.000 0.433 558 R N -0.130 120.371 120.500 0.002 0.000 2.094 558 R HA -0.253 4.087 4.340 0.001 0.000 0.239 558 R C 2.225 178.501 176.300 -0.041 0.000 1.137 558 R CA 1.991 58.086 56.100 -0.008 0.000 0.943 558 R CB -0.338 29.971 30.300 0.014 0.000 0.850 558 R HN 0.398 nan 8.270 nan 0.000 0.433 559 E N 0.959 121.134 120.200 -0.043 0.000 2.038 559 E HA -0.200 4.151 4.350 0.001 0.000 0.195 559 E C 1.938 178.484 176.600 -0.090 0.000 1.000 559 E CA 1.636 58.002 56.400 -0.056 0.000 0.803 559 E CB -0.129 29.543 29.700 -0.048 0.000 0.750 559 E HN 0.469 nan 8.360 nan 0.000 0.448 560 I N -1.999 118.501 120.570 -0.117 0.000 3.334 560 I HA -0.054 4.116 4.170 0.001 0.000 0.282 560 I C 1.607 177.583 176.117 -0.235 0.000 1.313 560 I CA 0.749 61.947 61.300 -0.170 0.000 1.396 560 I CB -0.110 37.774 38.000 -0.194 0.000 1.054 560 I HN -0.043 nan 8.210 nan 0.000 0.495 561 R N 1.247 121.630 120.500 -0.195 0.000 2.312 561 R HA 0.233 4.574 4.340 0.001 0.000 0.205 561 R C 0.356 176.557 176.300 -0.165 0.000 0.904 561 R CA -0.154 55.814 56.100 -0.221 0.000 1.052 561 R CB 0.207 30.412 30.300 -0.157 0.000 1.014 561 R HN 0.336 nan 8.270 nan 0.000 0.503 562 K N 1.021 121.347 120.400 -0.123 0.000 2.436 562 K HA 0.216 4.537 4.320 0.001 0.000 0.275 562 K C 0.463 177.009 176.600 -0.091 0.000 0.999 562 K CA 0.782 57.018 56.287 -0.086 0.000 0.980 562 K CB 0.723 33.185 32.500 -0.064 0.000 0.919 562 K HN 0.245 nan 8.250 nan 0.000 0.484 563 G N 1.456 110.218 108.800 -0.063 0.000 2.592 563 G HA2 -0.206 3.754 3.960 0.001 0.000 0.684 563 G HA3 -0.206 3.754 3.960 0.001 0.000 0.684 563 G C -1.108 173.764 174.900 -0.046 0.000 1.291 563 G CA -0.595 44.474 45.100 -0.051 0.000 0.891 563 G HN 0.764 nan 8.290 nan 0.000 0.544 564 N N -1.270 117.415 118.700 -0.025 0.000 2.458 564 N HA 0.533 5.274 4.740 0.001 0.000 0.271 564 N C 1.375 176.887 175.510 0.003 0.000 1.210 564 N CA 0.404 53.450 53.050 -0.006 0.000 0.978 564 N CB 0.203 38.696 38.487 0.010 0.000 1.206 564 N HN 0.621 nan 8.380 nan 0.000 0.536 565 T N -0.466 114.112 114.554 0.040 0.000 2.737 565 T HA -0.208 4.142 4.350 0.001 0.000 0.269 565 T C 1.460 176.229 174.700 0.115 0.000 1.040 565 T CA 1.744 63.906 62.100 0.104 0.000 1.142 565 T CB -0.190 68.750 68.868 0.120 0.000 0.861 565 T HN 0.666 nan 8.240 nan 0.000 0.456 566 K N 1.102 121.548 120.400 0.077 0.000 2.026 566 K HA -0.119 4.202 4.320 0.001 0.000 0.208 566 K C 2.531 179.174 176.600 0.073 0.000 1.048 566 K CA 1.250 57.585 56.287 0.079 0.000 0.929 566 K CB -0.138 32.397 32.500 0.058 0.000 0.713 566 K HN 0.182 nan 8.250 nan 0.000 0.439 567 R N 0.697 121.220 120.500 0.039 0.000 2.112 567 R HA -0.185 4.156 4.340 0.001 0.000 0.242 567 R C 2.198 178.511 176.300 0.022 0.000 1.137 567 R CA 2.133 58.246 56.100 0.020 0.000 0.944 567 R CB -0.133 30.162 30.300 -0.009 0.000 0.857 567 R HN 0.213 nan 8.270 nan 0.000 0.435 568 R N -0.407 120.087 120.500 -0.009 0.000 2.119 568 R HA 0.002 4.342 4.340 0.001 0.000 0.222 568 R C 2.236 178.605 176.300 0.115 0.000 1.088 568 R CA 1.091 57.151 56.100 -0.067 0.000 0.984 568 R CB 0.019 30.099 30.300 -0.366 0.000 0.884 568 R HN 0.133 nan 8.270 nan 0.000 0.447 569 V N 1.628 121.671 119.914 0.215 0.000 2.626 569 V HA -0.204 3.916 4.120 0.001 0.000 0.252 569 V C 1.437 177.702 176.094 0.284 0.000 1.067 569 V CA 1.695 64.156 62.300 0.269 0.000 1.081 569 V CB -0.392 31.562 31.823 0.218 0.000 0.686 569 V HN 0.239 nan 8.190 nan 0.000 0.468 570 D N -0.181 120.328 120.400 0.182 0.000 2.085 570 D HA -0.150 4.491 4.640 0.001 0.000 0.199 570 D C 2.292 178.677 176.300 0.141 0.000 0.981 570 D CA 1.103 55.190 54.000 0.145 0.000 0.834 570 D CB -0.343 40.511 40.800 0.089 0.000 0.992 570 D HN 0.453 nan 8.370 nan 0.000 0.457 571 Q N -0.303 119.564 119.800 0.112 0.000 2.156 571 Q HA -0.219 4.122 4.340 0.001 0.000 0.211 571 Q C 2.147 178.230 176.000 0.138 0.000 0.995 571 Q CA 1.314 57.170 55.803 0.087 0.000 0.877 571 Q CB -0.348 28.415 28.738 0.041 0.000 0.920 571 Q HN 0.300 nan 8.270 nan 0.000 0.416 572 F N 1.689 121.687 119.950 0.081 0.000 2.134 572 F HA -0.170 4.357 4.527 -0.001 0.000 0.299 572 F C 2.018 177.917 175.800 0.165 0.000 1.097 572 F CA 1.336 59.420 58.000 0.140 0.000 1.264 572 F CB 0.027 39.160 39.000 0.222 0.000 1.001 572 F HN -0.032 nan 8.300 nan 0.000 0.479 573 E N 0.355 120.563 120.200 0.012 0.000 2.106 573 E HA -0.162 4.188 4.350 0.001 0.000 0.192 573 E C 1.803 178.342 176.600 -0.101 0.000 0.984 573 E CA 0.949 57.294 56.400 -0.091 0.000 0.806 573 E CB -0.543 29.225 29.700 0.114 0.000 0.750 573 E HN 0.515 nan 8.360 nan 0.000 0.458 574 N N 0.338 119.017 118.700 -0.036 0.000 2.354 574 N HA -0.023 4.717 4.740 0.001 0.000 0.179 574 N C 1.223 176.704 175.510 -0.049 0.000 1.021 574 N CA 0.337 53.371 53.050 -0.026 0.000 0.887 574 N CB -0.002 38.488 38.487 0.005 0.000 0.974 574 N HN 0.197 nan 8.380 nan 0.000 0.437 575 M N 0.000 119.555 119.600 -0.075 0.000 2.572 575 M HA 0.000 4.481 4.480 0.001 0.000 0.227 575 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 575 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 575 M HN 0.000 nan 8.290 nan 0.000 0.411