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 1n1s_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASLAPGSSR VELFKRKNST VPFEESNGTI RERVVHSFRI PTIVNVDGVM DATA SEQUENCE VAIADARYET SFDNSFIETA VKYSVDDGAT WNTQIAIKNS RASSVSRVMD DATA SEQUENCE ATVIVKGNKL YILVGSFNKT RNSWTQHRDG SDWEPLLVVG EVTKSAANGK DATA SEQUENCE TTATISWGKP VSLKPLFPAE FDGILTKEFV GGVGAAIVAS NGNLVYPVQI DATA SEQUENCE ADMGGRVFTK IMYSEDDGNT WKFAEGRSKF GCSEPAVLEW EGKLIINNRV DATA SEQUENCE DGNRRLVYES SDMGKTWVEA LGTLSHVWTN SPTSNQQDCQ SSFVAVTIEG DATA SEQUENCE KRVMLFTHPL NLKGRWMRDR LHLWMTDNQR IFDVGQISIG DENSGYSSVL DATA SEQUENCE YKDDKLYSLH EINTNDVYSL VFVRLIGELQ LMKSVVRTWK EEDNHLASIc DATA SEQUENCE TPVVPAXXXX XXGcGAAVPT AGLVGFLSHS ANGSVWEDVY RCVDANVANA DATA SEQUENCE ERVPNGLKFN GVGGGAVWPV ARQGQTRRYQ FANYRFTLVA TVTIDELPKG DATA SEQUENCE TSPLLGAGLE GPGDAKLLGL SYDKNRQWRP LYGAAPASPT GSWELHKKYH DATA SEQUENCE VVLTMADRQG SVYVDGQPLA GSGNTVVRGA TLPDISHFYI GGPRSKGAPT DATA SEQUENCE DSRVTVTNVV LYNRRLNSSE IRTLFLSQDM IGTD 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.522 177.584 -0.103 0.000 1.274 1 A CA 0.000 51.999 52.037 -0.064 0.000 0.836 1 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 2 A N 0.125 122.905 122.820 -0.067 0.000 2.259 2 A HA 0.601 4.957 4.320 0.060 0.000 0.208 2 A C 0.861 178.392 177.584 -0.089 0.000 1.201 2 A CA 1.366 53.365 52.037 -0.062 0.000 0.824 2 A CB -0.381 18.609 19.000 -0.016 0.000 0.838 2 A HN 2.117 nan 8.150 nan 0.000 0.485 3 S N -1.894 113.742 115.700 -0.106 0.000 2.611 3 S HA 0.426 4.932 4.470 0.060 0.000 0.268 3 S C -1.154 173.388 174.600 -0.096 0.000 1.156 3 S CA -0.765 57.377 58.200 -0.097 0.000 0.817 3 S CB 0.353 63.522 63.200 -0.052 0.000 1.122 3 S HN 0.744 nan 8.310 nan 0.000 0.466 4 L N 3.262 124.439 121.223 -0.078 0.000 2.747 4 L HA 0.303 4.679 4.340 0.060 0.000 0.286 4 L C 0.687 177.526 176.870 -0.052 0.000 1.216 4 L CA 1.223 56.027 54.840 -0.060 0.000 0.930 4 L CB -0.624 41.420 42.059 -0.025 0.000 1.216 4 L HN 0.792 nan 8.230 nan 0.000 0.486 5 A N 6.871 129.658 122.820 -0.056 0.000 2.466 5 A HA 0.442 4.798 4.320 0.060 0.000 0.238 5 A C -2.161 175.404 177.584 -0.031 0.000 1.074 5 A CA -0.953 51.058 52.037 -0.044 0.000 0.774 5 A CB -0.739 18.236 19.000 -0.042 0.000 1.015 5 A HN 0.752 nan 8.150 nan 0.000 0.498 6 P HA 0.283 nan 4.420 nan 0.000 0.265 6 P C 1.034 178.323 177.300 -0.019 0.000 1.193 6 P CA 1.748 64.837 63.100 -0.018 0.000 0.765 6 P CB 0.682 32.374 31.700 -0.014 0.000 0.823 7 G N 1.611 110.402 108.800 -0.017 0.000 2.268 7 G HA2 -0.231 3.765 3.960 0.060 0.000 0.240 7 G HA3 -0.231 3.765 3.960 0.060 0.000 0.240 7 G C 0.488 175.374 174.900 -0.023 0.000 1.010 7 G CA 0.067 45.156 45.100 -0.017 0.000 0.618 7 G HN 0.584 nan 8.290 nan 0.000 0.516 8 S N 0.214 115.897 115.700 -0.028 0.000 2.652 8 S HA 0.800 5.306 4.470 0.060 0.000 0.270 8 S C 0.359 174.943 174.600 -0.026 0.000 1.243 8 S CA 0.495 58.673 58.200 -0.037 0.000 0.999 8 S CB 1.678 64.852 63.200 -0.043 0.000 0.973 8 S HN 1.792 nan 8.310 nan 0.000 0.544 9 S N 0.511 116.192 115.700 -0.030 0.000 2.615 9 S HA 0.797 5.303 4.470 0.060 0.000 0.269 9 S C -1.231 173.354 174.600 -0.026 0.000 1.161 9 S CA -1.253 56.938 58.200 -0.016 0.000 0.817 9 S CB 1.740 64.939 63.200 -0.001 0.000 1.131 9 S HN 0.990 nan 8.310 nan 0.000 0.467 10 R N -0.741 119.756 120.500 -0.006 0.000 2.734 10 R HA 0.834 5.210 4.340 0.060 0.000 0.271 10 R C -1.559 174.762 176.300 0.035 0.000 1.021 10 R CA -0.976 55.121 56.100 -0.005 0.000 0.893 10 R CB 1.253 31.543 30.300 -0.017 0.000 1.244 10 R HN 1.219 nan 8.270 nan 0.000 0.464 11 V N -2.122 117.837 119.914 0.074 0.000 3.001 11 V HA 0.516 4.672 4.120 0.060 0.000 0.314 11 V C -0.356 175.758 176.094 0.034 0.000 1.099 11 V CA -1.000 61.343 62.300 0.071 0.000 0.989 11 V CB 1.877 33.773 31.823 0.123 0.000 1.040 11 V HN 0.977 nan 8.190 nan 0.000 0.434 12 E N 1.404 121.599 120.200 -0.009 0.000 1.814 12 E HA 0.207 4.593 4.350 0.060 0.000 0.264 12 E C 0.590 177.127 176.600 -0.105 0.000 1.179 12 E CA -0.401 55.976 56.400 -0.038 0.000 0.972 12 E CB 0.908 30.589 29.700 -0.031 0.000 1.077 12 E HN 0.747 nan 8.360 nan 0.000 0.417 13 L N 4.534 125.675 121.223 -0.137 0.000 2.027 13 L HA 0.007 4.383 4.340 0.060 0.000 0.206 13 L C 0.007 176.521 176.870 -0.593 0.000 1.074 13 L CA 1.762 56.358 54.840 -0.406 0.000 0.745 13 L CB 0.050 41.798 42.059 -0.519 0.000 0.898 13 L HN 0.387 nan 8.230 nan 0.000 0.433 14 F N 1.260 120.917 119.950 -0.488 0.000 2.293 14 F HA 0.346 4.909 4.527 0.060 0.000 0.370 14 F C 0.254 175.798 175.800 -0.426 0.000 1.090 14 F CA -0.751 56.782 58.000 -0.778 0.000 1.133 14 F CB 0.422 38.788 39.000 -1.058 0.000 1.360 14 F HN -0.188 nan 8.300 nan 0.000 0.489 15 K N 4.502 124.817 120.400 -0.142 0.000 2.262 15 K HA 0.303 4.659 4.320 0.060 0.000 0.282 15 K C 0.138 176.875 176.600 0.228 0.000 1.066 15 K CA -0.831 55.484 56.287 0.046 0.000 0.901 15 K CB 1.077 33.568 32.500 -0.014 0.000 1.089 15 K HN 0.626 nan 8.250 nan 0.000 0.476 16 R N 2.532 123.166 120.500 0.223 0.000 2.638 16 R HA -0.043 4.333 4.340 0.060 0.000 0.268 16 R C -0.507 175.818 176.300 0.042 0.000 1.006 16 R CA 0.021 56.208 56.100 0.146 0.000 1.088 16 R CB -0.050 30.265 30.300 0.025 0.000 0.950 16 R HN 0.614 nan 8.270 nan 0.000 0.419 17 K N 0.479 120.871 120.400 -0.014 0.000 3.012 17 K HA -0.309 4.047 4.320 0.060 0.000 0.259 17 K C 0.069 176.683 176.600 0.022 0.000 0.989 17 K CA 1.271 57.541 56.287 -0.029 0.000 0.728 17 K CB -0.919 31.524 32.500 -0.094 0.000 1.260 17 K HN 0.912 nan 8.250 nan 0.000 0.480 18 N N -1.046 117.699 118.700 0.075 0.000 2.584 18 N HA -0.025 4.751 4.740 0.060 0.000 0.318 18 N C -0.682 174.877 175.510 0.081 0.000 0.669 18 N CA 0.024 53.109 53.050 0.059 0.000 1.248 18 N CB 0.489 38.995 38.487 0.033 0.000 1.659 18 N HN 0.049 nan 8.380 nan 0.000 1.460 19 S N 1.448 117.220 115.700 0.120 0.000 2.549 19 S HA 0.219 4.725 4.470 0.060 0.000 0.286 19 S C 0.296 175.012 174.600 0.193 0.000 1.314 19 S CA 0.083 58.336 58.200 0.087 0.000 1.062 19 S CB 0.858 64.025 63.200 -0.055 0.000 0.865 19 S HN 0.492 nan 8.310 nan 0.000 0.498 20 T N -0.461 114.165 114.554 0.120 0.000 2.945 20 T HA 0.751 5.137 4.350 0.060 0.000 0.286 20 T C -0.119 174.684 174.700 0.172 0.000 1.025 20 T CA -0.896 61.298 62.100 0.157 0.000 1.039 20 T CB 1.153 70.088 68.868 0.110 0.000 1.068 20 T HN 0.555 nan 8.240 nan 0.000 0.497 21 V N -2.140 117.910 119.914 0.227 0.000 2.914 21 V HA 0.776 4.932 4.120 0.060 0.000 0.314 21 V C -2.965 173.280 176.094 0.253 0.000 1.084 21 V CA -3.173 59.267 62.300 0.233 0.000 0.963 21 V CB 1.848 33.839 31.823 0.280 0.000 1.025 21 V HN 0.790 nan 8.190 nan 0.000 0.432 22 P HA 0.194 nan 4.420 nan 0.000 0.260 22 P C -0.739 176.704 177.300 0.237 0.000 1.651 22 P CA 0.162 63.376 63.100 0.190 0.000 1.139 22 P CB -0.346 31.432 31.700 0.130 0.000 1.756 23 F N 2.731 122.762 119.950 0.136 0.000 2.467 23 F HA 0.185 4.748 4.527 0.059 0.000 0.362 23 F C 0.684 176.523 175.800 0.065 0.000 1.090 23 F CA -0.624 57.446 58.000 0.117 0.000 1.202 23 F CB 0.706 39.751 39.000 0.076 0.000 1.113 23 F HN 0.194 nan 8.300 nan 0.000 0.541 24 E N 5.885 125.703 120.200 -0.637 0.000 2.115 24 E HA 0.135 4.521 4.350 0.060 0.000 0.282 24 E C -0.499 175.650 176.600 -0.752 0.000 0.987 24 E CA -0.750 55.356 56.400 -0.491 0.000 0.797 24 E CB 0.604 30.141 29.700 -0.273 0.000 1.086 24 E HN 0.571 nan 8.360 nan 0.000 0.397 25 E N 2.450 122.414 120.200 -0.392 0.000 2.392 25 E HA 0.034 4.420 4.350 0.060 0.000 0.256 25 E C 1.164 177.669 176.600 -0.159 0.000 1.145 25 E CA 0.590 56.858 56.400 -0.221 0.000 0.929 25 E CB 0.864 30.546 29.700 -0.029 0.000 0.998 25 E HN 0.798 nan 8.360 nan 0.000 0.442 26 S N 1.726 117.380 115.700 -0.077 0.000 2.400 26 S HA -0.234 4.271 4.470 0.060 0.000 0.232 26 S C 1.315 175.890 174.600 -0.041 0.000 1.025 26 S CA 1.987 60.158 58.200 -0.048 0.000 0.993 26 S CB -0.805 62.387 63.200 -0.013 0.000 0.808 26 S HN 0.607 nan 8.310 nan 0.000 0.478 27 N N -0.986 117.693 118.700 -0.034 0.000 2.322 27 N HA 0.385 5.161 4.740 0.060 0.000 0.216 27 N C 1.067 176.560 175.510 -0.028 0.000 1.144 27 N CA 0.433 53.469 53.050 -0.024 0.000 0.830 27 N CB 0.153 38.633 38.487 -0.012 0.000 1.034 27 N HN 0.414 nan 8.380 nan 0.000 0.484 28 G N -0.038 108.734 108.800 -0.047 0.000 2.234 28 G HA2 -0.366 3.630 3.960 0.060 0.000 0.260 28 G HA3 -0.366 3.630 3.960 0.060 0.000 0.260 28 G C 0.313 175.190 174.900 -0.039 0.000 0.987 28 G CA 0.693 45.767 45.100 -0.044 0.000 0.625 28 G HN 0.565 nan 8.290 nan 0.000 0.532 29 T N 0.548 115.083 114.554 -0.031 0.000 2.918 29 T HA 0.561 4.947 4.350 0.060 0.000 0.302 29 T C 0.414 175.102 174.700 -0.019 0.000 1.045 29 T CA -0.108 61.985 62.100 -0.013 0.000 1.114 29 T CB 0.325 69.195 68.868 0.004 0.000 0.965 29 T HN 0.424 nan 8.240 nan 0.000 0.540 30 I N 5.169 125.744 120.570 0.008 0.000 2.404 30 I HA 0.508 4.714 4.170 0.060 0.000 0.293 30 I C 0.285 176.444 176.117 0.070 0.000 0.992 30 I CA -0.826 60.490 61.300 0.027 0.000 1.149 30 I CB 1.450 39.468 38.000 0.030 0.000 1.315 30 I HN 0.608 nan 8.210 nan 0.000 0.446 31 R N 5.294 125.869 120.500 0.125 0.000 2.686 31 R HA 0.445 4.821 4.340 0.060 0.000 0.283 31 R C -1.226 175.176 176.300 0.170 0.000 0.978 31 R CA -0.776 55.406 56.100 0.137 0.000 0.897 31 R CB 1.855 32.241 30.300 0.143 0.000 1.192 31 R HN 0.370 nan 8.270 nan 0.000 0.457 32 E N 3.394 123.670 120.200 0.126 0.000 2.166 32 E HA 0.084 4.469 4.350 0.060 0.000 0.279 32 E C -0.584 176.095 176.600 0.133 0.000 1.095 32 E CA 0.001 56.479 56.400 0.130 0.000 0.888 32 E CB 0.978 30.732 29.700 0.090 0.000 1.041 32 E HN 0.399 nan 8.360 nan 0.000 0.414 33 R N 2.535 123.143 120.500 0.179 0.000 2.445 33 R HA 0.330 4.706 4.340 0.060 0.000 0.308 33 R C -0.599 175.803 176.300 0.171 0.000 0.961 33 R CA -0.655 55.534 56.100 0.148 0.000 0.862 33 R CB 1.031 31.406 30.300 0.126 0.000 1.144 33 R HN 0.189 nan 8.270 nan 0.000 0.447 34 V N 4.590 124.573 119.914 0.115 0.000 2.715 34 V HA 0.133 4.289 4.120 0.060 0.000 0.299 34 V C -0.007 176.152 176.094 0.107 0.000 1.054 34 V CA -0.206 62.159 62.300 0.108 0.000 1.077 34 V CB 1.460 33.323 31.823 0.066 0.000 0.972 34 V HN 0.490 nan 8.190 nan 0.000 0.484 35 V N 3.876 123.817 119.914 0.045 0.000 2.495 35 V HA 0.269 4.424 4.120 0.060 0.000 0.298 35 V C 0.960 176.956 176.094 -0.164 0.000 1.031 35 V CA -0.434 61.768 62.300 -0.164 0.000 0.871 35 V CB 1.275 32.715 31.823 -0.638 0.000 0.988 35 V HN 0.988 nan 8.190 nan 0.000 0.432 36 H N 2.848 121.799 119.070 -0.198 0.000 2.270 36 H HA 0.017 4.609 4.556 0.060 0.000 0.299 36 H C 0.439 175.668 175.328 -0.166 0.000 1.077 36 H CA 1.744 57.713 56.048 -0.133 0.000 1.294 36 H CB 0.612 30.316 29.762 -0.098 0.000 1.371 36 H HN 0.584 nan 8.280 nan 0.000 0.491 37 S N -0.831 114.829 115.700 -0.067 0.000 2.549 37 S HA 0.433 4.939 4.470 0.060 0.000 0.280 37 S C -1.441 172.922 174.600 -0.395 0.000 1.109 37 S CA -0.634 57.528 58.200 -0.063 0.000 0.905 37 S CB 1.834 65.144 63.200 0.184 0.000 1.081 37 S HN 0.198 nan 8.310 nan 0.000 0.477 38 F N 2.087 122.020 119.950 -0.028 0.000 2.426 38 F HA 0.601 5.164 4.527 0.060 0.000 0.348 38 F C 0.840 176.524 175.800 -0.194 0.000 1.124 38 F CA -0.576 57.339 58.000 -0.141 0.000 1.008 38 F CB 1.304 40.230 39.000 -0.123 0.000 1.139 38 F HN 0.223 nan 8.300 nan 0.000 0.452 39 R N 2.573 122.981 120.500 -0.153 0.000 2.905 39 R HA 0.601 4.977 4.340 0.060 0.000 0.260 39 R C -0.907 175.235 176.300 -0.264 0.000 1.086 39 R CA -1.136 54.799 56.100 -0.275 0.000 0.978 39 R CB 1.970 31.978 30.300 -0.487 0.000 1.215 39 R HN 0.550 nan 8.270 nan 0.000 0.480 40 I N -0.224 120.170 120.570 -0.294 0.000 7.004 40 I HA -0.144 4.062 4.170 0.060 0.000 0.126 40 I C -2.333 173.746 176.117 -0.063 0.000 1.826 40 I CA -0.176 61.030 61.300 -0.157 0.000 2.066 40 I CB -2.407 35.482 38.000 -0.185 0.000 3.565 40 I HN 0.498 nan 8.210 nan 0.000 0.178 41 P HA 0.438 nan 4.420 nan 0.000 0.284 41 P C -0.200 177.124 177.300 0.039 0.000 1.253 41 P CA 0.167 63.235 63.100 -0.053 0.000 0.800 41 P CB 1.794 33.474 31.700 -0.033 0.000 0.961 42 T N 3.468 118.044 114.554 0.037 0.000 2.921 42 T HA 0.509 4.895 4.350 0.060 0.000 0.297 42 T C -0.482 174.296 174.700 0.130 0.000 1.013 42 T CA -0.356 61.806 62.100 0.102 0.000 0.990 42 T CB 0.999 69.936 68.868 0.115 0.000 1.023 42 T HN 0.375 nan 8.240 nan 0.000 0.447 43 I N 4.484 125.157 120.570 0.172 0.000 2.436 43 I HA 0.748 4.954 4.170 0.060 0.000 0.289 43 I C -0.649 175.590 176.117 0.203 0.000 1.010 43 I CA -0.789 60.635 61.300 0.208 0.000 1.098 43 I CB 0.797 38.954 38.000 0.262 0.000 1.266 43 I HN 0.536 nan 8.210 nan 0.000 0.434 44 V N 3.367 123.396 119.914 0.192 0.000 3.155 44 V HA 0.682 4.838 4.120 0.060 0.000 0.313 44 V C -1.066 175.112 176.094 0.140 0.000 1.162 44 V CA -0.838 61.562 62.300 0.168 0.000 1.048 44 V CB 1.896 33.816 31.823 0.161 0.000 1.092 44 V HN 0.795 nan 8.190 nan 0.000 0.447 45 N N 0.481 119.249 118.700 0.114 0.000 2.443 45 N HA 0.572 5.347 4.740 0.060 0.000 0.269 45 N C -1.352 174.193 175.510 0.058 0.000 0.985 45 N CA -0.406 52.690 53.050 0.076 0.000 0.921 45 N CB 1.624 40.153 38.487 0.071 0.000 1.195 45 N HN 0.699 nan 8.380 nan 0.000 0.492 46 V N 3.469 123.403 119.914 0.034 0.000 2.304 46 V HA 0.281 4.437 4.120 0.060 0.000 0.278 46 V C -0.258 175.826 176.094 -0.017 0.000 1.018 46 V CA -0.653 61.652 62.300 0.008 0.000 0.814 46 V CB 0.821 32.634 31.823 -0.017 0.000 1.021 46 V HN 0.763 nan 8.190 nan 0.000 0.440 47 D N 4.401 124.794 120.400 -0.011 0.000 2.751 47 D HA -0.186 4.490 4.640 0.060 0.000 0.233 47 D C 1.362 177.647 176.300 -0.025 0.000 1.149 47 D CA 2.072 56.060 54.000 -0.021 0.000 0.682 47 D CB -1.111 39.666 40.800 -0.038 0.000 1.068 47 D HN 1.325 nan 8.370 nan 0.000 0.429 48 G N -2.674 106.115 108.800 -0.017 0.000 2.175 48 G HA2 -0.277 3.719 3.960 0.060 0.000 0.244 48 G HA3 -0.277 3.719 3.960 0.060 0.000 0.244 48 G C 0.316 175.193 174.900 -0.037 0.000 0.982 48 G CA 0.116 45.201 45.100 -0.024 0.000 0.641 48 G HN 0.681 nan 8.290 nan 0.000 0.527 49 V N 2.434 122.328 119.914 -0.033 0.000 2.394 49 V HA 0.578 4.734 4.120 0.060 0.000 0.282 49 V C 0.885 176.973 176.094 -0.011 0.000 1.031 49 V CA -0.434 61.845 62.300 -0.034 0.000 0.881 49 V CB 1.545 33.349 31.823 -0.032 0.000 0.982 49 V HN 0.352 nan 8.190 nan 0.000 0.451 50 M N 4.783 124.351 119.600 -0.054 0.000 2.200 50 M HA 0.360 4.876 4.480 0.060 0.000 0.355 50 M C -0.799 175.593 176.300 0.153 0.000 1.283 50 M CA 0.045 55.346 55.300 0.003 0.000 1.124 50 M CB 1.106 33.626 32.600 -0.134 0.000 1.625 50 M HN 0.400 nan 8.290 nan 0.000 0.463 51 V N 3.135 123.182 119.914 0.220 0.000 2.443 51 V HA 0.627 4.783 4.120 0.060 0.000 0.293 51 V C -0.279 176.001 176.094 0.310 0.000 1.021 51 V CA -0.872 61.612 62.300 0.307 0.000 0.848 51 V CB 1.495 33.468 31.823 0.250 0.000 0.998 51 V HN 0.925 nan 8.190 nan 0.000 0.424 52 A N 6.288 129.323 122.820 0.357 0.000 2.288 52 A HA 0.922 5.278 4.320 0.060 0.000 0.320 52 A C -0.818 176.911 177.584 0.241 0.000 1.217 52 A CA -0.353 51.847 52.037 0.273 0.000 0.840 52 A CB 0.503 19.656 19.000 0.255 0.000 1.179 52 A HN 0.727 nan 8.150 nan 0.000 0.504 53 I N 1.627 122.261 120.570 0.108 0.000 2.474 53 I HA 0.746 4.952 4.170 0.060 0.000 0.294 53 I C 0.388 176.427 176.117 -0.130 0.000 1.005 53 I CA 0.099 61.416 61.300 0.029 0.000 1.113 53 I CB 2.141 40.176 38.000 0.059 0.000 1.289 53 I HN 0.813 nan 8.210 nan 0.000 0.436 54 A N 3.221 125.931 122.820 -0.184 0.000 2.610 54 A HA 0.639 4.995 4.320 0.060 0.000 0.291 54 A C -1.795 175.690 177.584 -0.166 0.000 1.086 54 A CA -0.757 51.122 52.037 -0.264 0.000 0.677 54 A CB 1.040 19.678 19.000 -0.603 0.000 1.278 54 A HN 0.530 nan 8.150 nan 0.000 0.414 55 D N 1.425 121.720 120.400 -0.175 0.000 2.348 55 D HA 0.490 5.166 4.640 0.060 0.000 0.253 55 D C 0.235 176.415 176.300 -0.199 0.000 1.161 55 D CA 0.906 54.795 54.000 -0.185 0.000 0.876 55 D CB 1.368 42.035 40.800 -0.222 0.000 1.160 55 D HN 0.773 nan 8.370 nan 0.000 0.459 56 A N 4.346 127.004 122.820 -0.269 0.000 2.366 56 A HA 0.301 4.657 4.320 0.060 0.000 0.322 56 A C 0.179 177.374 177.584 -0.648 0.000 1.397 56 A CA -0.675 51.039 52.037 -0.538 0.000 0.984 56 A CB 0.171 18.839 19.000 -0.553 0.000 1.149 56 A HN 0.418 nan 8.150 nan 0.000 0.540 57 R N 3.189 123.362 120.500 -0.544 0.000 2.408 57 R HA 0.200 4.576 4.340 0.060 0.000 0.308 57 R C -0.377 175.766 176.300 -0.261 0.000 1.210 57 R CA -0.131 55.775 56.100 -0.322 0.000 1.115 57 R CB 0.130 30.278 30.300 -0.253 0.000 1.127 57 R HN 0.850 nan 8.270 nan 0.000 0.523 58 Y N 1.132 121.373 120.300 -0.099 0.000 2.165 58 Y HA -0.254 4.331 4.550 0.059 0.000 0.286 58 Y C 1.959 177.839 175.900 -0.034 0.000 1.155 58 Y CA 1.368 59.433 58.100 -0.057 0.000 1.164 58 Y CB 0.321 38.814 38.460 0.056 0.000 0.978 58 Y HN 0.432 nan 8.280 nan 0.000 0.513 59 E N -1.622 118.647 120.200 0.114 0.000 2.399 59 E HA 0.129 4.515 4.350 0.060 0.000 0.205 59 E C 0.556 177.009 176.600 -0.244 0.000 0.906 59 E CA 0.643 57.046 56.400 0.005 0.000 0.998 59 E CB 0.920 30.626 29.700 0.010 0.000 1.002 59 E HN 0.223 nan 8.360 nan 0.000 0.501 60 T N -1.020 113.288 114.554 -0.411 0.000 2.749 60 T HA 0.135 4.521 4.350 0.060 0.000 0.310 60 T C 0.172 174.548 174.700 -0.539 0.000 1.496 60 T CA 0.136 61.734 62.100 -0.836 0.000 1.006 60 T CB 1.108 69.749 68.868 -0.377 0.000 1.457 60 T HN -0.068 nan 8.240 nan 0.000 0.497 61 S N 0.805 116.181 115.700 -0.541 0.000 2.528 61 S HA 0.275 4.781 4.470 0.060 0.000 0.219 61 S C 0.553 174.958 174.600 -0.326 0.000 0.985 61 S CA -0.211 57.804 58.200 -0.308 0.000 0.914 61 S CB -0.595 62.564 63.200 -0.068 0.000 0.776 61 S HN 0.481 nan 8.310 nan 0.000 0.526 62 F N 3.415 123.261 119.950 -0.173 0.000 2.553 62 F HA 0.207 4.770 4.527 0.060 0.000 0.356 62 F C 1.455 177.154 175.800 -0.169 0.000 1.142 62 F CA -0.804 57.097 58.000 -0.166 0.000 1.322 62 F CB 0.115 39.031 39.000 -0.140 0.000 1.126 62 F HN -0.016 nan 8.300 nan 0.000 0.599 63 D N 0.345 120.776 120.400 0.051 0.000 2.117 63 D HA -0.179 4.497 4.640 0.060 0.000 0.197 63 D C 0.592 176.858 176.300 -0.057 0.000 0.987 63 D CA 1.402 55.365 54.000 -0.061 0.000 0.829 63 D CB -0.217 40.526 40.800 -0.095 0.000 0.961 63 D HN 0.397 nan 8.370 nan 0.000 0.460 64 N N 1.095 119.777 118.700 -0.030 0.000 3.124 64 N HA 0.091 4.867 4.740 0.060 0.000 0.284 64 N C -0.366 175.154 175.510 0.017 0.000 1.209 64 N CA 0.072 53.102 53.050 -0.034 0.000 1.149 64 N CB 0.411 38.862 38.487 -0.060 0.000 1.434 64 N HN 0.124 nan 8.380 nan 0.000 0.529 65 S N -0.415 115.307 115.700 0.037 0.000 2.688 65 S HA 0.401 4.907 4.470 0.060 0.000 0.275 65 S C -0.768 173.912 174.600 0.134 0.000 1.175 65 S CA -0.894 57.358 58.200 0.087 0.000 0.818 65 S CB 1.107 64.350 63.200 0.073 0.000 1.157 65 S HN 0.130 nan 8.310 nan 0.000 0.482 66 F N 1.596 121.563 119.950 0.029 0.000 2.494 66 F HA 0.594 5.157 4.527 0.060 0.000 0.369 66 F C -0.460 175.436 175.800 0.160 0.000 1.098 66 F CA -0.444 57.602 58.000 0.075 0.000 1.154 66 F CB -0.428 38.591 39.000 0.032 0.000 1.103 66 F HN 0.405 nan 8.300 nan 0.000 0.549 67 I N 5.426 125.865 120.570 -0.218 0.000 2.686 67 I HA 0.377 4.583 4.170 0.060 0.000 0.295 67 I C -0.812 175.184 176.117 -0.201 0.000 1.114 67 I CA -0.746 60.459 61.300 -0.158 0.000 1.038 67 I CB 2.356 40.276 38.000 -0.133 0.000 1.238 67 I HN 0.456 nan 8.210 nan 0.000 0.420 68 E N 2.330 122.457 120.200 -0.122 0.000 2.392 68 E HA 0.454 4.840 4.350 0.060 0.000 0.269 68 E C -1.257 175.273 176.600 -0.117 0.000 0.924 68 E CA -0.895 55.461 56.400 -0.073 0.000 0.784 68 E CB 2.513 32.283 29.700 0.118 0.000 1.292 68 E HN 0.421 nan 8.360 nan 0.000 0.447 69 T N 1.383 115.865 114.554 -0.119 0.000 2.723 69 T HA 0.446 4.832 4.350 0.060 0.000 0.297 69 T C -0.267 174.357 174.700 -0.126 0.000 0.925 69 T CA -0.448 61.565 62.100 -0.145 0.000 1.030 69 T CB 0.677 69.427 68.868 -0.197 0.000 0.905 69 T HN 0.464 nan 8.240 nan 0.000 0.502 70 A N 3.497 126.286 122.820 -0.052 0.000 2.282 70 A HA 0.822 5.178 4.320 0.060 0.000 0.319 70 A C -0.404 177.225 177.584 0.075 0.000 1.121 70 A CA -0.600 51.470 52.037 0.055 0.000 0.836 70 A CB 0.880 20.015 19.000 0.225 0.000 1.146 70 A HN 0.655 nan 8.150 nan 0.000 0.494 71 V N 1.436 121.438 119.914 0.146 0.000 2.760 71 V HA 0.440 4.596 4.120 0.060 0.000 0.309 71 V C -0.476 175.784 176.094 0.276 0.000 1.077 71 V CA -0.693 61.751 62.300 0.240 0.000 0.910 71 V CB 2.161 34.140 31.823 0.260 0.000 1.008 71 V HN 0.930 nan 8.190 nan 0.000 0.424 72 K N 3.758 124.335 120.400 0.295 0.000 2.397 72 K HA 0.678 5.034 4.320 0.060 0.000 0.253 72 K C -1.678 175.195 176.600 0.455 0.000 0.932 72 K CA -0.674 55.699 56.287 0.143 0.000 0.795 72 K CB 2.386 34.656 32.500 -0.384 0.000 1.159 72 K HN 0.745 nan 8.250 nan 0.000 0.424 73 Y N -1.469 119.053 120.300 0.370 0.000 2.545 73 Y HA 0.723 5.309 4.550 0.060 0.000 0.348 73 Y C -0.691 175.200 175.900 -0.015 0.000 1.002 73 Y CA -1.088 57.163 58.100 0.250 0.000 1.039 73 Y CB 2.126 40.671 38.460 0.143 0.000 1.271 73 Y HN 0.400 nan 8.280 nan 0.000 0.467 74 S N 1.364 116.940 115.700 -0.206 0.000 2.548 74 S HA 0.446 4.952 4.470 0.060 0.000 0.276 74 S C -0.141 174.276 174.600 -0.305 0.000 1.129 74 S CA -0.228 57.616 58.200 -0.594 0.000 0.931 74 S CB 1.402 63.658 63.200 -1.574 0.000 1.068 74 S HN 1.368 nan 8.310 nan 0.000 0.480 75 V N 0.819 120.606 119.914 -0.212 0.000 3.647 75 V HA 0.380 4.535 4.120 0.060 0.000 0.279 75 V C 0.215 176.215 176.094 -0.156 0.000 1.314 75 V CA 0.823 63.047 62.300 -0.127 0.000 1.125 75 V CB -0.506 31.282 31.823 -0.059 0.000 0.907 75 V HN 0.815 nan 8.190 nan 0.000 0.434 76 D N -1.096 119.161 120.400 -0.237 0.000 2.891 76 D HA 0.188 4.864 4.640 0.060 0.000 0.332 76 D C 0.040 176.221 176.300 -0.198 0.000 1.369 76 D CA -0.418 53.473 54.000 -0.181 0.000 0.827 76 D CB -0.518 40.190 40.800 -0.152 0.000 1.141 76 D HN 0.209 nan 8.370 nan 0.000 0.464 77 D N 0.424 120.685 120.400 -0.232 0.000 2.751 77 D HA -0.169 4.507 4.640 0.060 0.000 0.233 77 D C 1.279 177.486 176.300 -0.154 0.000 1.149 77 D CA 1.643 55.540 54.000 -0.172 0.000 0.682 77 D CB -1.259 39.554 40.800 0.022 0.000 1.068 77 D HN 0.769 nan 8.370 nan 0.000 0.429 78 G N -1.539 106.946 108.800 -0.524 0.000 2.179 78 G HA2 -0.235 3.761 3.960 0.060 0.000 0.220 78 G HA3 -0.235 3.761 3.960 0.060 0.000 0.220 78 G C 1.173 175.969 174.900 -0.172 0.000 0.990 78 G CA 0.864 45.703 45.100 -0.436 0.000 0.646 78 G HN 0.876 nan 8.290 nan 0.000 0.517 79 A N -0.362 122.334 122.820 -0.207 0.000 1.858 79 A HA 0.433 4.789 4.320 0.060 0.000 0.216 79 A C 1.665 179.177 177.584 -0.122 0.000 1.190 79 A CA 2.669 54.653 52.037 -0.090 0.000 0.617 79 A CB -0.413 18.537 19.000 -0.082 0.000 0.827 79 A HN 1.937 nan 8.150 nan 0.000 0.443 80 T N -5.351 109.024 114.554 -0.298 0.000 2.906 80 T HA 0.577 4.963 4.350 0.060 0.000 0.295 80 T C -1.242 173.171 174.700 -0.479 0.000 1.061 80 T CA -0.686 61.276 62.100 -0.230 0.000 1.000 80 T CB 1.339 70.110 68.868 -0.162 0.000 1.103 80 T HN 0.366 nan 8.240 nan 0.000 0.486 81 W N 0.812 121.967 121.300 -0.241 0.000 3.022 81 W HA 0.623 5.319 4.660 0.060 0.000 0.335 81 W C -0.532 175.756 176.519 -0.385 0.000 1.133 81 W CA -0.610 56.533 57.345 -0.338 0.000 1.219 81 W CB 1.792 31.032 29.460 -0.366 0.000 1.409 81 W HN 0.555 nan 8.180 nan 0.000 0.507 82 N N 0.867 119.339 118.700 -0.380 0.000 2.456 82 N HA 0.612 5.388 4.740 0.060 0.000 0.296 82 N C -0.826 174.509 175.510 -0.292 0.000 1.102 82 N CA -0.393 52.393 53.050 -0.440 0.000 0.924 82 N CB 1.732 39.743 38.487 -0.792 0.000 1.186 82 N HN 0.181 nan 8.380 nan 0.000 0.492 83 T N 1.513 116.001 114.554 -0.109 0.000 2.829 83 T HA 0.556 4.942 4.350 0.060 0.000 0.280 83 T C -0.393 174.368 174.700 0.101 0.000 0.999 83 T CA -0.652 61.440 62.100 -0.013 0.000 0.983 83 T CB 1.483 70.319 68.868 -0.054 0.000 0.968 83 T HN 0.323 nan 8.240 nan 0.000 0.446 84 Q N 1.278 121.175 119.800 0.161 0.000 2.553 84 Q HA 0.559 4.935 4.340 0.060 0.000 0.293 84 Q C -1.299 174.767 176.000 0.109 0.000 1.038 84 Q CA -1.121 54.789 55.803 0.177 0.000 0.777 84 Q CB 2.192 31.106 28.738 0.293 0.000 1.487 84 Q HN 0.383 nan 8.270 nan 0.000 0.426 85 I N 1.671 122.282 120.570 0.068 0.000 2.330 85 I HA 0.247 4.453 4.170 0.060 0.000 0.286 85 I C 0.525 176.544 176.117 -0.165 0.000 1.025 85 I CA 0.077 61.377 61.300 -0.000 0.000 1.197 85 I CB 0.757 38.805 38.000 0.081 0.000 1.358 85 I HN 0.910 nan 8.210 nan 0.000 0.467 86 A N 7.681 130.248 122.820 -0.422 0.000 1.970 86 A HA 0.228 4.584 4.320 0.060 0.000 0.216 86 A C 0.906 178.163 177.584 -0.543 0.000 1.170 86 A CA 1.001 52.454 52.037 -0.972 0.000 0.645 86 A CB 0.157 18.065 19.000 -1.819 0.000 0.816 86 A HN 0.604 nan 8.150 nan 0.000 0.447 87 I N -0.011 120.361 120.570 -0.331 0.000 2.512 87 I HA 0.258 4.464 4.170 0.060 0.000 0.287 87 I C -0.820 175.223 176.117 -0.123 0.000 1.069 87 I CA -0.609 60.572 61.300 -0.197 0.000 1.056 87 I CB 2.096 39.979 38.000 -0.196 0.000 1.229 87 I HN -0.012 nan 8.210 nan 0.000 0.429 88 K N 4.967 125.314 120.400 -0.088 0.000 2.098 88 K HA 0.351 4.707 4.320 0.060 0.000 0.257 88 K C -0.063 176.488 176.600 -0.082 0.000 0.999 88 K CA -0.624 55.625 56.287 -0.063 0.000 0.924 88 K CB 1.078 33.544 32.500 -0.058 0.000 1.028 88 K HN 0.687 nan 8.250 nan 0.000 0.466 89 N N -1.020 117.623 118.700 -0.095 0.000 2.448 89 N HA 0.012 4.788 4.740 0.060 0.000 0.274 89 N C 0.636 176.118 175.510 -0.047 0.000 1.239 89 N CA -0.424 52.563 53.050 -0.104 0.000 0.982 89 N CB 0.982 39.360 38.487 -0.182 0.000 1.199 89 N HN 0.523 nan 8.380 nan 0.000 0.576 90 S N -0.624 115.059 115.700 -0.028 0.000 2.481 90 S HA -0.075 4.431 4.470 0.060 0.000 0.231 90 S C 0.588 175.217 174.600 0.048 0.000 0.996 90 S CA -0.007 58.191 58.200 -0.002 0.000 0.942 90 S CB -0.372 62.822 63.200 -0.010 0.000 0.768 90 S HN 0.669 nan 8.310 nan 0.000 0.520 91 R N -0.367 120.201 120.500 0.113 0.000 3.875 91 R HA -0.174 4.202 4.340 0.060 0.000 0.321 91 R C 1.029 177.407 176.300 0.129 0.000 1.196 91 R CA 0.863 57.079 56.100 0.193 0.000 0.868 91 R CB -2.736 27.653 30.300 0.148 0.000 1.333 91 R HN 0.688 nan 8.270 nan 0.000 0.522 92 A N 0.034 122.916 122.820 0.102 0.000 2.016 92 A HA 0.110 4.466 4.320 0.060 0.000 0.217 92 A C 1.056 178.685 177.584 0.073 0.000 1.162 92 A CA 1.510 53.589 52.037 0.069 0.000 0.662 92 A CB 0.170 19.201 19.000 0.052 0.000 0.812 92 A HN 0.721 nan 8.150 nan 0.000 0.450 93 S N -2.812 112.953 115.700 0.109 0.000 2.661 93 S HA 0.325 4.831 4.470 0.060 0.000 0.268 93 S C 0.636 175.315 174.600 0.131 0.000 1.162 93 S CA 0.418 58.671 58.200 0.088 0.000 0.817 93 S CB 0.436 63.677 63.200 0.069 0.000 1.141 93 S HN 0.808 nan 8.310 nan 0.000 0.477 94 S N -0.127 115.613 115.700 0.068 0.000 2.547 94 S HA -0.011 4.495 4.470 0.060 0.000 0.235 94 S C 1.345 176.051 174.600 0.175 0.000 0.980 94 S CA 0.858 59.087 58.200 0.047 0.000 0.941 94 S CB -0.913 62.272 63.200 -0.024 0.000 0.763 94 S HN 1.761 nan 8.310 nan 0.000 0.532 95 V N -2.275 117.744 119.914 0.174 0.000 3.276 95 V HA 0.437 4.593 4.120 0.060 0.000 0.319 95 V C 0.195 176.390 176.094 0.168 0.000 1.427 95 V CA -0.680 61.718 62.300 0.163 0.000 1.102 95 V CB -0.423 31.449 31.823 0.082 0.000 1.020 95 V HN 0.248 nan 8.190 nan 0.000 0.456 96 S N 3.382 119.211 115.700 0.214 0.000 2.549 96 S HA 0.532 5.038 4.470 0.060 0.000 0.286 96 S C 0.193 174.800 174.600 0.012 0.000 1.314 96 S CA -0.084 58.196 58.200 0.133 0.000 1.062 96 S CB 0.167 63.453 63.200 0.144 0.000 0.865 96 S HN 0.927 nan 8.310 nan 0.000 0.498 97 R N -0.222 120.295 120.500 0.028 0.000 2.594 97 R HA 0.598 4.974 4.340 0.060 0.000 0.265 97 R C -1.744 174.562 176.300 0.009 0.000 1.070 97 R CA -1.035 55.051 56.100 -0.022 0.000 0.909 97 R CB 0.672 30.993 30.300 0.035 0.000 1.243 97 R HN 0.386 nan 8.270 nan 0.000 0.455 98 V N 0.808 120.681 119.914 -0.069 0.000 2.448 98 V HA 0.814 4.970 4.120 0.060 0.000 0.295 98 V C 0.004 176.050 176.094 -0.080 0.000 1.025 98 V CA -0.753 61.497 62.300 -0.083 0.000 0.859 98 V CB 1.203 32.950 31.823 -0.127 0.000 0.988 98 V HN 0.991 nan 8.190 nan 0.000 0.431 99 M N 1.560 121.125 119.600 -0.058 0.000 2.880 99 M HA 0.671 5.187 4.480 0.060 0.000 0.269 99 M C -1.302 174.949 176.300 -0.082 0.000 1.248 99 M CA -0.510 54.745 55.300 -0.074 0.000 0.821 99 M CB 2.210 34.777 32.600 -0.055 0.000 1.650 99 M HN 0.560 nan 8.290 nan 0.000 0.479 100 D N 0.297 120.639 120.400 -0.096 0.000 2.705 100 D HA -0.090 4.586 4.640 0.060 0.000 0.240 100 D C -0.140 176.125 176.300 -0.060 0.000 1.137 100 D CA 1.349 55.303 54.000 -0.075 0.000 0.677 100 D CB -1.367 39.373 40.800 -0.099 0.000 1.049 100 D HN 0.973 nan 8.370 nan 0.000 0.427 101 A N 0.508 123.298 122.820 -0.050 0.000 2.511 101 A HA 0.436 4.792 4.320 0.060 0.000 0.242 101 A C 0.804 178.407 177.584 0.031 0.000 1.069 101 A CA 0.528 52.548 52.037 -0.028 0.000 0.763 101 A CB 0.562 19.547 19.000 -0.026 0.000 1.001 101 A HN 0.152 nan 8.150 nan 0.000 0.498 102 T N 2.143 116.726 114.554 0.048 0.000 2.824 102 T HA 0.548 4.934 4.350 0.060 0.000 0.282 102 T C -0.562 174.322 174.700 0.307 0.000 0.993 102 T CA -0.374 61.820 62.100 0.157 0.000 0.967 102 T CB 1.332 70.268 68.868 0.113 0.000 0.960 102 T HN 0.485 nan 8.240 nan 0.000 0.441 103 V N 4.314 124.425 119.914 0.329 0.000 2.604 103 V HA 0.606 4.762 4.120 0.060 0.000 0.305 103 V C -0.508 175.757 176.094 0.285 0.000 1.043 103 V CA -0.859 61.639 62.300 0.329 0.000 0.888 103 V CB 1.833 33.800 31.823 0.240 0.000 0.995 103 V HN 0.808 nan 8.190 nan 0.000 0.429 104 I N 3.815 124.551 120.570 0.277 0.000 2.498 104 I HA 0.534 4.740 4.170 0.060 0.000 0.290 104 I C -0.802 175.471 176.117 0.259 0.000 1.032 104 I CA -0.915 60.484 61.300 0.165 0.000 1.073 104 I CB 2.324 40.301 38.000 -0.038 0.000 1.251 104 I HN 0.267 nan 8.210 nan 0.000 0.426 105 V N 5.998 126.023 119.914 0.185 0.000 2.435 105 V HA 0.444 4.600 4.120 0.060 0.000 0.290 105 V C -0.209 175.981 176.094 0.161 0.000 1.030 105 V CA -0.594 61.812 62.300 0.176 0.000 0.881 105 V CB 1.718 33.615 31.823 0.122 0.000 0.983 105 V HN 0.631 nan 8.190 nan 0.000 0.445 106 K N 3.321 123.840 120.400 0.198 0.000 2.601 106 K HA 0.590 4.946 4.320 0.060 0.000 0.249 106 K C 0.535 177.201 176.600 0.110 0.000 0.966 106 K CA 0.394 56.771 56.287 0.150 0.000 0.827 106 K CB 1.448 34.052 32.500 0.173 0.000 1.178 106 K HN 0.962 nan 8.250 nan 0.000 0.437 107 G N 3.596 112.431 108.800 0.058 0.000 2.591 107 G HA2 -0.393 3.603 3.960 0.060 0.000 0.298 107 G HA3 -0.393 3.603 3.960 0.060 0.000 0.298 107 G C 0.151 175.054 174.900 0.005 0.000 1.195 107 G CA 0.518 45.634 45.100 0.027 0.000 0.989 107 G HN 0.818 nan 8.290 nan 0.000 0.551 108 N N 1.353 120.039 118.700 -0.024 0.000 2.276 108 N HA 0.158 4.934 4.740 0.060 0.000 0.212 108 N C 0.225 175.668 175.510 -0.112 0.000 1.127 108 N CA 0.490 53.501 53.050 -0.066 0.000 0.834 108 N CB 0.346 38.784 38.487 -0.082 0.000 1.014 108 N HN 0.720 nan 8.380 nan 0.000 0.491 109 K N 0.482 120.831 120.400 -0.085 0.000 2.203 109 K HA 0.492 4.848 4.320 0.060 0.000 0.251 109 K C -0.902 175.609 176.600 -0.149 0.000 0.944 109 K CA -0.712 55.461 56.287 -0.191 0.000 0.829 109 K CB 2.185 34.534 32.500 -0.251 0.000 1.125 109 K HN -0.017 nan 8.250 nan 0.000 0.430 110 L N 2.994 124.074 121.223 -0.238 0.000 2.333 110 L HA 0.415 4.791 4.340 0.060 0.000 0.280 110 L C -1.196 175.618 176.870 -0.093 0.000 1.004 110 L CA -0.709 54.111 54.840 -0.032 0.000 0.820 110 L CB 0.801 42.905 42.059 0.076 0.000 1.247 110 L HN 0.500 nan 8.230 nan 0.000 0.416 111 Y N 4.160 124.590 120.300 0.217 0.000 2.342 111 Y HA 0.571 5.156 4.550 0.059 0.000 0.338 111 Y C -0.034 176.076 175.900 0.350 0.000 0.965 111 Y CA -0.493 57.781 58.100 0.290 0.000 1.159 111 Y CB 1.216 39.862 38.460 0.310 0.000 1.157 111 Y HN 0.338 nan 8.280 nan 0.000 0.486 112 I N 5.231 126.040 120.570 0.398 0.000 2.406 112 I HA 0.295 4.501 4.170 0.060 0.000 0.290 112 I C -1.177 175.011 176.117 0.119 0.000 0.999 112 I CA -0.988 60.471 61.300 0.265 0.000 1.124 112 I CB 1.853 39.951 38.000 0.164 0.000 1.289 112 I HN 0.373 nan 8.210 nan 0.000 0.441 113 L N 9.201 130.409 121.223 -0.026 0.000 2.313 113 L HA 0.726 5.102 4.340 0.060 0.000 0.283 113 L C -0.546 176.195 176.870 -0.215 0.000 1.013 113 L CA -0.364 54.321 54.840 -0.259 0.000 0.816 113 L CB 1.557 43.186 42.059 -0.716 0.000 1.236 113 L HN 0.432 nan 8.230 nan 0.000 0.419 114 V N 1.508 121.288 119.914 -0.224 0.000 3.102 114 V HA 0.975 5.131 4.120 0.060 0.000 0.312 114 V C 0.168 176.100 176.094 -0.269 0.000 1.135 114 V CA -0.370 61.809 62.300 -0.202 0.000 1.022 114 V CB 1.371 33.095 31.823 -0.165 0.000 1.056 114 V HN 0.890 nan 8.190 nan 0.000 0.436 115 G N 0.492 109.163 108.800 -0.215 0.000 2.338 115 G HA2 0.528 4.524 3.960 0.060 0.000 0.298 115 G HA3 0.528 4.524 3.960 0.060 0.000 0.298 115 G C -0.436 174.242 174.900 -0.370 0.000 1.140 115 G CA -0.143 44.788 45.100 -0.282 0.000 0.860 115 G HN 1.086 nan 8.290 nan 0.000 0.470 116 S N 0.972 116.261 115.700 -0.685 0.000 2.473 116 S HA 0.795 5.301 4.470 0.060 0.000 0.307 116 S C -1.118 173.040 174.600 -0.737 0.000 1.094 116 S CA -0.666 57.228 58.200 -0.510 0.000 1.070 116 S CB 0.366 63.325 63.200 -0.402 0.000 1.019 116 S HN 0.342 nan 8.310 nan 0.000 0.480 117 F N 3.292 123.233 119.950 -0.015 0.000 2.576 117 F HA 0.538 5.101 4.527 0.061 0.000 0.313 117 F C 1.087 176.898 175.800 0.018 0.000 1.078 117 F CA -0.928 57.102 58.000 0.050 0.000 0.921 117 F CB 1.877 40.941 39.000 0.108 0.000 1.232 117 F HN 0.457 nan 8.300 nan 0.000 0.459 118 N N 0.908 119.723 118.700 0.191 0.000 2.420 118 N HA 0.100 4.875 4.740 0.060 0.000 0.185 118 N C 0.763 176.340 175.510 0.112 0.000 1.033 118 N CA 0.914 54.030 53.050 0.110 0.000 0.879 118 N CB 0.215 38.739 38.487 0.062 0.000 1.071 118 N HN 0.566 nan 8.380 nan 0.000 0.437 119 K N 0.069 120.529 120.400 0.100 0.000 2.521 119 K HA 0.132 4.488 4.320 0.060 0.000 0.213 119 K C -0.219 176.400 176.600 0.032 0.000 1.223 119 K CA 0.021 56.344 56.287 0.060 0.000 1.013 119 K CB 1.253 33.774 32.500 0.034 0.000 1.017 119 K HN 0.133 nan 8.250 nan 0.000 0.591 120 T N -0.210 114.359 114.554 0.025 0.000 2.930 120 T HA 0.186 4.572 4.350 0.060 0.000 0.306 120 T C 0.804 175.503 174.700 -0.002 0.000 1.045 120 T CA -0.305 61.772 62.100 -0.037 0.000 1.134 120 T CB 1.345 70.102 68.868 -0.184 0.000 0.961 120 T HN 0.078 nan 8.240 nan 0.000 0.545 121 R N 1.319 121.811 120.500 -0.012 0.000 2.334 121 R HA 0.129 4.505 4.340 0.060 0.000 0.212 121 R C 0.416 176.703 176.300 -0.021 0.000 0.897 121 R CA -0.269 55.817 56.100 -0.023 0.000 1.056 121 R CB 0.082 30.360 30.300 -0.036 0.000 1.046 121 R HN 0.777 nan 8.270 nan 0.000 0.513 122 N N 0.423 119.146 118.700 0.038 0.000 2.483 122 N HA 0.082 4.858 4.740 0.060 0.000 0.285 122 N C -0.313 175.266 175.510 0.115 0.000 1.210 122 N CA -0.609 52.479 53.050 0.063 0.000 0.931 122 N CB 0.817 39.355 38.487 0.086 0.000 1.220 122 N HN -0.129 nan 8.380 nan 0.000 0.542 123 S N -0.658 115.045 115.700 0.006 0.000 2.603 123 S HA 0.112 4.618 4.470 0.060 0.000 0.268 123 S C 1.343 175.752 174.600 -0.318 0.000 1.317 123 S CA -0.875 57.282 58.200 -0.072 0.000 1.012 123 S CB 0.314 63.507 63.200 -0.012 0.000 0.926 123 S HN 0.804 nan 8.310 nan 0.000 0.539 124 W N 1.974 122.870 121.300 -0.674 0.000 2.325 124 W HA -0.179 4.512 4.660 0.052 0.000 0.299 124 W C 1.486 177.653 176.519 -0.587 0.000 1.215 124 W CA 2.315 59.118 57.345 -0.903 0.000 1.244 124 W CB -2.363 26.845 29.460 -0.420 0.000 1.140 124 W HN 0.824 nan 8.180 nan 0.000 0.523 125 T N -1.487 112.576 114.554 -0.819 0.000 3.035 125 T HA 0.041 4.427 4.350 0.060 0.000 0.268 125 T C 2.098 176.598 174.700 -0.334 0.000 1.109 125 T CA 2.220 63.910 62.100 -0.684 0.000 1.119 125 T CB -0.690 67.803 68.868 -0.625 0.000 0.900 125 T HN 0.370 nan 8.240 nan 0.000 0.503 126 Q N 0.447 120.106 119.800 -0.235 0.000 2.425 126 Q HA 0.167 4.543 4.340 0.060 0.000 0.204 126 Q C 0.623 176.662 176.000 0.064 0.000 0.933 126 Q CA 0.222 55.981 55.803 -0.072 0.000 0.939 126 Q CB -0.816 27.905 28.738 -0.029 0.000 1.044 126 Q HN 0.796 nan 8.270 nan 0.000 0.513 127 H N 0.005 119.049 119.070 -0.043 0.000 2.928 127 H HA 0.400 4.990 4.556 0.056 0.000 0.338 127 H C 1.844 177.168 175.328 -0.007 0.000 1.047 127 H CA 0.455 56.505 56.048 0.002 0.000 1.435 127 H CB 0.922 30.718 29.762 0.057 0.000 1.428 127 H HN 0.491 nan 8.280 nan 0.000 0.590 128 R N 2.747 123.318 120.500 0.118 0.000 2.091 128 R HA -0.087 4.289 4.340 0.060 0.000 0.238 128 R C 0.567 176.907 176.300 0.066 0.000 1.136 128 R CA 2.197 58.333 56.100 0.060 0.000 0.959 128 R CB -0.855 29.465 30.300 0.033 0.000 0.856 128 R HN 0.901 nan 8.270 nan 0.000 0.437 129 D N -5.602 114.857 120.400 0.098 0.000 2.895 129 D HA 0.383 5.059 4.640 0.060 0.000 0.320 129 D C 0.672 177.075 176.300 0.172 0.000 1.249 129 D CA 0.066 54.130 54.000 0.107 0.000 0.997 129 D CB 0.397 41.248 40.800 0.086 0.000 1.430 129 D HN 0.039 nan 8.370 nan 0.000 0.558 130 G N -1.095 107.823 108.800 0.197 0.000 3.371 130 G HA2 0.143 4.139 3.960 0.060 0.000 0.248 130 G HA3 0.143 4.139 3.960 0.060 0.000 0.248 130 G C 0.953 176.080 174.900 0.379 0.000 1.161 130 G CA 0.497 45.785 45.100 0.313 0.000 0.796 130 G HN 0.499 nan 8.290 nan 0.000 0.539 131 S N -0.213 115.626 115.700 0.231 0.000 2.442 131 S HA -0.129 4.377 4.470 0.060 0.000 0.236 131 S C 1.537 176.229 174.600 0.153 0.000 1.007 131 S CA 1.401 59.702 58.200 0.168 0.000 0.965 131 S CB 0.006 63.266 63.200 0.099 0.000 0.773 131 S HN 0.256 nan 8.310 nan 0.000 0.504 132 D N -0.224 120.290 120.400 0.191 0.000 2.339 132 D HA 0.161 4.837 4.640 0.060 0.000 0.217 132 D C -0.122 176.324 176.300 0.243 0.000 1.050 132 D CA -0.176 53.931 54.000 0.178 0.000 0.856 132 D CB 0.154 41.028 40.800 0.124 0.000 0.922 132 D HN 0.688 nan 8.370 nan 0.000 0.518 133 W N 0.900 122.206 121.300 0.010 0.000 2.689 133 W HA 0.541 5.214 4.660 0.023 0.000 0.340 133 W C -1.252 175.107 176.519 -0.267 0.000 1.060 133 W CA -0.601 56.599 57.345 -0.241 0.000 1.218 133 W CB 1.140 30.539 29.460 -0.102 0.000 1.410 133 W HN -0.316 nan 8.180 nan 0.000 0.528 134 E N 4.855 124.222 120.200 -1.388 0.000 2.331 134 E HA 0.264 4.650 4.350 0.060 0.000 0.275 134 E C -2.615 173.033 176.600 -1.587 0.000 0.895 134 E CA -2.160 53.316 56.400 -1.541 0.000 0.753 134 E CB 2.897 32.147 29.700 -0.749 0.000 1.216 134 E HN 0.106 nan 8.360 nan 0.000 0.434 135 P HA 0.287 nan 4.420 nan 0.000 0.297 135 P C -0.804 176.151 177.300 -0.576 0.000 1.342 135 P CA -0.301 62.246 63.100 -0.923 0.000 0.801 135 P CB 0.510 31.553 31.700 -1.094 0.000 0.920 136 L N 4.118 125.077 121.223 -0.439 0.000 2.309 136 L HA 0.516 4.892 4.340 0.060 0.000 0.282 136 L C 0.122 176.873 176.870 -0.198 0.000 1.036 136 L CA -1.113 53.559 54.840 -0.281 0.000 0.806 136 L CB 1.566 43.480 42.059 -0.242 0.000 1.220 136 L HN 0.229 nan 8.230 nan 0.000 0.429 137 L N 4.262 125.422 121.223 -0.106 0.000 2.313 137 L HA 0.657 5.033 4.340 0.060 0.000 0.283 137 L C -0.767 176.147 176.870 0.073 0.000 1.013 137 L CA -0.239 54.601 54.840 0.000 0.000 0.816 137 L CB 1.823 43.920 42.059 0.064 0.000 1.236 137 L HN 0.266 nan 8.230 nan 0.000 0.419 138 V N 5.519 125.506 119.914 0.122 0.000 2.588 138 V HA 0.570 4.726 4.120 0.060 0.000 0.304 138 V C -0.654 175.569 176.094 0.215 0.000 1.042 138 V CA -0.712 61.682 62.300 0.156 0.000 0.877 138 V CB 2.166 34.064 31.823 0.125 0.000 0.996 138 V HN 0.509 nan 8.190 nan 0.000 0.425 139 V N 3.398 123.402 119.914 0.150 0.000 2.417 139 V HA 0.809 4.965 4.120 0.060 0.000 0.291 139 V C 0.615 176.679 176.094 -0.050 0.000 1.024 139 V CA -0.253 62.027 62.300 -0.033 0.000 0.861 139 V CB 1.664 33.396 31.823 -0.153 0.000 0.985 139 V HN 0.974 nan 8.190 nan 0.000 0.436 140 G N 2.827 111.477 108.800 -0.250 0.000 2.420 140 G HA2 0.680 4.676 3.960 0.060 0.000 0.331 140 G HA3 0.680 4.676 3.960 0.060 0.000 0.331 140 G C -1.148 173.389 174.900 -0.605 0.000 1.168 140 G CA -0.414 44.229 45.100 -0.761 0.000 0.936 140 G HN 0.678 nan 8.290 nan 0.000 0.479 141 E N 1.164 121.015 120.200 -0.582 0.000 2.191 141 E HA 0.450 4.835 4.350 0.060 0.000 0.263 141 E C -0.951 175.409 176.600 -0.399 0.000 0.881 141 E CA -0.584 55.583 56.400 -0.389 0.000 0.757 141 E CB 2.008 31.549 29.700 -0.265 0.000 1.147 141 E HN 0.220 nan 8.360 nan 0.000 0.414 142 V N 3.967 123.686 119.914 -0.326 0.000 2.432 142 V HA 0.294 4.450 4.120 0.060 0.000 0.275 142 V C -0.013 175.956 176.094 -0.208 0.000 1.043 142 V CA -0.134 61.987 62.300 -0.298 0.000 0.925 142 V CB 1.519 33.194 31.823 -0.247 0.000 0.985 142 V HN 0.724 nan 8.190 nan 0.000 0.466 143 T N 5.993 120.428 114.554 -0.198 0.000 2.812 143 T HA 0.412 4.798 4.350 0.060 0.000 0.282 143 T C -0.330 174.307 174.700 -0.106 0.000 0.990 143 T CA -0.693 61.327 62.100 -0.133 0.000 0.960 143 T CB 1.054 69.852 68.868 -0.118 0.000 0.948 143 T HN 0.544 nan 8.240 nan 0.000 0.438 144 K N 2.032 122.385 120.400 -0.078 0.000 2.138 144 K HA 0.712 5.068 4.320 0.060 0.000 0.263 144 K C 0.229 176.804 176.600 -0.042 0.000 0.965 144 K CA -0.579 55.675 56.287 -0.056 0.000 0.868 144 K CB 1.550 34.020 32.500 -0.049 0.000 1.083 144 K HN 0.752 nan 8.250 nan 0.000 0.443 145 S N 0.414 116.095 115.700 -0.031 0.000 3.081 145 S HA 0.881 5.387 4.470 0.060 0.000 0.316 145 S C -1.308 173.281 174.600 -0.019 0.000 1.089 145 S CA -0.770 57.416 58.200 -0.024 0.000 0.897 145 S CB 1.764 64.953 63.200 -0.019 0.000 1.358 145 S HN 0.660 nan 8.310 nan 0.000 0.678 146 A N -0.374 122.437 122.820 -0.016 0.000 2.483 146 A HA 0.713 5.069 4.320 0.060 0.000 0.315 146 A C -0.047 177.529 177.584 -0.012 0.000 1.027 146 A CA -0.316 51.713 52.037 -0.015 0.000 0.996 146 A CB -0.074 18.916 19.000 -0.017 0.000 1.288 146 A HN 1.746 nan 8.150 nan 0.000 0.371 147 A N 2.132 124.946 122.820 -0.011 0.000 2.404 147 A HA 0.496 4.852 4.320 0.060 0.000 0.258 147 A C 0.646 178.224 177.584 -0.010 0.000 1.644 147 A CA 0.281 52.313 52.037 -0.010 0.000 0.847 147 A CB -0.222 18.773 19.000 -0.009 0.000 1.473 147 A HN 1.300 nan 8.150 nan 0.000 0.602 148 N N -0.752 117.942 118.700 -0.009 0.000 2.482 148 N HA 0.398 5.174 4.740 0.060 0.000 0.242 148 N C 0.605 176.109 175.510 -0.010 0.000 1.100 148 N CA 0.194 53.238 53.050 -0.009 0.000 0.946 148 N CB 0.684 39.166 38.487 -0.007 0.000 1.227 148 N HN 1.241 nan 8.380 nan 0.000 0.508 149 G N 1.854 110.647 108.800 -0.011 0.000 2.268 149 G HA2 -0.284 3.712 3.960 0.060 0.000 0.240 149 G HA3 -0.284 3.712 3.960 0.060 0.000 0.240 149 G C -0.098 174.793 174.900 -0.015 0.000 1.010 149 G CA -0.037 45.055 45.100 -0.012 0.000 0.618 149 G HN 0.513 nan 8.290 nan 0.000 0.516 150 K N 1.763 122.153 120.400 -0.016 0.000 2.274 150 K HA 0.657 5.013 4.320 0.060 0.000 0.262 150 K C 0.016 176.604 176.600 -0.020 0.000 0.961 150 K CA -0.145 56.130 56.287 -0.020 0.000 0.833 150 K CB 1.646 34.133 32.500 -0.021 0.000 1.102 150 K HN 0.122 nan 8.250 nan 0.000 0.436 151 T N 1.989 116.528 114.554 -0.024 0.000 2.907 151 T HA 0.345 4.731 4.350 0.060 0.000 0.298 151 T C 0.132 174.821 174.700 -0.019 0.000 1.017 151 T CA -0.404 61.683 62.100 -0.022 0.000 1.118 151 T CB 0.640 69.491 68.868 -0.027 0.000 0.948 151 T HN 0.741 nan 8.240 nan 0.000 0.531 152 T N -0.869 113.679 114.554 -0.010 0.000 2.916 152 T HA 0.859 5.245 4.350 0.060 0.000 0.292 152 T C -0.862 173.848 174.700 0.016 0.000 1.064 152 T CA -1.021 61.084 62.100 0.009 0.000 1.011 152 T CB 1.979 70.855 68.868 0.012 0.000 1.152 152 T HN 0.786 nan 8.240 nan 0.000 0.510 153 A N 1.041 123.900 122.820 0.065 0.000 2.572 153 A HA 0.920 5.276 4.320 0.060 0.000 0.295 153 A C -0.115 177.492 177.584 0.038 0.000 1.072 153 A CA -0.682 51.368 52.037 0.021 0.000 0.691 153 A CB 1.551 20.547 19.000 -0.008 0.000 1.291 153 A HN 1.564 nan 8.150 nan 0.000 0.404 154 T N -1.207 113.271 114.554 -0.127 0.000 2.906 154 T HA 0.790 5.176 4.350 0.060 0.000 0.295 154 T C -0.790 173.673 174.700 -0.395 0.000 1.075 154 T CA -0.541 61.454 62.100 -0.175 0.000 1.005 154 T CB 1.115 69.947 68.868 -0.061 0.000 1.136 154 T HN 0.610 nan 8.240 nan 0.000 0.498 155 I N 1.858 122.160 120.570 -0.447 0.000 2.466 155 I HA 0.400 4.605 4.170 0.060 0.000 0.289 155 I C -0.282 175.548 176.117 -0.479 0.000 1.026 155 I CA -0.921 60.041 61.300 -0.564 0.000 1.078 155 I CB 2.300 39.886 38.000 -0.690 0.000 1.249 155 I HN 0.635 nan 8.210 nan 0.000 0.429 156 S N 4.927 120.326 115.700 -0.501 0.000 2.442 156 S HA 0.423 4.929 4.470 0.060 0.000 0.297 156 S C -1.169 173.155 174.600 -0.460 0.000 1.131 156 S CA -0.553 57.451 58.200 -0.326 0.000 1.092 156 S CB 0.571 63.657 63.200 -0.189 0.000 0.998 156 S HN 0.371 nan 8.310 nan 0.000 0.478 157 W N 1.852 123.133 121.300 -0.033 0.000 2.391 157 W HA 0.580 5.276 4.660 0.059 0.000 0.311 157 W C 0.847 177.351 176.519 -0.025 0.000 1.087 157 W CA -0.638 56.690 57.345 -0.029 0.000 1.209 157 W CB 0.880 30.333 29.460 -0.010 0.000 1.273 157 W HN 0.821 nan 8.180 nan 0.000 0.482 158 G N 1.349 110.262 108.800 0.188 0.000 2.599 158 G HA2 0.486 4.482 3.960 0.060 0.000 0.264 158 G HA3 0.486 4.482 3.960 0.060 0.000 0.264 158 G C -0.355 174.615 174.900 0.117 0.000 1.200 158 G CA -0.781 44.385 45.100 0.110 0.000 0.896 158 G HN 0.540 nan 8.290 nan 0.000 0.536 159 K N 0.545 120.987 120.400 0.071 0.000 2.326 159 K HA 0.520 4.876 4.320 0.060 0.000 0.275 159 K C -2.192 174.433 176.600 0.041 0.000 1.018 159 K CA -1.177 55.138 56.287 0.046 0.000 0.962 159 K CB -0.347 32.170 32.500 0.027 0.000 0.953 159 K HN 0.527 nan 8.250 nan 0.000 0.475 160 P HA 0.285 nan 4.420 nan 0.000 0.269 160 P C -0.965 176.328 177.300 -0.011 0.000 1.209 160 P CA -0.501 62.594 63.100 -0.008 0.000 0.776 160 P CB 0.923 32.589 31.700 -0.056 0.000 0.876 161 V N 1.693 121.602 119.914 -0.007 0.000 2.531 161 V HA 0.330 4.486 4.120 0.060 0.000 0.301 161 V C 0.233 176.295 176.094 -0.052 0.000 1.034 161 V CA -0.630 61.669 62.300 -0.002 0.000 0.865 161 V CB 1.797 33.656 31.823 0.060 0.000 0.995 161 V HN 0.588 nan 8.190 nan 0.000 0.424 162 S N 4.297 119.948 115.700 -0.081 0.000 2.545 162 S HA 0.438 4.944 4.470 0.060 0.000 0.275 162 S C 0.542 175.096 174.600 -0.078 0.000 1.299 162 S CA -0.481 57.627 58.200 -0.153 0.000 1.048 162 S CB 0.447 63.533 63.200 -0.190 0.000 0.938 162 S HN 0.626 nan 8.310 nan 0.000 0.496 163 L N 4.673 125.836 121.223 -0.101 0.000 2.700 163 L HA 0.257 4.633 4.340 0.060 0.000 0.234 163 L C 2.103 179.066 176.870 0.155 0.000 1.156 163 L CA -0.082 54.793 54.840 0.059 0.000 0.946 163 L CB -0.268 41.834 42.059 0.072 0.000 1.216 163 L HN 0.712 nan 8.230 nan 0.000 0.493 164 K N 1.718 122.108 120.400 -0.017 0.000 2.063 164 K HA -0.147 4.208 4.320 0.060 0.000 0.208 164 K C -0.596 176.144 176.600 0.233 0.000 1.048 164 K CA 1.549 57.870 56.287 0.057 0.000 0.928 164 K CB -0.500 31.898 32.500 -0.170 0.000 0.713 164 K HN 0.153 nan 8.250 nan 0.000 0.442 165 P HA -0.121 nan 4.420 nan 0.000 0.223 165 P C 0.375 177.804 177.300 0.215 0.000 1.144 165 P CA 1.055 64.251 63.100 0.159 0.000 0.783 165 P CB 0.083 31.849 31.700 0.110 0.000 0.771 166 L N -3.534 117.872 121.223 0.305 0.000 2.607 166 L HA 0.190 4.566 4.340 0.060 0.000 0.228 166 L C 0.677 177.847 176.870 0.500 0.000 1.123 166 L CA -0.342 54.721 54.840 0.372 0.000 0.890 166 L CB -0.320 41.987 42.059 0.414 0.000 1.103 166 L HN -0.084 nan 8.230 nan 0.000 0.468 167 F N 3.766 123.879 119.950 0.272 0.000 2.413 167 F HA 0.438 4.990 4.527 0.042 0.000 0.359 167 F C -1.945 173.796 175.800 -0.100 0.000 1.122 167 F CA -3.667 54.394 58.000 0.103 0.000 1.160 167 F CB 0.232 39.466 39.000 0.390 0.000 1.146 167 F HN -0.177 nan 8.300 nan 0.000 0.514 168 P HA 0.115 nan 4.420 nan 0.000 0.267 168 P C -0.147 176.591 177.300 -0.936 0.000 1.200 168 P CA 0.154 62.821 63.100 -0.723 0.000 0.772 168 P CB 0.801 31.932 31.700 -0.948 0.000 0.855 169 A N 1.643 124.131 122.820 -0.554 0.000 2.169 169 A HA 0.010 4.366 4.320 0.060 0.000 0.212 169 A C 0.756 178.069 177.584 -0.452 0.000 1.153 169 A CA 0.944 52.723 52.037 -0.430 0.000 0.756 169 A CB -0.410 18.462 19.000 -0.213 0.000 0.813 169 A HN 0.627 nan 8.150 nan 0.000 0.471 170 E N -1.218 118.644 120.200 -0.563 0.000 2.392 170 E HA 0.475 4.860 4.350 0.060 0.000 0.279 170 E C -2.047 174.213 176.600 -0.566 0.000 0.964 170 E CA -0.765 55.377 56.400 -0.429 0.000 0.777 170 E CB 0.498 30.072 29.700 -0.210 0.000 1.249 170 E HN 0.072 nan 8.360 nan 0.000 0.449 171 F N 1.542 121.435 119.950 -0.094 0.000 2.496 171 F HA 0.209 4.780 4.527 0.074 0.000 0.341 171 F C 0.119 175.867 175.800 -0.088 0.000 1.134 171 F CA -0.824 57.128 58.000 -0.080 0.000 0.968 171 F CB 1.360 40.342 39.000 -0.029 0.000 1.205 171 F HN 0.598 nan 8.300 nan 0.000 0.436 172 D N 3.101 123.560 120.400 0.099 0.000 2.692 172 D HA -0.197 4.479 4.640 0.060 0.000 0.233 172 D C 1.085 177.386 176.300 0.002 0.000 1.172 172 D CA 1.935 55.950 54.000 0.025 0.000 0.636 172 D CB -0.743 40.051 40.800 -0.010 0.000 1.028 172 D HN 1.021 nan 8.370 nan 0.000 0.419 173 G N -1.035 107.762 108.800 -0.005 0.000 2.299 173 G HA2 -0.327 3.669 3.960 0.060 0.000 0.237 173 G HA3 -0.327 3.669 3.960 0.060 0.000 0.237 173 G C 0.586 175.483 174.900 -0.006 0.000 1.027 173 G CA -0.003 45.089 45.100 -0.013 0.000 0.619 173 G HN 0.586 nan 8.290 nan 0.000 0.513 174 I N 2.697 123.281 120.570 0.023 0.000 2.505 174 I HA 0.264 4.470 4.170 0.060 0.000 0.287 174 I C 0.838 176.978 176.117 0.038 0.000 1.104 174 I CA -0.159 61.177 61.300 0.060 0.000 1.387 174 I CB 0.601 38.665 38.000 0.106 0.000 1.404 174 I HN 0.052 nan 8.210 nan 0.000 0.528 175 L N 7.105 128.334 121.223 0.011 0.000 2.313 175 L HA 0.220 4.595 4.340 0.060 0.000 0.282 175 L C 0.930 177.801 176.870 0.000 0.000 1.092 175 L CA -0.405 54.413 54.840 -0.036 0.000 0.831 175 L CB 0.565 42.602 42.059 -0.035 0.000 1.159 175 L HN 0.664 nan 8.230 nan 0.000 0.442 176 T N -0.594 113.909 114.554 -0.086 0.000 2.849 176 T HA 0.279 4.665 4.350 0.060 0.000 0.284 176 T C 0.432 175.162 174.700 0.049 0.000 1.004 176 T CA -0.575 61.515 62.100 -0.017 0.000 1.021 176 T CB 2.621 71.266 68.868 -0.371 0.000 1.013 176 T HN 0.695 nan 8.240 nan 0.000 0.527 177 K N -0.086 120.400 120.400 0.144 0.000 2.509 177 K HA 0.290 4.646 4.320 0.060 0.000 0.205 177 K C 0.032 176.608 176.600 -0.040 0.000 1.336 177 K CA -0.092 56.240 56.287 0.074 0.000 0.912 177 K CB 0.857 33.345 32.500 -0.019 0.000 1.568 177 K HN 0.831 nan 8.250 nan 0.000 0.475 178 E N -0.733 119.327 120.200 -0.235 0.000 2.433 178 E HA 0.321 4.707 4.350 0.060 0.000 0.278 178 E C -1.657 174.663 176.600 -0.468 0.000 0.976 178 E CA -0.943 54.786 56.400 -1.118 0.000 0.793 178 E CB 2.262 31.259 29.700 -1.171 0.000 1.311 178 E HN 0.133 nan 8.360 nan 0.000 0.460 179 F N -1.027 118.467 119.950 -0.760 0.000 2.613 179 F HA 0.819 5.375 4.527 0.050 0.000 0.310 179 F C -1.809 173.999 175.800 0.015 0.000 1.085 179 F CA -0.779 57.132 58.000 -0.149 0.000 0.945 179 F CB 1.033 39.900 39.000 -0.221 0.000 1.298 179 F HN 0.235 nan 8.300 nan 0.000 0.455 180 V N 1.601 121.518 119.914 0.006 0.000 3.078 180 V HA 0.802 4.958 4.120 0.060 0.000 0.311 180 V C 0.461 176.573 176.094 0.030 0.000 1.138 180 V CA -0.559 61.634 62.300 -0.179 0.000 1.007 180 V CB 1.863 33.415 31.823 -0.452 0.000 1.045 180 V HN 1.235 nan 8.190 nan 0.000 0.432 181 G N 0.687 109.448 108.800 -0.064 0.000 2.636 181 G HA2 0.398 4.393 3.960 0.060 0.000 0.246 181 G HA3 0.398 4.393 3.960 0.060 0.000 0.246 181 G C 1.058 175.980 174.900 0.037 0.000 1.216 181 G CA 0.232 45.315 45.100 -0.028 0.000 0.854 181 G HN 1.204 nan 8.290 nan 0.000 0.572 182 G N -1.804 107.062 108.800 0.110 0.000 2.776 182 G HA2 0.297 4.293 3.960 0.060 0.000 0.209 182 G HA3 0.297 4.293 3.960 0.060 0.000 0.209 182 G C 0.346 175.306 174.900 0.101 0.000 1.145 182 G CA 0.781 45.957 45.100 0.125 0.000 0.791 182 G HN 1.515 nan 8.290 nan 0.000 0.530 183 V N -1.488 118.481 119.914 0.092 0.000 3.345 183 V HA 0.248 4.404 4.120 0.060 0.000 0.481 183 V C 0.763 176.929 176.094 0.120 0.000 0.682 183 V CA 0.446 62.805 62.300 0.098 0.000 2.024 183 V CB -1.275 30.619 31.823 0.118 0.000 2.475 183 V HN 2.093 nan 8.190 nan 0.000 0.501 184 G N 2.476 111.354 108.800 0.130 0.000 2.548 184 G HA2 0.420 4.416 3.960 0.060 0.000 0.208 184 G HA3 0.420 4.416 3.960 0.060 0.000 0.208 184 G C 0.010 175.011 174.900 0.169 0.000 1.308 184 G CA 0.004 45.187 45.100 0.139 0.000 0.924 184 G HN 2.584 nan 8.290 nan 0.000 0.540 185 A N -0.091 122.828 122.820 0.166 0.000 2.354 185 A HA 0.894 5.250 4.320 0.060 0.000 0.281 185 A C 0.860 178.549 177.584 0.175 0.000 1.174 185 A CA 1.429 53.570 52.037 0.173 0.000 0.828 185 A CB 0.235 19.331 19.000 0.159 0.000 1.099 185 A HN 2.475 nan 8.150 nan 0.000 0.516 186 A N 2.610 125.536 122.820 0.177 0.000 2.806 186 A HA 0.909 5.265 4.320 0.060 0.000 0.254 186 A C 0.173 177.803 177.584 0.076 0.000 1.437 186 A CA -0.125 51.998 52.037 0.143 0.000 0.903 186 A CB 0.353 19.451 19.000 0.164 0.000 1.609 186 A HN 1.592 nan 8.150 nan 0.000 0.505 187 I N -3.380 117.204 120.570 0.023 0.000 3.174 187 I HA 0.741 4.947 4.170 0.060 0.000 0.313 187 I C -1.439 174.663 176.117 -0.026 0.000 1.155 187 I CA -1.116 60.194 61.300 0.016 0.000 0.977 187 I CB 2.041 40.060 38.000 0.032 0.000 1.248 187 I HN 0.254 nan 8.210 nan 0.000 0.453 188 V N 3.201 123.109 119.914 -0.009 0.000 2.370 188 V HA 0.654 4.810 4.120 0.060 0.000 0.283 188 V C 0.856 176.941 176.094 -0.015 0.000 1.023 188 V CA -0.344 61.940 62.300 -0.026 0.000 0.857 188 V CB 0.933 32.747 31.823 -0.014 0.000 0.985 188 V HN 0.941 nan 8.190 nan 0.000 0.443 189 A N 3.860 126.665 122.820 -0.025 0.000 2.327 189 A HA 0.392 4.748 4.320 0.060 0.000 0.255 189 A C 1.615 179.184 177.584 -0.025 0.000 1.099 189 A CA 0.380 52.402 52.037 -0.025 0.000 0.801 189 A CB 0.215 19.190 19.000 -0.041 0.000 1.062 189 A HN 1.195 nan 8.150 nan 0.000 0.496 190 S N 0.343 116.026 115.700 -0.027 0.000 2.442 190 S HA -0.191 4.314 4.470 0.060 0.000 0.236 190 S C 1.039 175.622 174.600 -0.029 0.000 1.007 190 S CA 1.354 59.537 58.200 -0.027 0.000 0.965 190 S CB -0.592 62.588 63.200 -0.033 0.000 0.773 190 S HN 0.925 nan 8.310 nan 0.000 0.504 191 N N 1.153 119.832 118.700 -0.034 0.000 2.383 191 N HA 0.248 5.024 4.740 0.060 0.000 0.192 191 N C 1.221 176.711 175.510 -0.032 0.000 1.141 191 N CA 0.638 53.668 53.050 -0.033 0.000 0.851 191 N CB -0.429 38.036 38.487 -0.038 0.000 0.976 191 N HN 0.583 nan 8.380 nan 0.000 0.465 192 G N -0.460 108.320 108.800 -0.034 0.000 2.199 192 G HA2 -0.303 3.693 3.960 0.060 0.000 0.254 192 G HA3 -0.303 3.693 3.960 0.060 0.000 0.254 192 G C -0.286 174.579 174.900 -0.057 0.000 0.982 192 G CA -0.060 45.017 45.100 -0.039 0.000 0.632 192 G HN 0.484 nan 8.290 nan 0.000 0.529 193 N N 0.652 119.321 118.700 -0.051 0.000 2.454 193 N HA 0.390 5.166 4.740 0.060 0.000 0.254 193 N C 0.755 176.220 175.510 -0.075 0.000 1.228 193 N CA 0.113 53.132 53.050 -0.051 0.000 0.900 193 N CB 0.463 38.947 38.487 -0.006 0.000 1.089 193 N HN 0.390 nan 8.380 nan 0.000 0.449 194 L N 1.548 122.689 121.223 -0.136 0.000 2.319 194 L HA 0.301 4.676 4.340 0.060 0.000 0.280 194 L C -0.281 176.592 176.870 0.004 0.000 1.099 194 L CA -0.573 54.173 54.840 -0.157 0.000 0.828 194 L CB 0.536 42.415 42.059 -0.300 0.000 1.150 194 L HN 0.096 nan 8.230 nan 0.000 0.442 195 V N 4.320 124.219 119.914 -0.025 0.000 2.409 195 V HA 0.329 4.485 4.120 0.060 0.000 0.290 195 V C -0.731 175.396 176.094 0.055 0.000 1.017 195 V CA -0.561 61.792 62.300 0.088 0.000 0.841 195 V CB 1.194 33.053 31.823 0.060 0.000 1.003 195 V HN 0.445 nan 8.190 nan 0.000 0.426 196 Y N 6.468 126.896 120.300 0.213 0.000 2.331 196 Y HA 0.484 5.071 4.550 0.062 0.000 0.338 196 Y C -2.050 173.934 175.900 0.141 0.000 0.992 196 Y CA -2.622 55.563 58.100 0.141 0.000 1.121 196 Y CB 2.578 41.071 38.460 0.055 0.000 1.184 196 Y HN 0.426 nan 8.280 nan 0.000 0.469 197 P HA 0.166 nan 4.420 nan 0.000 0.285 197 P C -1.060 176.393 177.300 0.255 0.000 1.259 197 P CA -0.175 63.090 63.100 0.274 0.000 0.794 197 P CB 1.674 33.518 31.700 0.241 0.000 0.940 198 V N 0.950 121.009 119.914 0.243 0.000 3.001 198 V HA 0.650 4.806 4.120 0.060 0.000 0.314 198 V C -0.588 175.632 176.094 0.211 0.000 1.099 198 V CA -1.107 61.331 62.300 0.230 0.000 0.989 198 V CB 1.826 33.794 31.823 0.240 0.000 1.040 198 V HN 0.582 nan 8.190 nan 0.000 0.434 199 Q N 2.578 122.512 119.800 0.223 0.000 2.316 199 Q HA 0.805 5.181 4.340 0.060 0.000 0.264 199 Q C -1.309 174.862 176.000 0.285 0.000 0.987 199 Q CA -0.698 55.237 55.803 0.220 0.000 0.852 199 Q CB 2.480 31.390 28.738 0.288 0.000 1.287 199 Q HN 0.766 nan 8.270 nan 0.000 0.448 200 I N 1.721 122.272 120.570 -0.030 0.000 2.433 200 I HA 0.587 4.793 4.170 0.060 0.000 0.292 200 I C -0.654 175.303 176.117 -0.266 0.000 1.001 200 I CA -0.966 60.265 61.300 -0.114 0.000 1.119 200 I CB 2.097 39.796 38.000 -0.502 0.000 1.289 200 I HN 0.807 nan 8.210 nan 0.000 0.438 201 A N 4.814 127.511 122.820 -0.204 0.000 2.276 201 A HA 0.585 4.941 4.320 0.060 0.000 0.316 201 A C -0.655 176.875 177.584 -0.089 0.000 1.229 201 A CA -0.628 51.167 52.037 -0.404 0.000 0.851 201 A CB 0.445 18.872 19.000 -0.956 0.000 1.165 201 A HN 0.744 nan 8.150 nan 0.000 0.513 202 D N 2.221 122.643 120.400 0.037 0.000 2.432 202 D HA 0.221 4.896 4.640 0.060 0.000 0.258 202 D C 1.149 177.447 176.300 -0.004 0.000 1.146 202 D CA -0.675 53.397 54.000 0.119 0.000 1.015 202 D CB 0.325 41.271 40.800 0.244 0.000 1.107 202 D HN 0.243 nan 8.370 nan 0.000 0.529 203 M N 0.348 119.951 119.600 0.005 0.000 2.108 203 M HA -0.012 4.504 4.480 0.060 0.000 0.261 203 M C 1.745 178.015 176.300 -0.049 0.000 1.066 203 M CA 1.648 56.936 55.300 -0.021 0.000 1.107 203 M CB -1.426 31.166 32.600 -0.013 0.000 1.356 203 M HN 0.699 nan 8.290 nan 0.000 0.406 204 G N -0.960 107.802 108.800 -0.062 0.000 3.452 204 G HA2 0.361 4.357 3.960 0.060 0.000 0.258 204 G HA3 0.361 4.357 3.960 0.060 0.000 0.258 204 G C 1.109 175.937 174.900 -0.119 0.000 1.305 204 G CA 0.379 45.425 45.100 -0.091 0.000 1.514 204 G HN 0.732 nan 8.290 nan 0.000 0.593 205 G N 0.109 108.833 108.800 -0.127 0.000 2.220 205 G HA2 -0.326 3.669 3.960 0.060 0.000 0.269 205 G HA3 -0.326 3.669 3.960 0.060 0.000 0.269 205 G C 0.787 175.585 174.900 -0.170 0.000 0.977 205 G CA 0.405 45.407 45.100 -0.163 0.000 0.634 205 G HN 0.707 nan 8.290 nan 0.000 0.539 206 R N -0.398 120.023 120.500 -0.133 0.000 2.531 206 R HA 0.577 4.953 4.340 0.060 0.000 0.273 206 R C -0.135 176.212 176.300 0.078 0.000 1.070 206 R CA -0.313 55.755 56.100 -0.053 0.000 1.112 206 R CB 1.454 31.620 30.300 -0.224 0.000 1.049 206 R HN 0.114 nan 8.270 nan 0.000 0.508 207 V N 3.356 123.379 119.914 0.181 0.000 2.680 207 V HA 0.611 4.767 4.120 0.060 0.000 0.309 207 V C -0.624 175.706 176.094 0.393 0.000 1.052 207 V CA -0.681 61.706 62.300 0.145 0.000 0.908 207 V CB 1.297 33.151 31.823 0.051 0.000 1.001 207 V HN 0.744 nan 8.190 nan 0.000 0.431 208 F N 0.485 120.535 119.950 0.167 0.000 2.711 208 F HA 0.896 5.457 4.527 0.056 0.000 0.313 208 F C -0.296 175.542 175.800 0.064 0.000 1.141 208 F CA -0.802 57.232 58.000 0.056 0.000 0.941 208 F CB 1.742 40.650 39.000 -0.154 0.000 1.349 208 F HN 0.503 nan 8.300 nan 0.000 0.464 209 T N -1.080 113.549 114.554 0.126 0.000 2.932 209 T HA 0.801 5.187 4.350 0.060 0.000 0.289 209 T C -1.045 173.688 174.700 0.055 0.000 1.039 209 T CA -0.803 61.367 62.100 0.117 0.000 1.024 209 T CB 2.367 71.412 68.868 0.294 0.000 1.090 209 T HN 0.872 nan 8.240 nan 0.000 0.496 210 K N 0.459 120.970 120.400 0.186 0.000 2.499 210 K HA 0.571 4.927 4.320 0.060 0.000 0.277 210 K C -1.232 175.630 176.600 0.436 0.000 1.025 210 K CA -1.077 55.344 56.287 0.223 0.000 0.900 210 K CB 1.897 34.419 32.500 0.036 0.000 1.494 210 K HN 0.432 nan 8.250 nan 0.000 0.442 211 I N 2.061 122.911 120.570 0.467 0.000 2.377 211 I HA 0.364 4.569 4.170 0.060 0.000 0.293 211 I C -0.394 175.893 176.117 0.285 0.000 0.987 211 I CA -0.395 61.128 61.300 0.372 0.000 1.185 211 I CB 1.396 39.614 38.000 0.363 0.000 1.341 211 I HN 0.606 nan 8.210 nan 0.000 0.455 212 M N 8.780 128.492 119.600 0.186 0.000 2.190 212 M HA 0.416 4.932 4.480 0.060 0.000 0.312 212 M C -1.740 174.752 176.300 0.320 0.000 0.990 212 M CA -0.573 54.700 55.300 -0.045 0.000 0.927 212 M CB 1.472 33.773 32.600 -0.497 0.000 1.571 212 M HN 0.517 nan 8.290 nan 0.000 0.427 213 Y N 1.541 121.962 120.300 0.202 0.000 2.605 213 Y HA 0.850 5.438 4.550 0.063 0.000 0.343 213 Y C -1.288 174.639 175.900 0.045 0.000 1.036 213 Y CA -1.282 56.948 58.100 0.216 0.000 1.065 213 Y CB 1.502 40.008 38.460 0.077 0.000 1.288 213 Y HN 0.548 nan 8.280 nan 0.000 0.481 214 S N 0.195 115.780 115.700 -0.191 0.000 2.557 214 S HA 0.382 4.888 4.470 0.060 0.000 0.291 214 S C -0.553 173.885 174.600 -0.269 0.000 1.116 214 S CA -0.655 57.182 58.200 -0.605 0.000 0.992 214 S CB 1.268 63.560 63.200 -1.515 0.000 1.028 214 S HN 0.842 nan 8.310 nan 0.000 0.484 215 E N 1.758 121.845 120.200 -0.188 0.000 2.474 215 E HA 0.078 4.463 4.350 0.060 0.000 0.195 215 E C -0.481 176.038 176.600 -0.135 0.000 1.039 215 E CA 0.160 56.508 56.400 -0.086 0.000 0.881 215 E CB 0.235 29.934 29.700 -0.003 0.000 0.970 215 E HN 0.716 nan 8.360 nan 0.000 0.486 216 D N -0.456 119.813 120.400 -0.219 0.000 2.804 216 D HA 0.056 4.732 4.640 0.060 0.000 0.308 216 D C -0.569 175.617 176.300 -0.190 0.000 1.371 216 D CA -0.512 53.386 54.000 -0.170 0.000 0.823 216 D CB -0.020 40.697 40.800 -0.138 0.000 1.126 216 D HN -0.234 nan 8.370 nan 0.000 0.467 217 D N 0.265 120.523 120.400 -0.236 0.000 2.772 217 D HA -0.127 4.549 4.640 0.060 0.000 0.233 217 D C 1.315 177.486 176.300 -0.214 0.000 1.143 217 D CA 1.647 55.522 54.000 -0.208 0.000 0.700 217 D CB -1.371 39.408 40.800 -0.035 0.000 1.076 217 D HN 0.741 nan 8.370 nan 0.000 0.430 218 G N -0.582 107.936 108.800 -0.471 0.000 2.175 218 G HA2 -0.377 3.619 3.960 0.060 0.000 0.244 218 G HA3 -0.377 3.619 3.960 0.060 0.000 0.244 218 G C 0.927 175.735 174.900 -0.154 0.000 0.982 218 G CA 0.453 45.335 45.100 -0.363 0.000 0.641 218 G HN 0.485 nan 8.290 nan 0.000 0.527 219 N N 0.258 118.842 118.700 -0.193 0.000 2.216 219 N HA -0.010 4.766 4.740 0.060 0.000 0.183 219 N C 1.114 176.572 175.510 -0.087 0.000 1.017 219 N CA 1.758 54.770 53.050 -0.064 0.000 0.861 219 N CB 0.124 38.582 38.487 -0.048 0.000 0.986 219 N HN 0.731 nan 8.380 nan 0.000 0.428 220 T N -2.600 111.782 114.554 -0.287 0.000 2.906 220 T HA 0.550 4.936 4.350 0.060 0.000 0.295 220 T C -1.425 172.961 174.700 -0.523 0.000 1.061 220 T CA -0.834 61.144 62.100 -0.205 0.000 1.000 220 T CB 1.493 70.298 68.868 -0.105 0.000 1.103 220 T HN 0.067 nan 8.240 nan 0.000 0.486 221 W N 0.615 121.881 121.300 -0.056 0.000 2.915 221 W HA 0.674 5.370 4.660 0.060 0.000 0.337 221 W C -0.372 176.018 176.519 -0.215 0.000 1.102 221 W CA -0.859 56.391 57.345 -0.158 0.000 1.224 221 W CB 2.198 31.591 29.460 -0.112 0.000 1.416 221 W HN 0.592 nan 8.180 nan 0.000 0.503 222 K N 2.024 122.291 120.400 -0.223 0.000 2.371 222 K HA 0.549 4.904 4.320 0.060 0.000 0.251 222 K C -1.460 174.993 176.600 -0.244 0.000 0.934 222 K CA -1.049 55.086 56.287 -0.254 0.000 0.798 222 K CB 2.073 34.220 32.500 -0.588 0.000 1.204 222 K HN 0.193 nan 8.250 nan 0.000 0.427 223 F N 1.762 121.771 119.950 0.097 0.000 2.391 223 F HA 0.318 4.885 4.527 0.066 0.000 0.359 223 F C 0.826 176.748 175.800 0.204 0.000 1.122 223 F CA -0.511 57.592 58.000 0.172 0.000 1.120 223 F CB 1.178 40.333 39.000 0.259 0.000 1.142 223 F HN 0.557 nan 8.300 nan 0.000 0.483 224 A N 3.369 126.435 122.820 0.410 0.000 2.406 224 A HA 0.183 4.538 4.320 0.060 0.000 0.243 224 A C 1.297 179.006 177.584 0.209 0.000 1.082 224 A CA -0.334 51.932 52.037 0.382 0.000 0.786 224 A CB 0.297 19.544 19.000 0.412 0.000 1.029 224 A HN 0.910 nan 8.150 nan 0.000 0.495 225 E N 1.269 121.564 120.200 0.160 0.000 2.150 225 E HA -0.050 4.336 4.350 0.060 0.000 0.193 225 E C 1.264 177.800 176.600 -0.105 0.000 0.985 225 E CA 0.718 57.147 56.400 0.049 0.000 0.814 225 E CB -0.175 29.565 29.700 0.066 0.000 0.752 225 E HN 0.786 nan 8.360 nan 0.000 0.466 226 G N 1.355 110.081 108.800 -0.124 0.000 2.606 226 G HA2 0.283 4.279 3.960 0.060 0.000 0.252 226 G HA3 0.283 4.279 3.960 0.060 0.000 0.252 226 G C -0.118 174.103 174.900 -1.131 0.000 1.206 226 G CA -0.403 44.362 45.100 -0.559 0.000 0.861 226 G HN 0.179 nan 8.290 nan 0.000 0.561 227 R N -1.536 118.047 120.500 -1.528 0.000 2.716 227 R HA 0.625 5.001 4.340 0.060 0.000 0.271 227 R C -0.161 175.257 176.300 -1.470 0.000 1.028 227 R CA -0.548 54.643 56.100 -1.514 0.000 0.883 227 R CB 0.781 30.637 30.300 -0.740 0.000 1.250 227 R HN 0.703 nan 8.270 nan 0.000 0.465 228 S N 0.435 115.507 115.700 -1.046 0.000 2.655 228 S HA 0.315 4.821 4.470 0.060 0.000 0.265 228 S C -0.010 174.376 174.600 -0.357 0.000 1.240 228 S CA -0.830 57.007 58.200 -0.605 0.000 0.986 228 S CB 0.734 63.888 63.200 -0.077 0.000 0.985 228 S HN 0.578 nan 8.310 nan 0.000 0.562 229 K N -0.214 120.146 120.400 -0.066 0.000 2.230 229 K HA 0.211 4.567 4.320 0.060 0.000 0.253 229 K C -0.475 176.082 176.600 -0.073 0.000 1.008 229 K CA 0.028 56.266 56.287 -0.082 0.000 0.910 229 K CB 0.092 32.667 32.500 0.124 0.000 0.994 229 K HN 0.521 nan 8.250 nan 0.000 0.495 230 F N -0.254 119.734 119.950 0.064 0.000 2.506 230 F HA 0.114 4.675 4.527 0.057 0.000 0.351 230 F C 1.672 177.547 175.800 0.124 0.000 1.136 230 F CA 1.390 59.455 58.000 0.107 0.000 1.298 230 F CB 0.753 39.784 39.000 0.050 0.000 1.145 230 F HN 0.823 nan 8.300 nan 0.000 0.593 231 G N 0.370 109.377 108.800 0.345 0.000 2.179 231 G HA2 -0.245 3.751 3.960 0.060 0.000 0.220 231 G HA3 -0.245 3.751 3.960 0.060 0.000 0.220 231 G C -0.427 174.601 174.900 0.214 0.000 0.990 231 G CA -0.400 44.838 45.100 0.230 0.000 0.646 231 G HN 0.749 nan 8.290 nan 0.000 0.517 232 C N 1.999 121.444 119.300 0.241 0.000 2.350 232 C HA 0.881 5.377 4.460 0.060 0.000 0.348 232 C C 0.961 176.086 174.990 0.226 0.000 1.260 232 C CA 0.376 59.535 59.018 0.236 0.000 1.966 232 C CB 0.828 28.733 27.740 0.275 0.000 2.380 232 C HN 1.061 nan 8.230 nan 0.000 0.535 233 S N 0.582 116.409 115.700 0.212 0.000 2.794 233 S HA 0.557 5.062 4.470 0.060 0.000 0.299 233 S C -0.767 173.943 174.600 0.184 0.000 1.179 233 S CA -0.708 57.623 58.200 0.218 0.000 0.838 233 S CB 0.411 63.754 63.200 0.238 0.000 1.206 233 S HN 0.747 nan 8.310 nan 0.000 0.523 234 E N 1.589 121.888 120.200 0.165 0.000 2.024 234 E HA -0.137 4.249 4.350 0.060 0.000 0.171 234 E C -2.235 174.439 176.600 0.123 0.000 1.417 234 E CA 0.452 56.920 56.400 0.113 0.000 0.650 234 E CB -1.332 28.395 29.700 0.045 0.000 1.044 234 E HN 0.462 nan 8.360 nan 0.000 0.308 235 P HA 0.185 nan 4.420 nan 0.000 0.275 235 P C -0.793 176.615 177.300 0.181 0.000 1.227 235 P CA -0.056 63.156 63.100 0.186 0.000 0.781 235 P CB 1.442 33.284 31.700 0.237 0.000 0.906 236 A N 2.985 125.919 122.820 0.191 0.000 2.350 236 A HA 0.637 4.993 4.320 0.060 0.000 0.324 236 A C -0.939 176.842 177.584 0.328 0.000 1.118 236 A CA -0.816 51.371 52.037 0.251 0.000 0.783 236 A CB 1.631 20.802 19.000 0.284 0.000 1.236 236 A HN 0.433 nan 8.150 nan 0.000 0.457 237 V N 3.335 123.425 119.914 0.293 0.000 2.823 237 V HA 0.827 4.983 4.120 0.060 0.000 0.312 237 V C -1.294 174.902 176.094 0.169 0.000 1.072 237 V CA -0.509 61.939 62.300 0.246 0.000 0.937 237 V CB 1.740 33.650 31.823 0.145 0.000 1.013 237 V HN 1.280 nan 8.190 nan 0.000 0.430 238 L N 2.612 123.892 121.223 0.095 0.000 2.403 238 L HA 0.760 5.136 4.340 0.060 0.000 0.253 238 L C -0.686 176.209 176.870 0.041 0.000 1.045 238 L CA -0.637 54.199 54.840 -0.007 0.000 0.845 238 L CB 1.735 43.666 42.059 -0.212 0.000 1.447 238 L HN 0.703 nan 8.230 nan 0.000 0.411 239 E N 0.790 121.024 120.200 0.056 0.000 2.166 239 E HA 0.337 4.723 4.350 0.060 0.000 0.275 239 E C -2.011 174.695 176.600 0.176 0.000 0.941 239 E CA -0.712 55.737 56.400 0.082 0.000 0.784 239 E CB 1.445 31.164 29.700 0.031 0.000 1.115 239 E HN 0.701 nan 8.360 nan 0.000 0.399 240 W N 5.565 126.845 121.300 -0.034 0.000 2.884 240 W HA 0.192 4.888 4.660 0.059 0.000 0.336 240 W C -0.979 175.531 176.519 -0.015 0.000 1.038 240 W CA -0.505 56.827 57.345 -0.022 0.000 1.247 240 W CB 0.947 30.398 29.460 -0.015 0.000 1.351 240 W HN 0.820 nan 8.180 nan 0.000 0.446 241 E N 3.362 123.293 120.200 -0.448 0.000 2.269 241 E HA -0.224 4.162 4.350 0.060 0.000 0.223 241 E C 1.034 177.574 176.600 -0.100 0.000 1.244 241 E CA 1.175 57.387 56.400 -0.313 0.000 0.713 241 E CB -1.272 28.230 29.700 -0.331 0.000 1.178 241 E HN 0.981 nan 8.360 nan 0.000 0.370 242 G N -0.111 108.643 108.800 -0.076 0.000 2.162 242 G HA2 -0.361 3.635 3.960 0.060 0.000 0.260 242 G HA3 -0.361 3.635 3.960 0.060 0.000 0.260 242 G C 0.113 175.008 174.900 -0.009 0.000 0.976 242 G CA 0.966 46.042 45.100 -0.040 0.000 0.655 242 G HN 0.320 nan 8.290 nan 0.000 0.533 243 K N -0.647 119.770 120.400 0.029 0.000 2.395 243 K HA 0.736 5.092 4.320 0.060 0.000 0.247 243 K C -0.066 176.560 176.600 0.042 0.000 0.973 243 K CA -1.042 55.266 56.287 0.035 0.000 0.828 243 K CB 1.925 34.466 32.500 0.069 0.000 1.272 243 K HN 0.084 nan 8.250 nan 0.000 0.439 244 L N 2.785 124.001 121.223 -0.011 0.000 2.292 244 L HA 0.458 4.834 4.340 0.060 0.000 0.284 244 L C -0.271 176.587 176.870 -0.019 0.000 1.065 244 L CA -0.632 54.194 54.840 -0.024 0.000 0.806 244 L CB 0.569 42.569 42.059 -0.098 0.000 1.175 244 L HN 0.384 nan 8.230 nan 0.000 0.431 245 I N 4.633 125.241 120.570 0.064 0.000 2.362 245 I HA 0.362 4.568 4.170 0.060 0.000 0.289 245 I C -0.533 175.696 176.117 0.187 0.000 0.994 245 I CA -0.448 60.929 61.300 0.128 0.000 1.158 245 I CB 1.839 39.981 38.000 0.237 0.000 1.315 245 I HN 0.448 nan 8.210 nan 0.000 0.451 246 I N 6.243 126.844 120.570 0.051 0.000 2.330 246 I HA 0.269 4.475 4.170 0.060 0.000 0.289 246 I C 0.034 176.207 176.117 0.094 0.000 1.001 246 I CA -0.238 61.092 61.300 0.050 0.000 1.193 246 I CB 1.031 38.902 38.000 -0.214 0.000 1.345 246 I HN 0.476 nan 8.210 nan 0.000 0.461 247 N N 6.738 125.462 118.700 0.039 0.000 2.444 247 N HA 0.303 5.079 4.740 0.060 0.000 0.262 247 N C -1.234 174.295 175.510 0.032 0.000 0.974 247 N CA -0.352 52.614 53.050 -0.141 0.000 0.933 247 N CB 0.992 39.044 38.487 -0.724 0.000 1.137 247 N HN 0.524 nan 8.380 nan 0.000 0.498 248 N N 2.036 120.800 118.700 0.106 0.000 2.405 248 N HA 0.196 4.972 4.740 0.060 0.000 0.299 248 N C -0.121 175.478 175.510 0.149 0.000 1.075 248 N CA -0.457 52.696 53.050 0.171 0.000 0.884 248 N CB 2.213 40.859 38.487 0.264 0.000 1.194 248 N HN 0.450 nan 8.380 nan 0.000 0.491 249 R N 1.177 121.765 120.500 0.146 0.000 2.491 249 R HA 0.271 4.647 4.340 0.060 0.000 0.283 249 R C -1.115 175.277 176.300 0.153 0.000 1.072 249 R CA -0.046 56.139 56.100 0.140 0.000 1.048 249 R CB 0.423 30.785 30.300 0.104 0.000 0.983 249 R HN 0.262 nan 8.270 nan 0.000 0.450 250 V N 4.984 124.982 119.914 0.140 0.000 2.498 250 V HA 0.112 4.268 4.120 0.060 0.000 0.283 250 V C -0.975 175.186 176.094 0.112 0.000 1.015 250 V CA -0.976 61.402 62.300 0.130 0.000 0.867 250 V CB 1.482 33.373 31.823 0.113 0.000 1.025 250 V HN 0.830 nan 8.190 nan 0.000 0.441 251 D N 3.651 124.123 120.400 0.120 0.000 2.425 251 D HA 0.383 5.059 4.640 0.060 0.000 0.247 251 D C 1.314 177.666 176.300 0.088 0.000 1.147 251 D CA 1.683 55.750 54.000 0.110 0.000 0.879 251 D CB 1.555 42.425 40.800 0.116 0.000 1.179 251 D HN 0.972 nan 8.370 nan 0.000 0.456 252 G N 2.443 111.288 108.800 0.074 0.000 2.159 252 G HA2 -0.306 3.690 3.960 0.060 0.000 0.256 252 G HA3 -0.306 3.690 3.960 0.060 0.000 0.256 252 G C 0.439 175.358 174.900 0.033 0.000 0.977 252 G CA 0.446 45.578 45.100 0.054 0.000 0.652 252 G HN 0.664 nan 8.290 nan 0.000 0.531 253 N N -1.869 116.842 118.700 0.019 0.000 3.106 253 N HA 0.500 5.276 4.740 0.060 0.000 0.253 253 N C -0.035 175.415 175.510 -0.100 0.000 1.506 253 N CA -1.159 51.873 53.050 -0.030 0.000 0.876 253 N CB 0.920 39.414 38.487 0.011 0.000 1.452 253 N HN 0.188 nan 8.380 nan 0.000 0.542 254 R N 0.935 121.263 120.500 -0.286 0.000 2.738 254 R HA 0.246 4.621 4.340 0.060 0.000 0.268 254 R C -0.217 175.915 176.300 -0.279 0.000 1.062 254 R CA -0.045 55.790 56.100 -0.442 0.000 1.158 254 R CB 0.400 30.135 30.300 -0.943 0.000 1.046 254 R HN 0.387 nan 8.270 nan 0.000 0.493 255 R N 1.746 122.158 120.500 -0.147 0.000 2.347 255 R HA 0.133 4.509 4.340 0.060 0.000 0.304 255 R C -0.229 176.109 176.300 0.064 0.000 1.072 255 R CA -0.148 55.954 56.100 0.003 0.000 0.980 255 R CB 0.319 30.639 30.300 0.033 0.000 0.986 255 R HN 0.314 nan 8.270 nan 0.000 0.448 256 L N 3.603 124.889 121.223 0.106 0.000 2.326 256 L HA 0.345 4.721 4.340 0.060 0.000 0.278 256 L C -0.271 176.562 176.870 -0.061 0.000 1.092 256 L CA -0.638 54.216 54.840 0.023 0.000 0.810 256 L CB 1.370 43.464 42.059 0.059 0.000 1.153 256 L HN 0.292 nan 8.230 nan 0.000 0.439 257 V N 3.148 122.922 119.914 -0.234 0.000 2.604 257 V HA 0.471 4.627 4.120 0.060 0.000 0.305 257 V C -0.900 174.997 176.094 -0.328 0.000 1.043 257 V CA -0.700 61.497 62.300 -0.172 0.000 0.888 257 V CB 1.758 33.494 31.823 -0.144 0.000 0.995 257 V HN 0.425 nan 8.190 nan 0.000 0.429 258 Y N 1.276 121.558 120.300 -0.031 0.000 2.562 258 Y HA 0.635 5.222 4.550 0.062 0.000 0.343 258 Y C 0.234 176.051 175.900 -0.138 0.000 1.025 258 Y CA -0.913 57.156 58.100 -0.052 0.000 1.082 258 Y CB 1.942 40.405 38.460 0.005 0.000 1.264 258 Y HN 0.555 nan 8.280 nan 0.000 0.478 259 E N 0.484 120.718 120.200 0.057 0.000 2.238 259 E HA 0.584 4.970 4.350 0.060 0.000 0.267 259 E C -1.331 175.225 176.600 -0.073 0.000 0.887 259 E CA -0.912 55.476 56.400 -0.020 0.000 0.769 259 E CB 2.323 32.038 29.700 0.024 0.000 1.187 259 E HN 0.385 nan 8.360 nan 0.000 0.416 260 S N 0.806 116.428 115.700 -0.129 0.000 2.614 260 S HA 0.246 4.752 4.470 0.060 0.000 0.288 260 S C -0.221 174.353 174.600 -0.043 0.000 1.137 260 S CA -0.569 57.570 58.200 -0.102 0.000 0.992 260 S CB 1.322 64.376 63.200 -0.243 0.000 1.026 260 S HN 0.370 nan 8.310 nan 0.000 0.486 261 S N 2.555 118.255 115.700 -0.001 0.000 2.556 261 S HA 0.108 4.614 4.470 0.060 0.000 0.216 261 S C -0.104 174.490 174.600 -0.009 0.000 0.970 261 S CA -0.038 58.162 58.200 -0.000 0.000 0.912 261 S CB -0.115 63.094 63.200 0.015 0.000 0.790 261 S HN 0.863 nan 8.310 nan 0.000 0.504 262 D N -0.111 120.286 120.400 -0.006 0.000 2.957 262 D HA 0.345 5.021 4.640 0.060 0.000 0.352 262 D C 0.248 176.520 176.300 -0.047 0.000 1.352 262 D CA -0.698 53.294 54.000 -0.013 0.000 0.831 262 D CB -0.147 40.667 40.800 0.022 0.000 1.147 262 D HN -0.057 nan 8.370 nan 0.000 0.467 263 M N 1.103 120.642 119.600 -0.103 0.000 2.393 263 M HA -0.143 4.373 4.480 0.060 0.000 0.201 263 M C 1.013 177.237 176.300 -0.126 0.000 0.403 263 M CA 1.096 56.266 55.300 -0.216 0.000 0.471 263 M CB -1.620 30.726 32.600 -0.423 0.000 1.669 263 M HN 1.016 nan 8.290 nan 0.000 0.864 264 G N -0.677 108.134 108.800 0.019 0.000 2.176 264 G HA2 -0.394 3.602 3.960 0.060 0.000 0.253 264 G HA3 -0.394 3.602 3.960 0.060 0.000 0.253 264 G C 0.621 175.753 174.900 0.387 0.000 0.979 264 G CA 0.834 46.093 45.100 0.265 0.000 0.641 264 G HN 0.757 nan 8.290 nan 0.000 0.530 265 K N 0.694 121.223 120.400 0.214 0.000 2.026 265 K HA 0.011 4.366 4.320 0.060 0.000 0.208 265 K C 1.227 177.944 176.600 0.196 0.000 1.048 265 K CA 1.862 58.258 56.287 0.181 0.000 0.929 265 K CB -0.169 32.402 32.500 0.118 0.000 0.713 265 K HN 0.689 nan 8.250 nan 0.000 0.439 266 T N -1.691 113.006 114.554 0.239 0.000 2.841 266 T HA 0.444 4.830 4.350 0.060 0.000 0.283 266 T C -1.184 173.771 174.700 0.425 0.000 1.000 266 T CA -0.978 61.270 62.100 0.248 0.000 0.977 266 T CB 1.011 69.963 68.868 0.141 0.000 0.979 266 T HN 0.101 nan 8.240 nan 0.000 0.446 267 W N 2.110 123.409 121.300 -0.000 0.000 2.666 267 W HA 0.661 5.358 4.660 0.061 0.000 0.334 267 W C -0.619 175.959 176.519 0.099 0.000 1.051 267 W CA -1.258 56.105 57.345 0.030 0.000 1.224 267 W CB 1.729 31.130 29.460 -0.099 0.000 1.405 267 W HN 0.786 nan 8.180 nan 0.000 0.513 268 V N -0.636 119.490 119.914 0.353 0.000 2.656 268 V HA 0.508 4.664 4.120 0.060 0.000 0.307 268 V C -0.276 175.968 176.094 0.250 0.000 1.051 268 V CA -1.439 61.014 62.300 0.255 0.000 0.893 268 V CB 1.605 33.501 31.823 0.123 0.000 0.999 268 V HN 0.614 nan 8.190 nan 0.000 0.426 269 E N 3.124 123.394 120.200 0.116 0.000 2.414 269 E HA 0.424 4.810 4.350 0.060 0.000 0.263 269 E C 0.628 177.090 176.600 -0.230 0.000 1.000 269 E CA 0.103 56.357 56.400 -0.243 0.000 0.914 269 E CB 1.304 30.788 29.700 -0.359 0.000 0.948 269 E HN 1.149 nan 8.360 nan 0.000 0.444 270 A N 6.322 128.987 122.820 -0.258 0.000 3.077 270 A HA 0.105 4.461 4.320 0.060 0.000 0.255 270 A C 1.082 178.530 177.584 -0.226 0.000 1.728 270 A CA -0.136 51.791 52.037 -0.183 0.000 1.383 270 A CB -0.560 18.361 19.000 -0.131 0.000 1.097 270 A HN 0.791 nan 8.150 nan 0.000 0.634 271 L N -0.124 120.894 121.223 -0.343 0.000 2.131 271 L HA -0.120 4.256 4.340 0.060 0.000 0.210 271 L C 2.406 179.180 176.870 -0.160 0.000 1.092 271 L CA 1.363 55.946 54.840 -0.428 0.000 0.759 271 L CB -0.142 41.323 42.059 -0.991 0.000 0.903 271 L HN 0.634 nan 8.230 nan 0.000 0.435 272 G N -1.706 107.076 108.800 -0.029 0.000 3.042 272 G HA2 0.042 4.038 3.960 0.060 0.000 0.212 272 G HA3 0.042 4.038 3.960 0.060 0.000 0.212 272 G C 1.130 176.063 174.900 0.055 0.000 1.166 272 G CA 0.873 46.091 45.100 0.198 0.000 0.767 272 G HN 0.447 nan 8.290 nan 0.000 0.546 273 T N -2.741 111.804 114.554 -0.014 0.000 3.464 273 T HA 0.211 4.597 4.350 0.060 0.000 0.222 273 T C 1.719 176.356 174.700 -0.106 0.000 0.982 273 T CA -0.093 61.960 62.100 -0.079 0.000 1.132 273 T CB 0.070 68.868 68.868 -0.117 0.000 1.226 273 T HN -0.014 nan 8.240 nan 0.000 0.346 274 L N 0.988 122.122 121.223 -0.148 0.000 2.749 274 L HA 0.448 4.824 4.340 0.060 0.000 0.242 274 L C 1.095 177.820 176.870 -0.243 0.000 1.103 274 L CA -0.218 54.482 54.840 -0.232 0.000 0.906 274 L CB 0.603 42.584 42.059 -0.131 0.000 1.228 274 L HN 0.273 nan 8.230 nan 0.000 0.517 275 S N -0.296 115.288 115.700 -0.193 0.000 2.549 275 S HA 0.066 4.572 4.470 0.060 0.000 0.283 275 S C 0.921 175.465 174.600 -0.092 0.000 1.320 275 S CA 0.236 58.331 58.200 -0.176 0.000 1.058 275 S CB -0.213 62.826 63.200 -0.268 0.000 0.882 275 S HN 0.517 nan 8.310 nan 0.000 0.498 276 H N 0.541 119.477 119.070 -0.224 0.000 3.395 276 H HA -0.174 4.417 4.556 0.059 0.000 0.222 276 H C 1.045 176.196 175.328 -0.295 0.000 1.099 276 H CA 0.657 56.580 56.048 -0.209 0.000 1.182 276 H CB -1.662 27.998 29.762 -0.169 0.000 1.188 276 H HN 0.422 nan 8.280 nan 0.000 0.317 277 V N -0.311 119.389 119.914 -0.358 0.000 2.307 277 V HA -0.164 3.991 4.120 0.060 0.000 0.245 277 V C 1.446 177.094 176.094 -0.742 0.000 1.045 277 V CA 1.726 63.617 62.300 -0.683 0.000 1.024 277 V CB -0.077 31.021 31.823 -1.208 0.000 0.651 277 V HN 0.292 nan 8.190 nan 0.000 0.449 278 W N -0.862 120.172 121.300 -0.442 0.000 2.509 278 W HA 0.624 5.320 4.660 0.060 0.000 0.351 278 W C 0.267 176.553 176.519 -0.387 0.000 1.107 278 W CA -0.100 56.948 57.345 -0.495 0.000 1.264 278 W CB 1.170 30.256 29.460 -0.623 0.000 1.312 278 W HN -0.019 nan 8.180 nan 0.000 0.608 279 T N -0.242 114.224 114.554 -0.147 0.000 2.731 279 T HA 0.116 4.502 4.350 0.060 0.000 0.300 279 T C 0.835 175.429 174.700 -0.176 0.000 1.283 279 T CA -0.566 61.438 62.100 -0.160 0.000 1.005 279 T CB 0.815 69.592 68.868 -0.151 0.000 1.420 279 T HN 0.508 nan 8.240 nan 0.000 0.503 280 N N 0.584 119.267 118.700 -0.028 0.000 2.424 280 N HA 0.110 4.886 4.740 0.060 0.000 0.178 280 N C 0.333 175.916 175.510 0.121 0.000 1.060 280 N CA 0.331 53.451 53.050 0.117 0.000 0.901 280 N CB 0.249 38.810 38.487 0.125 0.000 0.979 280 N HN 0.688 nan 8.380 nan 0.000 0.451 281 S N -1.468 114.261 115.700 0.049 0.000 2.656 281 S HA 0.246 4.752 4.470 0.060 0.000 0.265 281 S C -2.811 171.796 174.600 0.011 0.000 1.110 281 S CA -0.872 57.356 58.200 0.046 0.000 0.821 281 S CB 1.616 64.841 63.200 0.043 0.000 1.099 281 S HN -0.290 nan 8.310 nan 0.000 0.471 282 P HA -0.069 nan 4.420 nan 0.000 0.216 282 P C 1.417 178.706 177.300 -0.018 0.000 1.150 282 P CA 2.415 65.510 63.100 -0.007 0.000 0.843 282 P CB -0.303 31.395 31.700 -0.004 0.000 0.787 283 T N -6.588 107.960 114.554 -0.010 0.000 3.086 283 T HA 0.187 4.573 4.350 0.060 0.000 0.250 283 T C 1.060 175.749 174.700 -0.018 0.000 1.074 283 T CA 0.346 62.437 62.100 -0.014 0.000 0.988 283 T CB -0.740 68.125 68.868 -0.005 0.000 0.988 283 T HN -0.086 nan 8.240 nan 0.000 0.530 284 S N 1.952 117.640 115.700 -0.020 0.000 3.146 284 S HA -0.187 4.319 4.470 0.060 0.000 0.285 284 S C 0.829 175.425 174.600 -0.008 0.000 1.293 284 S CA 1.111 59.293 58.200 -0.030 0.000 1.137 284 S CB -1.850 61.309 63.200 -0.069 0.000 1.357 284 S HN 0.949 nan 8.310 nan 0.000 0.678 285 N N 0.403 119.109 118.700 0.009 0.000 2.275 285 N HA 0.124 4.900 4.740 0.060 0.000 0.236 285 N C -0.112 175.422 175.510 0.041 0.000 1.154 285 N CA -0.334 52.730 53.050 0.023 0.000 0.866 285 N CB 0.278 38.777 38.487 0.019 0.000 1.093 285 N HN 0.351 nan 8.380 nan 0.000 0.515 286 Q N 0.154 119.984 119.800 0.050 0.000 2.306 286 Q HA 0.203 4.579 4.340 0.060 0.000 0.269 286 Q C -0.379 175.680 176.000 0.098 0.000 1.053 286 Q CA -0.647 55.200 55.803 0.073 0.000 0.879 286 Q CB 1.488 30.267 28.738 0.068 0.000 1.344 286 Q HN 0.390 nan 8.270 nan 0.000 0.464 287 Q N 1.190 121.065 119.800 0.125 0.000 2.315 287 Q HA -0.074 4.302 4.340 0.060 0.000 0.289 287 Q C -0.575 175.518 176.000 0.155 0.000 1.044 287 Q CA 0.381 56.274 55.803 0.150 0.000 0.920 287 Q CB 0.597 29.453 28.738 0.197 0.000 1.214 287 Q HN 0.410 nan 8.270 nan 0.000 0.392 288 D N 1.581 122.074 120.400 0.154 0.000 2.511 288 D HA 0.425 5.101 4.640 0.060 0.000 0.276 288 D C -1.286 175.089 176.300 0.125 0.000 1.220 288 D CA -0.599 53.506 54.000 0.174 0.000 1.077 288 D CB 1.304 42.209 40.800 0.174 0.000 1.126 288 D HN 0.606 nan 8.370 nan 0.000 0.583 289 C N 0.593 119.914 119.300 0.035 0.000 3.086 289 C HA 0.361 4.857 4.460 0.060 0.000 0.311 289 C C -0.625 174.159 174.990 -0.343 0.000 1.260 289 C CA -0.677 58.234 59.018 -0.178 0.000 1.426 289 C CB 1.433 28.980 27.740 -0.322 0.000 1.826 289 C HN 0.600 nan 8.230 nan 0.000 0.474 290 Q N 2.507 121.915 119.800 -0.653 0.000 2.386 290 Q HA 0.337 4.713 4.340 0.060 0.000 0.282 290 Q C -0.738 174.962 176.000 -0.500 0.000 1.050 290 Q CA 1.054 56.456 55.803 -0.669 0.000 0.918 290 Q CB 0.946 28.897 28.738 -1.312 0.000 1.266 290 Q HN 0.845 nan 8.270 nan 0.000 0.423 291 S N 1.423 116.937 115.700 -0.309 0.000 2.549 291 S HA 0.388 4.894 4.470 0.060 0.000 0.280 291 S C -1.038 173.454 174.600 -0.180 0.000 1.109 291 S CA -0.660 57.330 58.200 -0.352 0.000 0.905 291 S CB 1.708 64.644 63.200 -0.440 0.000 1.081 291 S HN 0.726 nan 8.310 nan 0.000 0.477 292 S N 1.486 117.090 115.700 -0.160 0.000 2.616 292 S HA 0.798 5.304 4.470 0.060 0.000 0.277 292 S C -0.969 173.736 174.600 0.175 0.000 1.234 292 S CA -0.460 57.761 58.200 0.035 0.000 1.028 292 S CB 0.649 63.884 63.200 0.059 0.000 0.988 292 S HN 0.558 nan 8.310 nan 0.000 0.522 293 F N 2.421 122.419 119.950 0.079 0.000 3.051 293 F HA 0.510 5.073 4.527 0.059 0.000 0.363 293 F C -1.110 174.775 175.800 0.142 0.000 1.257 293 F CA -1.040 57.055 58.000 0.157 0.000 1.126 293 F CB 1.371 40.489 39.000 0.196 0.000 1.476 293 F HN 0.755 nan 8.300 nan 0.000 0.576 294 V N 2.428 122.338 119.914 -0.006 0.000 2.841 294 V HA 0.989 5.145 4.120 0.060 0.000 0.310 294 V C -0.645 175.426 176.094 -0.038 0.000 1.090 294 V CA -0.784 61.507 62.300 -0.015 0.000 0.930 294 V CB 1.138 33.020 31.823 0.097 0.000 1.014 294 V HN 1.038 nan 8.190 nan 0.000 0.425 295 A N 3.881 126.697 122.820 -0.006 0.000 2.309 295 A HA 0.931 5.287 4.320 0.060 0.000 0.298 295 A C 0.003 177.664 177.584 0.129 0.000 1.165 295 A CA 0.054 52.141 52.037 0.084 0.000 0.821 295 A CB 0.987 20.063 19.000 0.126 0.000 1.102 295 A HN 2.333 nan 8.150 nan 0.000 0.500 296 V N -0.533 119.473 119.914 0.154 0.000 3.181 296 V HA 0.873 5.029 4.120 0.060 0.000 0.308 296 V C -0.372 175.818 176.094 0.160 0.000 1.214 296 V CA -0.613 61.790 62.300 0.171 0.000 1.053 296 V CB 1.646 33.551 31.823 0.137 0.000 1.069 296 V HN 0.704 nan 8.190 nan 0.000 0.441 297 T N 3.000 117.668 114.554 0.191 0.000 2.791 297 T HA 0.731 5.117 4.350 0.060 0.000 0.288 297 T C -0.507 174.293 174.700 0.167 0.000 0.999 297 T CA 0.018 62.213 62.100 0.157 0.000 0.952 297 T CB 0.591 69.543 68.868 0.139 0.000 0.938 297 T HN 0.632 nan 8.240 nan 0.000 0.444 298 I N 2.594 123.209 120.570 0.075 0.000 2.465 298 I HA 0.329 4.535 4.170 0.060 0.000 0.291 298 I C 0.298 176.444 176.117 0.048 0.000 1.014 298 I CA -0.726 60.587 61.300 0.021 0.000 1.093 298 I CB 1.628 39.550 38.000 -0.130 0.000 1.267 298 I HN 0.551 nan 8.210 nan 0.000 0.431 299 E N 4.449 124.687 120.200 0.063 0.000 2.539 299 E HA -0.259 4.127 4.350 0.060 0.000 0.253 299 E C 1.045 177.681 176.600 0.060 0.000 1.145 299 E CA 1.083 57.512 56.400 0.048 0.000 0.738 299 E CB -1.286 28.423 29.700 0.014 0.000 1.308 299 E HN 1.223 nan 8.360 nan 0.000 0.409 300 G N 0.053 108.897 108.800 0.074 0.000 2.184 300 G HA2 -0.382 3.614 3.960 0.060 0.000 0.264 300 G HA3 -0.382 3.614 3.960 0.060 0.000 0.264 300 G C 0.226 175.169 174.900 0.073 0.000 0.975 300 G CA 0.980 46.120 45.100 0.067 0.000 0.642 300 G HN 0.361 nan 8.290 nan 0.000 0.536 301 K N -0.056 120.400 120.400 0.093 0.000 2.244 301 K HA 0.649 5.005 4.320 0.060 0.000 0.260 301 K C 0.248 176.934 176.600 0.144 0.000 0.951 301 K CA -1.159 55.201 56.287 0.122 0.000 0.826 301 K CB 0.861 33.464 32.500 0.172 0.000 1.108 301 K HN 0.087 nan 8.250 nan 0.000 0.433 302 R N 2.578 123.156 120.500 0.130 0.000 2.389 302 R HA 0.255 4.631 4.340 0.060 0.000 0.295 302 R C -0.814 175.735 176.300 0.415 0.000 1.075 302 R CA -0.143 56.058 56.100 0.168 0.000 1.005 302 R CB 0.622 30.892 30.300 -0.049 0.000 0.987 302 R HN 0.465 nan 8.270 nan 0.000 0.452 303 V N 0.859 121.031 119.914 0.431 0.000 3.181 303 V HA 0.624 4.780 4.120 0.060 0.000 0.308 303 V C -0.623 175.661 176.094 0.318 0.000 1.214 303 V CA -1.231 61.337 62.300 0.448 0.000 1.053 303 V CB 2.388 34.413 31.823 0.337 0.000 1.069 303 V HN 0.674 nan 8.190 nan 0.000 0.441 304 M N 2.349 122.046 119.600 0.162 0.000 2.364 304 M HA 0.649 5.165 4.480 0.060 0.000 0.334 304 M C -1.158 175.250 176.300 0.181 0.000 1.107 304 M CA -0.410 54.923 55.300 0.053 0.000 0.988 304 M CB 1.958 34.473 32.600 -0.142 0.000 1.673 304 M HN 0.539 nan 8.290 nan 0.000 0.441 305 L N 2.739 124.066 121.223 0.173 0.000 2.317 305 L HA 0.672 5.048 4.340 0.060 0.000 0.281 305 L C -1.222 175.879 176.870 0.385 0.000 1.024 305 L CA -0.592 54.405 54.840 0.262 0.000 0.810 305 L CB 1.512 43.676 42.059 0.174 0.000 1.240 305 L HN 0.587 nan 8.230 nan 0.000 0.427 306 F N 1.903 121.988 119.950 0.225 0.000 2.561 306 F HA 0.569 5.131 4.527 0.059 0.000 0.313 306 F C -0.320 175.568 175.800 0.148 0.000 1.126 306 F CA -0.367 57.703 58.000 0.116 0.000 0.918 306 F CB 1.977 40.816 39.000 -0.268 0.000 1.199 306 F HN 0.465 nan 8.300 nan 0.000 0.444 307 T N 2.084 116.305 114.554 -0.556 0.000 2.829 307 T HA 0.627 5.013 4.350 0.060 0.000 0.280 307 T C -1.370 172.995 174.700 -0.558 0.000 0.999 307 T CA -0.607 61.290 62.100 -0.338 0.000 0.983 307 T CB 1.603 70.373 68.868 -0.164 0.000 0.968 307 T HN 0.911 nan 8.240 nan 0.000 0.446 308 H N 1.276 120.218 119.070 -0.214 0.000 3.121 308 H HA 0.443 5.035 4.556 0.060 0.000 0.337 308 H C -3.179 172.220 175.328 0.119 0.000 1.198 308 H CA -1.424 54.545 56.048 -0.132 0.000 1.274 308 H CB 2.167 31.823 29.762 -0.176 0.000 1.954 308 H HN 0.475 nan 8.280 nan 0.000 0.531 309 P HA 0.081 nan 4.420 nan 0.000 0.275 309 P C 0.581 178.131 177.300 0.417 0.000 1.228 309 P CA -0.226 63.010 63.100 0.226 0.000 0.786 309 P CB 1.106 32.849 31.700 0.072 0.000 0.927 310 L N 1.104 122.494 121.223 0.277 0.000 2.240 310 L HA -0.053 4.323 4.340 0.060 0.000 0.211 310 L C 0.656 177.619 176.870 0.155 0.000 1.106 310 L CA 0.737 55.701 54.840 0.207 0.000 0.793 310 L CB -0.748 41.378 42.059 0.112 0.000 0.927 310 L HN 0.524 nan 8.230 nan 0.000 0.446 311 N N 0.059 118.836 118.700 0.129 0.000 2.738 311 N HA -0.209 4.567 4.740 0.060 0.000 0.249 311 N C 0.615 176.151 175.510 0.043 0.000 1.047 311 N CA 0.289 53.388 53.050 0.081 0.000 0.707 311 N CB -1.186 37.370 38.487 0.114 0.000 0.937 311 N HN 0.266 nan 8.380 nan 0.000 0.545 312 L N -0.355 120.887 121.223 0.032 0.000 2.265 312 L HA -0.144 4.232 4.340 0.060 0.000 0.215 312 L C 2.040 178.902 176.870 -0.013 0.000 1.117 312 L CA 1.113 55.960 54.840 0.012 0.000 0.782 312 L CB -0.291 41.776 42.059 0.013 0.000 0.914 312 L HN 0.306 nan 8.230 nan 0.000 0.441 313 K N 0.215 120.595 120.400 -0.034 0.000 2.228 313 K HA 0.160 4.516 4.320 0.060 0.000 0.202 313 K C 1.004 177.548 176.600 -0.093 0.000 1.051 313 K CA 0.493 56.736 56.287 -0.074 0.000 0.960 313 K CB 0.051 32.483 32.500 -0.112 0.000 0.743 313 K HN 0.360 nan 8.250 nan 0.000 0.458 314 G N 1.192 109.951 108.800 -0.068 0.000 2.756 314 G HA2 -0.266 3.730 3.960 0.060 0.000 0.678 314 G HA3 -0.266 3.730 3.960 0.060 0.000 0.678 314 G C -0.436 174.404 174.900 -0.100 0.000 1.349 314 G CA -0.292 44.777 45.100 -0.052 0.000 0.847 314 G HN 0.301 nan 8.290 nan 0.000 0.548 315 R N -2.136 118.359 120.500 -0.009 0.000 3.835 315 R HA -0.318 4.058 4.340 0.060 0.000 0.455 315 R C 1.671 178.050 176.300 0.132 0.000 0.241 315 R CA 3.045 59.193 56.100 0.081 0.000 1.439 315 R CB -1.484 28.836 30.300 0.033 0.000 0.987 315 R HN 1.714 nan 8.270 nan 0.000 0.570 316 W N 0.317 121.675 121.300 0.096 0.000 3.290 316 W HA 0.267 4.963 4.660 0.061 0.000 0.287 316 W C 1.362 177.950 176.519 0.115 0.000 1.288 316 W CA -0.306 57.109 57.345 0.118 0.000 1.725 316 W CB 0.088 29.628 29.460 0.135 0.000 1.103 316 W HN 0.237 nan 8.180 nan 0.000 0.670 317 M N 1.741 121.088 119.600 -0.422 0.000 2.086 317 M HA -0.066 4.450 4.480 0.060 0.000 0.261 317 M C 1.126 177.394 176.300 -0.053 0.000 1.067 317 M CA 1.389 56.495 55.300 -0.323 0.000 1.116 317 M CB -1.777 30.614 32.600 -0.347 0.000 1.348 317 M HN 0.203 nan 8.290 nan 0.000 0.407 318 R N 2.147 122.645 120.500 -0.004 0.000 3.336 318 R HA -0.122 4.254 4.340 0.060 0.000 0.260 318 R C -0.546 175.780 176.300 0.043 0.000 1.032 318 R CA 0.670 56.803 56.100 0.054 0.000 0.693 318 R CB -2.049 28.314 30.300 0.105 0.000 1.134 318 R HN 0.654 nan 8.270 nan 0.000 0.433 319 D N 0.858 121.270 120.400 0.020 0.000 2.360 319 D HA 0.131 4.807 4.640 0.060 0.000 0.242 319 D C -0.004 176.326 176.300 0.051 0.000 1.184 319 D CA -0.451 53.562 54.000 0.021 0.000 0.930 319 D CB 0.482 41.284 40.800 0.003 0.000 1.161 319 D HN 0.243 nan 8.370 nan 0.000 0.447 320 R N -0.977 119.547 120.500 0.041 0.000 3.076 320 R HA -0.198 4.178 4.340 0.060 0.000 0.261 320 R C -0.657 175.714 176.300 0.118 0.000 0.930 320 R CA -0.223 55.922 56.100 0.075 0.000 0.649 320 R CB -1.808 28.567 30.300 0.125 0.000 1.350 320 R HN 0.415 nan 8.270 nan 0.000 0.453 321 L N 2.951 124.165 121.223 -0.016 0.000 2.418 321 L HA 0.149 4.524 4.340 0.060 0.000 0.274 321 L C 0.490 177.296 176.870 -0.108 0.000 1.135 321 L CA 0.624 55.425 54.840 -0.064 0.000 0.870 321 L CB 0.274 42.169 42.059 -0.272 0.000 1.154 321 L HN 0.222 nan 8.230 nan 0.000 0.462 322 H N 4.434 123.404 119.070 -0.167 0.000 2.616 322 H HA 0.473 5.065 4.556 0.060 0.000 0.353 322 H C -1.130 173.988 175.328 -0.350 0.000 1.170 322 H CA -0.934 54.867 56.048 -0.411 0.000 1.212 322 H CB 2.323 31.540 29.762 -0.907 0.000 1.653 322 H HN 0.502 nan 8.280 nan 0.000 0.537 323 L N 2.530 123.565 121.223 -0.313 0.000 2.333 323 L HA 0.331 4.707 4.340 0.060 0.000 0.280 323 L C -1.469 175.374 176.870 -0.044 0.000 1.004 323 L CA -0.449 54.345 54.840 -0.077 0.000 0.820 323 L CB 0.956 42.982 42.059 -0.055 0.000 1.247 323 L HN 0.504 nan 8.230 nan 0.000 0.416 324 W N 6.039 127.486 121.300 0.245 0.000 2.706 324 W HA 0.544 5.240 4.660 0.060 0.000 0.346 324 W C -0.601 176.139 176.519 0.369 0.000 1.071 324 W CA -0.895 56.666 57.345 0.361 0.000 1.206 324 W CB 2.175 31.969 29.460 0.557 0.000 1.413 324 W HN 0.443 nan 8.180 nan 0.000 0.542 325 M N 2.697 122.691 119.600 0.657 0.000 2.259 325 M HA 0.421 4.937 4.480 0.060 0.000 0.304 325 M C -1.130 175.551 176.300 0.636 0.000 1.019 325 M CA 0.132 55.751 55.300 0.530 0.000 0.922 325 M CB 2.151 34.981 32.600 0.384 0.000 1.600 325 M HN 0.321 nan 8.290 nan 0.000 0.433 326 T N 1.456 116.307 114.554 0.495 0.000 2.909 326 T HA 0.424 4.810 4.350 0.060 0.000 0.299 326 T C -0.701 174.115 174.700 0.194 0.000 1.073 326 T CA -0.584 61.742 62.100 0.376 0.000 0.999 326 T CB 1.196 70.222 68.868 0.263 0.000 1.098 326 T HN 0.800 nan 8.240 nan 0.000 0.477 327 D N 2.770 123.206 120.400 0.060 0.000 2.525 327 D HA 0.169 4.845 4.640 0.060 0.000 0.229 327 D C 0.743 176.944 176.300 -0.165 0.000 1.202 327 D CA -0.325 53.706 54.000 0.052 0.000 0.828 327 D CB -0.732 40.178 40.800 0.184 0.000 1.008 327 D HN 0.809 nan 8.370 nan 0.000 0.493 328 N N -0.309 118.177 118.700 -0.357 0.000 2.909 328 N HA -0.257 4.519 4.740 0.060 0.000 0.242 328 N C 0.307 175.678 175.510 -0.231 0.000 0.975 328 N CA 1.143 53.976 53.050 -0.363 0.000 0.921 328 N CB -0.345 37.844 38.487 -0.496 0.000 1.112 328 N HN 0.418 nan 8.380 nan 0.000 0.581 329 Q N -0.647 119.002 119.800 -0.251 0.000 2.361 329 Q HA 0.238 4.613 4.340 0.060 0.000 0.182 329 Q C -0.163 175.649 176.000 -0.315 0.000 0.650 329 Q CA -0.190 55.420 55.803 -0.322 0.000 0.842 329 Q CB 0.411 28.936 28.738 -0.356 0.000 1.211 329 Q HN 0.109 nan 8.270 nan 0.000 0.502 330 R N 0.870 121.118 120.500 -0.420 0.000 2.500 330 R HA 0.521 4.897 4.340 0.060 0.000 0.277 330 R C -0.639 175.641 176.300 -0.032 0.000 1.026 330 R CA 0.128 56.048 56.100 -0.300 0.000 1.058 330 R CB 0.937 30.818 30.300 -0.698 0.000 1.078 330 R HN 0.143 nan 8.270 nan 0.000 0.509 331 I N 2.395 123.087 120.570 0.203 0.000 2.468 331 I HA 0.273 4.478 4.170 0.060 0.000 0.284 331 I C -1.162 175.290 176.117 0.559 0.000 1.038 331 I CA -0.605 60.907 61.300 0.354 0.000 1.083 331 I CB 1.240 39.320 38.000 0.133 0.000 1.223 331 I HN 0.415 nan 8.210 nan 0.000 0.443 332 F N 5.798 126.091 119.950 0.572 0.000 2.436 332 F HA 0.388 4.951 4.527 0.060 0.000 0.340 332 F C 0.184 176.261 175.800 0.460 0.000 1.113 332 F CA -0.534 57.760 58.000 0.490 0.000 1.022 332 F CB 1.111 40.372 39.000 0.435 0.000 1.128 332 F HN 0.361 nan 8.300 nan 0.000 0.466 333 D N 5.326 125.510 120.400 -0.360 0.000 2.393 333 D HA 0.138 4.814 4.640 0.060 0.000 0.232 333 D C 0.921 176.780 176.300 -0.736 0.000 1.192 333 D CA 0.046 53.746 54.000 -0.500 0.000 0.882 333 D CB 1.108 41.704 40.800 -0.340 0.000 1.038 333 D HN 0.393 nan 8.370 nan 0.000 0.499 334 V N 3.356 123.086 119.914 -0.307 0.000 2.490 334 V HA 0.166 4.322 4.120 0.060 0.000 0.250 334 V C 1.519 177.510 176.094 -0.172 0.000 1.061 334 V CA 1.455 63.729 62.300 -0.044 0.000 1.064 334 V CB -1.262 30.617 31.823 0.093 0.000 0.670 334 V HN 0.866 nan 8.190 nan 0.000 0.461 335 G N -0.981 107.630 108.800 -0.315 0.000 2.347 335 G HA2 0.014 4.010 3.960 0.060 0.000 0.341 335 G HA3 0.014 4.010 3.960 0.060 0.000 0.341 335 G C -0.945 173.491 174.900 -0.773 0.000 1.287 335 G CA -0.308 44.560 45.100 -0.387 0.000 0.984 335 G HN 0.234 nan 8.290 nan 0.000 0.526 336 Q N -0.123 119.148 119.800 -0.882 0.000 2.288 336 Q HA 0.554 4.930 4.340 0.060 0.000 0.258 336 Q C 1.359 177.113 176.000 -0.410 0.000 0.957 336 Q CA -0.054 55.222 55.803 -0.879 0.000 0.919 336 Q CB 0.608 28.998 28.738 -0.581 0.000 1.185 336 Q HN 0.809 nan 8.270 nan 0.000 0.408 337 I N 0.024 120.396 120.570 -0.329 0.000 4.070 337 I HA 0.183 4.389 4.170 0.060 0.000 0.328 337 I C 0.537 176.587 176.117 -0.112 0.000 1.298 337 I CA -0.433 60.757 61.300 -0.184 0.000 1.173 337 I CB 0.459 38.372 38.000 -0.145 0.000 1.051 337 I HN 0.375 nan 8.210 nan 0.000 0.409 338 S N 1.715 117.318 115.700 -0.162 0.000 2.661 338 S HA 0.564 5.070 4.470 0.060 0.000 0.265 338 S C -0.116 174.471 174.600 -0.022 0.000 1.225 338 S CA -0.580 57.591 58.200 -0.049 0.000 0.986 338 S CB 1.290 64.445 63.200 -0.076 0.000 1.008 338 S HN 0.240 nan 8.310 nan 0.000 0.565 339 I N 1.649 122.231 120.570 0.021 0.000 2.339 339 I HA 0.532 4.738 4.170 0.060 0.000 0.290 339 I C 1.259 177.375 176.117 -0.002 0.000 0.994 339 I CA -0.062 61.240 61.300 0.004 0.000 1.191 339 I CB 0.561 38.571 38.000 0.016 0.000 1.343 339 I HN 1.133 nan 8.210 nan 0.000 0.458 340 G N 5.861 114.654 108.800 -0.012 0.000 2.596 340 G HA2 -0.352 3.644 3.960 0.060 0.000 0.295 340 G HA3 -0.352 3.644 3.960 0.060 0.000 0.295 340 G C 0.396 175.294 174.900 -0.004 0.000 1.240 340 G CA 0.633 45.729 45.100 -0.008 0.000 0.985 340 G HN 0.877 nan 8.290 nan 0.000 0.555 341 D N 1.755 122.153 120.400 -0.003 0.000 2.395 341 D HA 0.157 4.833 4.640 0.060 0.000 0.226 341 D C 0.959 177.255 176.300 -0.006 0.000 1.146 341 D CA 0.725 54.723 54.000 -0.003 0.000 0.830 341 D CB -0.592 40.204 40.800 -0.007 0.000 0.958 341 D HN 0.977 nan 8.370 nan 0.000 0.501 342 E N 0.326 120.526 120.200 0.000 0.000 2.415 342 E HA 0.014 4.399 4.350 0.060 0.000 0.262 342 E C -0.353 176.250 176.600 0.005 0.000 1.038 342 E CA -0.496 55.905 56.400 0.002 0.000 0.921 342 E CB 0.378 30.089 29.700 0.018 0.000 0.950 342 E HN -0.120 nan 8.360 nan 0.000 0.438 343 N N 1.615 120.311 118.700 -0.008 0.000 2.497 343 N HA 0.022 4.798 4.740 0.060 0.000 0.271 343 N C -0.154 175.384 175.510 0.047 0.000 1.142 343 N CA 0.156 53.205 53.050 -0.001 0.000 0.965 343 N CB 1.527 39.992 38.487 -0.038 0.000 1.077 343 N HN 0.669 nan 8.380 nan 0.000 0.462 344 S N 1.215 116.961 115.700 0.077 0.000 4.311 344 S HA 0.870 5.376 4.470 0.060 0.000 0.200 344 S C 0.720 175.439 174.600 0.198 0.000 1.007 344 S CA 0.333 58.617 58.200 0.140 0.000 1.754 344 S CB 0.668 63.898 63.200 0.050 0.000 0.728 344 S HN 0.663 nan 8.310 nan 0.000 0.760 345 G N -0.338 108.568 108.800 0.177 0.000 2.384 345 G HA2 0.215 4.211 3.960 0.060 0.000 0.150 345 G HA3 0.215 4.211 3.960 0.060 0.000 0.150 345 G C -1.554 173.496 174.900 0.249 0.000 1.269 345 G CA -0.579 44.676 45.100 0.257 0.000 1.094 345 G HN 0.562 nan 8.290 nan 0.000 0.467 346 Y N 1.790 122.113 120.300 0.039 0.000 2.550 346 Y HA 0.493 5.078 4.550 0.059 0.000 0.343 346 Y C 1.320 177.242 175.900 0.037 0.000 1.245 346 Y CA 0.056 58.156 58.100 -0.000 0.000 1.462 346 Y CB 1.011 39.464 38.460 -0.011 0.000 1.340 346 Y HN 0.946 nan 8.280 nan 0.000 0.604 347 S N -0.288 115.492 115.700 0.132 0.000 2.596 347 S HA 0.779 5.285 4.470 0.060 0.000 0.270 347 S C -0.944 173.717 174.600 0.102 0.000 1.155 347 S CA -0.914 57.362 58.200 0.127 0.000 0.827 347 S CB 2.134 65.355 63.200 0.036 0.000 1.130 347 S HN 0.588 nan 8.310 nan 0.000 0.467 348 S N -0.125 115.658 115.700 0.138 0.000 2.536 348 S HA 0.731 5.237 4.470 0.060 0.000 0.271 348 S C -1.700 173.002 174.600 0.170 0.000 1.134 348 S CA -0.497 57.789 58.200 0.143 0.000 0.897 348 S CB 1.588 64.882 63.200 0.156 0.000 1.094 348 S HN 1.615 nan 8.310 nan 0.000 0.473 349 V N 5.222 125.237 119.914 0.168 0.000 2.735 349 V HA 0.920 5.076 4.120 0.060 0.000 0.310 349 V C -1.603 174.630 176.094 0.232 0.000 1.061 349 V CA -0.697 61.719 62.300 0.193 0.000 0.913 349 V CB 1.731 33.644 31.823 0.150 0.000 1.005 349 V HN 0.931 nan 8.190 nan 0.000 0.428 350 L N 6.598 128.001 121.223 0.300 0.000 2.436 350 L HA 0.635 5.011 4.340 0.060 0.000 0.268 350 L C -2.011 175.120 176.870 0.435 0.000 0.974 350 L CA -0.393 54.650 54.840 0.339 0.000 0.826 350 L CB 1.962 44.226 42.059 0.342 0.000 1.291 350 L HN 0.745 nan 8.230 nan 0.000 0.406 351 Y N 4.984 125.412 120.300 0.213 0.000 2.356 351 Y HA 0.617 5.203 4.550 0.060 0.000 0.334 351 Y C -0.975 175.040 175.900 0.191 0.000 0.958 351 Y CA -0.705 57.502 58.100 0.177 0.000 1.196 351 Y CB 0.901 39.431 38.460 0.117 0.000 1.137 351 Y HN 0.735 nan 8.280 nan 0.000 0.485 352 K N 5.446 125.850 120.400 0.007 0.000 2.541 352 K HA 0.287 4.643 4.320 0.060 0.000 0.250 352 K C -1.071 175.469 176.600 -0.099 0.000 0.950 352 K CA -0.437 55.841 56.287 -0.016 0.000 0.805 352 K CB 0.924 33.516 32.500 0.153 0.000 1.166 352 K HN 0.728 nan 8.250 nan 0.000 0.430 353 D N 3.929 124.221 120.400 -0.179 0.000 2.689 353 D HA -0.200 4.476 4.640 0.060 0.000 0.237 353 D C -0.322 175.874 176.300 -0.174 0.000 1.148 353 D CA 1.817 55.738 54.000 -0.133 0.000 0.656 353 D CB -0.786 39.996 40.800 -0.030 0.000 1.050 353 D HN 1.009 nan 8.370 nan 0.000 0.426 354 D N -0.852 119.303 120.400 -0.408 0.000 2.911 354 D HA -0.223 4.453 4.640 0.060 0.000 0.227 354 D C -0.604 175.661 176.300 -0.057 0.000 1.164 354 D CA 1.360 55.202 54.000 -0.263 0.000 0.782 354 D CB -0.453 40.323 40.800 -0.040 0.000 1.094 354 D HN 0.539 nan 8.370 nan 0.000 0.425 355 K N -0.306 120.024 120.400 -0.117 0.000 2.371 355 K HA 0.589 4.945 4.320 0.060 0.000 0.251 355 K C -0.954 175.584 176.600 -0.103 0.000 0.934 355 K CA -1.123 55.105 56.287 -0.098 0.000 0.798 355 K CB 2.040 34.464 32.500 -0.127 0.000 1.204 355 K HN 0.016 nan 8.250 nan 0.000 0.427 356 L N 3.358 124.451 121.223 -0.217 0.000 2.307 356 L HA 0.508 4.884 4.340 0.060 0.000 0.284 356 L C -1.651 174.967 176.870 -0.420 0.000 1.023 356 L CA -0.149 54.638 54.840 -0.089 0.000 0.810 356 L CB 0.631 42.697 42.059 0.012 0.000 1.231 356 L HN 0.519 nan 8.230 nan 0.000 0.423 357 Y N 1.899 122.271 120.300 0.120 0.000 2.581 357 Y HA 0.721 5.307 4.550 0.060 0.000 0.345 357 Y C -0.097 175.857 175.900 0.090 0.000 1.036 357 Y CA -0.809 57.316 58.100 0.042 0.000 1.042 357 Y CB 2.307 40.834 38.460 0.111 0.000 1.289 357 Y HN 0.535 nan 8.280 nan 0.000 0.471 358 S N 1.515 117.352 115.700 0.229 0.000 2.569 358 S HA 0.689 5.195 4.470 0.060 0.000 0.280 358 S C -2.105 172.653 174.600 0.264 0.000 1.111 358 S CA -0.662 57.682 58.200 0.240 0.000 0.887 358 S CB 1.076 64.406 63.200 0.218 0.000 1.095 358 S HN 0.661 nan 8.310 nan 0.000 0.476 359 L N 4.832 126.217 121.223 0.269 0.000 2.372 359 L HA 0.647 5.023 4.340 0.060 0.000 0.274 359 L C -1.270 175.719 176.870 0.198 0.000 0.988 359 L CA -0.378 54.594 54.840 0.219 0.000 0.833 359 L CB 1.081 43.270 42.059 0.216 0.000 1.236 359 L HN 1.105 nan 8.230 nan 0.000 0.410 360 H N 1.220 120.350 119.070 0.100 0.000 3.008 360 H HA 0.488 5.080 4.556 0.060 0.000 0.354 360 H C -1.292 174.088 175.328 0.086 0.000 1.252 360 H CA -0.966 55.132 56.048 0.083 0.000 1.117 360 H CB 1.045 30.848 29.762 0.069 0.000 1.857 360 H HN 0.411 nan 8.280 nan 0.000 0.547 361 E N 1.258 121.634 120.200 0.294 0.000 2.383 361 E HA 0.329 4.715 4.350 0.060 0.000 0.264 361 E C -0.115 176.661 176.600 0.292 0.000 1.050 361 E CA -0.358 56.193 56.400 0.253 0.000 0.896 361 E CB 1.263 31.147 29.700 0.307 0.000 0.982 361 E HN 0.552 nan 8.360 nan 0.000 0.424 362 I N -0.472 120.200 120.570 0.170 0.000 2.689 362 I HA 0.507 4.713 4.170 0.060 0.000 0.299 362 I C -0.926 175.189 176.117 -0.002 0.000 1.059 362 I CA -0.892 60.471 61.300 0.105 0.000 1.055 362 I CB 2.101 40.135 38.000 0.058 0.000 1.243 362 I HN 0.380 nan 8.210 nan 0.000 0.425 363 N N 3.031 121.668 118.700 -0.105 0.000 2.480 363 N HA 0.468 5.244 4.740 0.060 0.000 0.289 363 N C -1.556 173.822 175.510 -0.219 0.000 1.073 363 N CA -0.268 52.566 53.050 -0.360 0.000 0.885 363 N CB 2.018 40.199 38.487 -0.509 0.000 1.421 363 N HN 0.761 nan 8.380 nan 0.000 0.503 364 T N 2.808 117.240 114.554 -0.204 0.000 2.809 364 T HA 0.307 4.693 4.350 0.060 0.000 0.284 364 T C -0.057 174.578 174.700 -0.110 0.000 0.992 364 T CA -0.435 61.595 62.100 -0.117 0.000 0.957 364 T CB 0.825 69.648 68.868 -0.074 0.000 0.942 364 T HN 0.676 nan 8.240 nan 0.000 0.439 365 N N 2.967 121.634 118.700 -0.056 0.000 2.725 365 N HA -0.161 4.615 4.740 0.060 0.000 0.249 365 N C -0.412 175.086 175.510 -0.020 0.000 1.103 365 N CA 1.188 54.232 53.050 -0.010 0.000 0.707 365 N CB -0.921 37.561 38.487 -0.008 0.000 1.043 365 N HN 0.854 nan 8.380 nan 0.000 0.553 366 D N -2.529 117.820 120.400 -0.085 0.000 2.870 366 D HA -0.159 4.516 4.640 0.060 0.000 0.228 366 D C -0.481 175.793 176.300 -0.043 0.000 1.147 366 D CA 0.935 54.867 54.000 -0.115 0.000 0.757 366 D CB -1.450 39.370 40.800 0.034 0.000 1.091 366 D HN 0.306 nan 8.370 nan 0.000 0.429 367 V N 0.805 120.624 119.914 -0.158 0.000 2.409 367 V HA 0.444 4.600 4.120 0.060 0.000 0.291 367 V C -0.096 175.921 176.094 -0.129 0.000 1.020 367 V CA -0.773 61.497 62.300 -0.050 0.000 0.848 367 V CB 1.306 33.022 31.823 -0.178 0.000 0.990 367 V HN -0.026 nan 8.190 nan 0.000 0.430 368 Y N 1.780 122.073 120.300 -0.010 0.000 2.377 368 Y HA 0.681 5.268 4.550 0.061 0.000 0.339 368 Y C 0.655 176.591 175.900 0.061 0.000 1.011 368 Y CA -0.370 57.741 58.100 0.019 0.000 1.093 368 Y CB 2.268 40.730 38.460 0.004 0.000 1.201 368 Y HN 0.595 nan 8.280 nan 0.000 0.455 369 S N 2.580 118.398 115.700 0.197 0.000 2.689 369 S HA 0.713 5.219 4.470 0.060 0.000 0.306 369 S C -1.066 173.610 174.600 0.127 0.000 1.104 369 S CA -0.881 57.427 58.200 0.181 0.000 0.973 369 S CB 1.126 64.381 63.200 0.091 0.000 1.121 369 S HN 0.451 nan 8.310 nan 0.000 0.523 370 L N 2.210 123.483 121.223 0.083 0.000 2.325 370 L HA 0.588 4.964 4.340 0.060 0.000 0.281 370 L C -0.505 176.361 176.870 -0.007 0.000 1.004 370 L CA -0.963 53.882 54.840 0.008 0.000 0.823 370 L CB 1.529 43.539 42.059 -0.082 0.000 1.236 370 L HN 0.452 nan 8.230 nan 0.000 0.415 371 V N 0.054 119.891 119.914 -0.128 0.000 2.539 371 V HA 0.502 4.658 4.120 0.060 0.000 0.292 371 V C -0.707 175.374 176.094 -0.021 0.000 1.045 371 V CA -0.605 61.624 62.300 -0.119 0.000 0.945 371 V CB 1.637 33.321 31.823 -0.232 0.000 0.993 371 V HN 0.544 nan 8.190 nan 0.000 0.464 372 F N 5.062 124.968 119.950 -0.074 0.000 2.361 372 F HA 0.767 5.330 4.527 0.060 0.000 0.364 372 F C -0.492 175.362 175.800 0.089 0.000 1.117 372 F CA -0.906 57.107 58.000 0.022 0.000 1.071 372 F CB 1.273 40.275 39.000 0.003 0.000 1.188 372 F HN 0.464 nan 8.300 nan 0.000 0.464 373 V N 6.974 126.712 119.914 -0.294 0.000 2.459 373 V HA 0.496 4.652 4.120 0.060 0.000 0.295 373 V C -0.196 175.729 176.094 -0.282 0.000 1.029 373 V CA -0.949 61.223 62.300 -0.214 0.000 0.874 373 V CB 1.757 33.572 31.823 -0.013 0.000 0.985 373 V HN 0.593 nan 8.190 nan 0.000 0.438 374 R N 4.586 124.953 120.500 -0.222 0.000 2.230 374 R HA 0.448 4.824 4.340 0.060 0.000 0.337 374 R C -0.661 175.543 176.300 -0.160 0.000 1.063 374 R CA -0.387 55.589 56.100 -0.206 0.000 0.935 374 R CB 0.643 30.869 30.300 -0.122 0.000 1.121 374 R HN 0.621 nan 8.270 nan 0.000 0.486 375 L N 5.156 126.271 121.223 -0.179 0.000 2.437 375 L HA 0.075 4.450 4.340 0.060 0.000 0.243 375 L C 1.183 177.986 176.870 -0.111 0.000 1.346 375 L CA -0.257 54.516 54.840 -0.112 0.000 1.233 375 L CB -0.065 41.949 42.059 -0.075 0.000 1.436 375 L HN 0.637 nan 8.230 nan 0.000 0.416 376 I N 1.025 121.537 120.570 -0.096 0.000 2.162 376 I HA -0.085 4.121 4.170 0.060 0.000 0.238 376 I C 2.476 178.563 176.117 -0.051 0.000 1.076 376 I CA 1.471 62.727 61.300 -0.074 0.000 1.353 376 I CB -1.354 36.612 38.000 -0.058 0.000 1.063 376 I HN 0.495 nan 8.210 nan 0.000 0.408 377 G N 0.429 109.203 108.800 -0.043 0.000 2.422 377 G HA2 -0.229 3.767 3.960 0.060 0.000 0.218 377 G HA3 -0.229 3.767 3.960 0.060 0.000 0.218 377 G C 1.539 176.421 174.900 -0.031 0.000 1.146 377 G CA 0.617 45.697 45.100 -0.033 0.000 0.769 377 G HN 0.341 nan 8.290 nan 0.000 0.547 378 E N -0.115 120.062 120.200 -0.038 0.000 2.051 378 E HA -0.088 4.298 4.350 0.060 0.000 0.192 378 E C 2.302 178.882 176.600 -0.033 0.000 0.991 378 E CA 0.614 56.996 56.400 -0.029 0.000 0.799 378 E CB -0.413 29.263 29.700 -0.039 0.000 0.748 378 E HN 0.331 nan 8.360 nan 0.000 0.449 379 L N 1.008 122.202 121.223 -0.048 0.000 2.083 379 L HA -0.217 4.158 4.340 0.060 0.000 0.209 379 L C 2.275 179.111 176.870 -0.056 0.000 1.083 379 L CA 1.878 56.684 54.840 -0.058 0.000 0.752 379 L CB -0.546 41.493 42.059 -0.034 0.000 0.899 379 L HN 0.167 nan 8.230 nan 0.000 0.433 380 Q N -1.152 118.622 119.800 -0.043 0.000 2.061 380 Q HA -0.253 4.123 4.340 0.060 0.000 0.204 380 Q C 2.226 178.189 176.000 -0.062 0.000 0.984 380 Q CA 2.165 57.942 55.803 -0.043 0.000 0.846 380 Q CB -0.281 28.438 28.738 -0.031 0.000 0.902 380 Q HN 0.511 nan 8.270 nan 0.000 0.421 381 L N 0.192 121.386 121.223 -0.049 0.000 2.056 381 L HA -0.118 4.258 4.340 0.060 0.000 0.207 381 L C 2.108 178.885 176.870 -0.154 0.000 1.078 381 L CA 1.705 56.510 54.840 -0.057 0.000 0.749 381 L CB -0.390 41.691 42.059 0.037 0.000 0.901 381 L HN 0.327 nan 8.230 nan 0.000 0.433 382 M N -0.753 118.770 119.600 -0.129 0.000 2.108 382 M HA -0.250 4.266 4.480 0.060 0.000 0.261 382 M C 2.207 178.348 176.300 -0.265 0.000 1.066 382 M CA 1.904 57.079 55.300 -0.209 0.000 1.107 382 M CB -0.373 32.146 32.600 -0.135 0.000 1.356 382 M HN 0.134 nan 8.290 nan 0.000 0.406 383 K N -0.568 119.724 120.400 -0.179 0.000 2.057 383 K HA -0.128 4.228 4.320 0.060 0.000 0.207 383 K C 2.288 178.776 176.600 -0.186 0.000 1.049 383 K CA 1.606 57.801 56.287 -0.152 0.000 0.931 383 K CB -0.344 32.106 32.500 -0.082 0.000 0.714 383 K HN 0.220 nan 8.250 nan 0.000 0.440 384 S N 0.642 116.227 115.700 -0.191 0.000 2.359 384 S HA -0.124 4.382 4.470 0.060 0.000 0.224 384 S C 2.007 176.425 174.600 -0.303 0.000 1.035 384 S CA 1.209 59.294 58.200 -0.193 0.000 1.018 384 S CB -0.149 62.958 63.200 -0.155 0.000 0.876 384 S HN 0.081 nan 8.310 nan 0.000 0.448 385 V N 1.297 120.917 119.914 -0.489 0.000 2.358 385 V HA -0.086 4.070 4.120 0.060 0.000 0.246 385 V C 2.471 178.014 176.094 -0.917 0.000 1.047 385 V CA 1.606 63.426 62.300 -0.800 0.000 1.035 385 V CB -0.624 30.441 31.823 -1.263 0.000 0.658 385 V HN 0.415 nan 8.190 nan 0.000 0.452 386 V N -0.099 119.407 119.914 -0.681 0.000 2.343 386 V HA -0.252 3.903 4.120 0.060 0.000 0.247 386 V C 2.613 178.617 176.094 -0.150 0.000 1.051 386 V CA 1.981 64.035 62.300 -0.410 0.000 1.036 386 V CB -0.760 30.939 31.823 -0.207 0.000 0.654 386 V HN 0.477 nan 8.190 nan 0.000 0.451 387 R N -0.480 119.930 120.500 -0.150 0.000 2.081 387 R HA -0.143 4.233 4.340 0.060 0.000 0.235 387 R C 2.417 178.703 176.300 -0.024 0.000 1.131 387 R CA 1.900 57.966 56.100 -0.056 0.000 0.960 387 R CB -0.731 29.531 30.300 -0.063 0.000 0.856 387 R HN 0.488 nan 8.270 nan 0.000 0.436 388 T N 0.142 114.643 114.554 -0.087 0.000 2.684 388 T HA -0.172 4.214 4.350 0.060 0.000 0.267 388 T C 1.311 176.103 174.700 0.153 0.000 1.036 388 T CA 1.333 63.421 62.100 -0.020 0.000 1.148 388 T CB -0.190 68.635 68.868 -0.071 0.000 0.863 388 T HN 0.339 nan 8.240 nan 0.000 0.436 389 W N 1.987 123.318 121.300 0.051 0.000 2.335 389 W HA 0.031 4.727 4.660 0.059 0.000 0.311 389 W C 2.332 178.954 176.519 0.171 0.000 1.213 389 W CA 0.351 57.813 57.345 0.196 0.000 1.274 389 W CB -1.005 28.590 29.460 0.224 0.000 1.148 389 W HN 0.299 nan 8.180 nan 0.000 0.498 390 K N 0.140 120.742 120.400 0.337 0.000 2.026 390 K HA -0.185 4.171 4.320 0.060 0.000 0.208 390 K C 1.815 178.519 176.600 0.173 0.000 1.048 390 K CA 1.820 58.239 56.287 0.221 0.000 0.929 390 K CB -0.402 32.186 32.500 0.146 0.000 0.713 390 K HN 0.223 nan 8.250 nan 0.000 0.439 391 E N 0.505 120.785 120.200 0.133 0.000 2.072 391 E HA -0.210 4.176 4.350 0.060 0.000 0.191 391 E C 2.040 178.719 176.600 0.131 0.000 0.985 391 E CA 1.060 57.521 56.400 0.101 0.000 0.801 391 E CB 0.048 29.777 29.700 0.048 0.000 0.750 391 E HN 0.203 nan 8.360 nan 0.000 0.452 392 E N 1.211 121.480 120.200 0.114 0.000 2.072 392 E HA -0.180 4.206 4.350 0.060 0.000 0.191 392 E C 1.486 178.228 176.600 0.237 0.000 0.985 392 E CA 1.376 57.851 56.400 0.124 0.000 0.801 392 E CB -0.057 29.562 29.700 -0.135 0.000 0.750 392 E HN 0.106 nan 8.360 nan 0.000 0.452 393 D N 0.005 120.568 120.400 0.273 0.000 2.097 393 D HA -0.129 4.547 4.640 0.060 0.000 0.195 393 D C 1.570 177.963 176.300 0.154 0.000 0.989 393 D CA 0.938 55.076 54.000 0.231 0.000 0.827 393 D CB -0.381 40.548 40.800 0.215 0.000 0.966 393 D HN 0.172 nan 8.370 nan 0.000 0.456 394 N N -0.125 118.666 118.700 0.152 0.000 2.166 394 N HA -0.160 4.615 4.740 0.060 0.000 0.186 394 N C 1.707 177.285 175.510 0.113 0.000 1.019 394 N CA 0.851 53.969 53.050 0.113 0.000 0.856 394 N CB -0.509 38.041 38.487 0.107 0.000 0.993 394 N HN 0.400 nan 8.380 nan 0.000 0.426 395 H N 0.929 120.038 119.070 0.066 0.000 2.293 395 H HA 0.068 4.660 4.556 0.060 0.000 0.300 395 H C 2.058 177.420 175.328 0.056 0.000 1.082 395 H CA 1.477 57.559 56.048 0.057 0.000 1.308 395 H CB -0.406 29.393 29.762 0.062 0.000 1.375 395 H HN 0.079 nan 8.280 nan 0.000 0.495 396 L N -0.251 120.945 121.223 -0.046 0.000 2.083 396 L HA -0.111 4.265 4.340 0.060 0.000 0.209 396 L C 2.711 179.524 176.870 -0.095 0.000 1.083 396 L CA 1.043 55.820 54.840 -0.105 0.000 0.752 396 L CB -0.608 41.462 42.059 0.019 0.000 0.899 396 L HN 0.451 nan 8.230 nan 0.000 0.433 397 A N -1.354 121.445 122.820 -0.034 0.000 2.168 397 A HA -0.062 4.294 4.320 0.060 0.000 0.215 397 A C 2.264 179.821 177.584 -0.044 0.000 1.152 397 A CA 1.281 53.302 52.037 -0.025 0.000 0.716 397 A CB -0.228 18.776 19.000 0.007 0.000 0.794 397 A HN 0.354 nan 8.150 nan 0.000 0.465 398 S N -0.486 115.170 115.700 -0.073 0.000 2.535 398 S HA 0.279 4.785 4.470 0.060 0.000 0.214 398 S C 0.525 175.070 174.600 -0.092 0.000 0.980 398 S CA -0.386 57.776 58.200 -0.063 0.000 0.907 398 S CB -0.166 63.014 63.200 -0.034 0.000 0.790 398 S HN 0.502 nan 8.310 nan 0.000 0.510 399 I N 1.709 122.195 120.570 -0.141 0.000 2.618 399 I HA 0.004 4.210 4.170 0.060 0.000 0.284 399 I C 0.453 176.524 176.117 -0.077 0.000 1.146 399 I CA -0.267 60.956 61.300 -0.128 0.000 1.425 399 I CB 0.404 38.311 38.000 -0.155 0.000 1.383 399 I HN 0.162 nan 8.210 nan 0.000 0.562 400 c N 7.765 126.330 118.600 -0.058 0.000 2.345 400 c HA 0.269 4.875 4.570 0.060 0.000 0.349 400 c C 1.125 175.185 174.090 -0.051 0.000 1.130 400 c CA -0.556 55.745 56.329 -0.046 0.000 1.574 400 c CB -1.487 41.002 42.510 -0.034 0.000 2.108 400 c HN 0.869 nan 8.230 nan 0.000 0.516 401 T N 4.792 119.313 114.554 -0.055 0.000 2.849 401 T HA 0.472 4.858 4.350 0.060 0.000 0.284 401 T C -2.678 171.987 174.700 -0.058 0.000 1.004 401 T CA -1.417 60.645 62.100 -0.063 0.000 1.021 401 T CB 0.822 69.649 68.868 -0.067 0.000 1.013 401 T HN 0.479 nan 8.240 nan 0.000 0.527 402 P HA 0.243 nan 4.420 nan 0.000 0.268 402 P C -0.582 176.689 177.300 -0.048 0.000 1.204 402 P CA -0.478 62.585 63.100 -0.061 0.000 0.768 402 P CB 0.340 31.991 31.700 -0.083 0.000 0.842 403 V N 4.580 124.473 119.914 -0.036 0.000 2.555 403 V HA 0.073 4.229 4.120 0.060 0.000 0.286 403 V C 0.615 176.696 176.094 -0.021 0.000 1.044 403 V CA -0.175 62.108 62.300 -0.027 0.000 1.026 403 V CB 1.087 32.898 31.823 -0.021 0.000 0.981 403 V HN 0.252 nan 8.190 nan 0.000 0.480 404 V N 6.606 126.510 119.914 -0.016 0.000 2.539 404 V HA 0.321 4.477 4.120 0.060 0.000 0.292 404 V C -1.927 174.165 176.094 -0.003 0.000 1.045 404 V CA -1.680 60.617 62.300 -0.006 0.000 0.945 404 V CB 1.285 33.107 31.823 -0.001 0.000 0.993 404 V HN 0.837 nan 8.190 nan 0.000 0.464 405 P HA 0.399 nan 4.420 nan 0.000 0.263 405 P C -0.448 176.853 177.300 0.002 0.000 1.195 405 P CA 0.383 63.485 63.100 0.003 0.000 0.762 405 P CB 0.507 32.212 31.700 0.008 0.000 0.799 414 c N 1.041 119.628 118.600 -0.022 0.000 2.719 414 c HA 0.886 5.492 4.570 0.060 0.000 0.327 414 c C 1.210 175.283 174.090 -0.028 0.000 1.238 414 c CA -0.136 56.176 56.329 -0.027 0.000 1.727 414 c CB 1.089 43.581 42.510 -0.029 0.000 2.256 414 c HN 0.622 nan 8.230 nan 0.000 0.489 415 G N 0.181 108.961 108.800 -0.034 0.000 2.535 415 G HA2 0.548 4.544 3.960 0.060 0.000 0.282 415 G HA3 0.548 4.544 3.960 0.060 0.000 0.282 415 G C 0.029 174.907 174.900 -0.036 0.000 1.350 415 G CA 0.076 45.155 45.100 -0.035 0.000 1.039 415 G HN 1.251 nan 8.290 nan 0.000 0.509 416 A N -0.950 121.848 122.820 -0.038 0.000 2.520 416 A HA 0.534 4.890 4.320 0.060 0.000 0.235 416 A C 1.010 178.568 177.584 -0.044 0.000 1.065 416 A CA 0.502 52.515 52.037 -0.040 0.000 0.764 416 A CB -0.331 18.643 19.000 -0.044 0.000 1.002 416 A HN 1.803 nan 8.150 nan 0.000 0.502 417 A N 1.553 124.349 122.820 -0.041 0.000 2.445 417 A HA 0.462 4.818 4.320 0.060 0.000 0.242 417 A C 0.416 177.974 177.584 -0.044 0.000 1.075 417 A CA -0.319 51.694 52.037 -0.041 0.000 0.777 417 A CB -0.143 18.838 19.000 -0.032 0.000 1.013 417 A HN 1.243 nan 8.150 nan 0.000 0.493 418 V N 4.035 123.923 119.914 -0.044 0.000 2.557 418 V HA 0.067 4.223 4.120 0.060 0.000 0.301 418 V C -1.899 174.187 176.094 -0.013 0.000 1.026 418 V CA -0.478 61.801 62.300 -0.035 0.000 1.137 418 V CB 0.130 31.930 31.823 -0.038 0.000 0.917 418 V HN 0.750 nan 8.190 nan 0.000 0.484 419 P HA 0.091 nan 4.420 nan 0.000 0.262 419 P C 0.695 178.079 177.300 0.140 0.000 1.199 419 P CA 0.338 63.444 63.100 0.010 0.000 0.763 419 P CB 0.458 32.078 31.700 -0.133 0.000 0.790 420 T N -0.563 114.045 114.554 0.090 0.000 2.958 420 T HA 0.322 4.707 4.350 0.060 0.000 0.256 420 T C 0.790 175.507 174.700 0.029 0.000 0.983 420 T CA -0.095 62.042 62.100 0.061 0.000 0.924 420 T CB 0.004 68.893 68.868 0.035 0.000 1.136 420 T HN 0.344 nan 8.240 nan 0.000 0.506 421 A N 1.111 123.954 122.820 0.039 0.000 2.491 421 A HA 0.565 4.921 4.320 0.060 0.000 0.261 421 A C 1.686 179.287 177.584 0.029 0.000 1.101 421 A CA 0.329 52.371 52.037 0.009 0.000 0.772 421 A CB -1.142 17.856 19.000 -0.002 0.000 1.043 421 A HN 1.536 nan 8.150 nan 0.000 0.501 422 G N 1.419 110.186 108.800 -0.054 0.000 2.159 422 G HA2 -0.210 3.786 3.960 0.060 0.000 0.256 422 G HA3 -0.210 3.786 3.960 0.060 0.000 0.256 422 G C 0.231 175.015 174.900 -0.193 0.000 0.977 422 G CA 0.303 45.342 45.100 -0.102 0.000 0.652 422 G HN 1.152 nan 8.290 nan 0.000 0.531 423 L N 1.402 122.440 121.223 -0.308 0.000 2.385 423 L HA 0.436 4.812 4.340 0.060 0.000 0.281 423 L C 1.606 178.046 176.870 -0.717 0.000 1.106 423 L CA -0.410 53.981 54.840 -0.748 0.000 0.856 423 L CB 0.957 42.620 42.059 -0.659 0.000 1.186 423 L HN -0.007 nan 8.230 nan 0.000 0.453 424 V N 4.515 124.035 119.914 -0.656 0.000 2.672 424 V HA 0.292 4.448 4.120 0.060 0.000 0.242 424 V C 1.007 176.906 176.094 -0.325 0.000 1.059 424 V CA 0.925 62.922 62.300 -0.505 0.000 1.081 424 V CB 0.429 31.977 31.823 -0.458 0.000 0.752 424 V HN 0.848 nan 8.190 nan 0.000 0.472 425 G N -1.416 107.270 108.800 -0.190 0.000 2.690 425 G HA2 0.630 4.626 3.960 0.060 0.000 0.293 425 G HA3 0.630 4.626 3.960 0.060 0.000 0.293 425 G C -1.964 173.250 174.900 0.523 0.000 1.399 425 G CA -0.412 44.870 45.100 0.303 0.000 0.890 425 G HN 0.014 nan 8.290 nan 0.000 0.485 426 F N 1.164 121.364 119.950 0.417 0.000 2.630 426 F HA 0.546 5.109 4.527 0.060 0.000 0.325 426 F C -1.462 174.301 175.800 -0.061 0.000 1.184 426 F CA -1.125 56.982 58.000 0.178 0.000 1.011 426 F CB 1.473 40.639 39.000 0.276 0.000 1.268 426 F HN 0.298 nan 8.300 nan 0.000 0.480 427 L N 6.124 127.104 121.223 -0.406 0.000 2.305 427 L HA 0.543 4.919 4.340 0.060 0.000 0.284 427 L C -0.113 176.357 176.870 -0.666 0.000 1.013 427 L CA -0.190 54.089 54.840 -0.936 0.000 0.819 427 L CB 1.591 42.483 42.059 -1.945 0.000 1.227 427 L HN 0.665 nan 8.230 nan 0.000 0.417 428 S N 0.067 115.546 115.700 -0.368 0.000 4.323 428 S HA 0.158 4.664 4.470 0.060 0.000 0.245 428 S C 0.956 175.664 174.600 0.180 0.000 1.102 428 S CA -0.038 58.058 58.200 -0.173 0.000 1.550 428 S CB 0.246 63.040 63.200 -0.678 0.000 1.359 428 S HN 0.795 nan 8.310 nan 0.000 0.725 429 H N 1.681 120.737 119.070 -0.022 0.000 2.353 429 H HA 0.280 4.872 4.556 0.060 0.000 0.300 429 H C 0.935 176.272 175.328 0.015 0.000 1.090 429 H CA 1.923 57.973 56.048 0.004 0.000 1.327 429 H CB -0.425 29.322 29.762 -0.025 0.000 1.383 429 H HN 0.249 nan 8.280 nan 0.000 0.508 430 S N 0.139 115.833 115.700 -0.010 0.000 2.465 430 S HA 0.500 5.006 4.470 0.060 0.000 0.280 430 S C -0.635 173.970 174.600 0.008 0.000 1.232 430 S CA 0.016 58.189 58.200 -0.044 0.000 1.066 430 S CB -0.481 62.730 63.200 0.018 0.000 0.929 430 S HN 0.592 nan 8.310 nan 0.000 0.494 431 A N 4.706 127.460 122.820 -0.109 0.000 2.520 431 A HA 0.736 5.092 4.320 0.060 0.000 0.298 431 A C -0.908 176.615 177.584 -0.103 0.000 1.051 431 A CA -0.859 51.121 52.037 -0.096 0.000 0.690 431 A CB 1.559 20.369 19.000 -0.317 0.000 1.281 431 A HN 0.712 nan 8.150 nan 0.000 0.402 432 N N 0.252 118.923 118.700 -0.048 0.000 2.455 432 N HA 0.573 5.349 4.740 0.060 0.000 0.285 432 N C 0.446 175.943 175.510 -0.021 0.000 1.080 432 N CA 1.125 54.150 53.050 -0.041 0.000 0.932 432 N CB 1.917 40.393 38.487 -0.019 0.000 1.610 432 N HN 1.985 nan 8.380 nan 0.000 0.493 433 G N 2.252 111.035 108.800 -0.029 0.000 2.591 433 G HA2 -0.309 3.687 3.960 0.060 0.000 0.298 433 G HA3 -0.309 3.687 3.960 0.060 0.000 0.298 433 G C 0.444 175.340 174.900 -0.006 0.000 1.195 433 G CA 0.758 45.850 45.100 -0.014 0.000 0.989 433 G HN 1.370 nan 8.290 nan 0.000 0.551 434 S N -0.376 115.333 115.700 0.015 0.000 2.622 434 S HA 0.580 5.086 4.470 0.060 0.000 0.236 434 S C 0.092 174.728 174.600 0.060 0.000 0.956 434 S CA 0.504 58.723 58.200 0.032 0.000 0.971 434 S CB 0.449 63.668 63.200 0.033 0.000 0.782 434 S HN 1.266 nan 8.310 nan 0.000 0.468 435 V N 1.787 121.738 119.914 0.061 0.000 2.588 435 V HA 0.477 4.633 4.120 0.060 0.000 0.304 435 V C -1.174 175.012 176.094 0.153 0.000 1.042 435 V CA -0.815 61.549 62.300 0.107 0.000 0.877 435 V CB 1.615 33.492 31.823 0.090 0.000 0.996 435 V HN 0.600 nan 8.190 nan 0.000 0.425 436 W N 4.428 125.711 121.300 -0.028 0.000 2.329 436 W HA 0.526 5.222 4.660 0.060 0.000 0.312 436 W C 0.007 176.481 176.519 -0.076 0.000 1.054 436 W CA -1.024 56.276 57.345 -0.075 0.000 1.245 436 W CB 1.081 30.477 29.460 -0.106 0.000 1.255 436 W HN 0.564 nan 8.180 nan 0.000 0.436 437 E N 3.074 123.425 120.200 0.253 0.000 2.289 437 E HA -0.015 4.371 4.350 0.060 0.000 0.278 437 E C -0.421 176.204 176.600 0.042 0.000 1.032 437 E CA -0.226 56.248 56.400 0.125 0.000 0.854 437 E CB 1.209 30.976 29.700 0.111 0.000 1.046 437 E HN 0.305 nan 8.360 nan 0.000 0.409 438 D N 2.335 122.808 120.400 0.122 0.000 2.401 438 D HA -0.034 4.642 4.640 0.060 0.000 0.254 438 D C 0.905 177.321 176.300 0.193 0.000 1.192 438 D CA -0.093 54.034 54.000 0.211 0.000 0.885 438 D CB 1.048 42.092 40.800 0.406 0.000 1.147 438 D HN 0.045 nan 8.370 nan 0.000 0.478 439 V N 4.360 124.356 119.914 0.137 0.000 2.490 439 V HA -0.255 3.901 4.120 0.060 0.000 0.250 439 V C 1.268 177.382 176.094 0.035 0.000 1.061 439 V CA 1.463 63.778 62.300 0.025 0.000 1.064 439 V CB -0.843 30.944 31.823 -0.060 0.000 0.670 439 V HN 0.641 nan 8.190 nan 0.000 0.461 440 Y N -0.282 120.201 120.300 0.304 0.000 2.490 440 Y HA 0.227 4.813 4.550 0.060 0.000 0.281 440 Y C 1.442 177.652 175.900 0.517 0.000 1.174 440 Y CA -0.149 58.196 58.100 0.407 0.000 1.295 440 Y CB -0.202 38.410 38.460 0.252 0.000 1.062 440 Y HN 0.192 nan 8.280 nan 0.000 0.522 441 R N -2.884 117.900 120.500 0.473 0.000 3.878 441 R HA -0.254 4.122 4.340 0.060 0.000 0.330 441 R C 0.534 177.191 176.300 0.595 0.000 1.186 441 R CA 0.720 57.083 56.100 0.437 0.000 0.885 441 R CB -2.614 27.863 30.300 0.293 0.000 1.377 441 R HN 0.431 nan 8.270 nan 0.000 0.523 442 C N -1.340 118.297 119.300 0.562 0.000 2.393 442 C HA 0.255 4.751 4.460 0.060 0.000 0.332 442 C C 0.878 176.043 174.990 0.291 0.000 1.423 442 C CA 0.284 59.600 59.018 0.496 0.000 2.097 442 C CB 0.754 28.792 27.740 0.497 0.000 2.274 442 C HN 0.240 nan 8.230 nan 0.000 0.570 443 V N 2.797 122.895 119.914 0.307 0.000 2.419 443 V HA 0.340 4.496 4.120 0.060 0.000 0.287 443 V C -1.394 174.970 176.094 0.450 0.000 1.017 443 V CA -0.386 62.048 62.300 0.223 0.000 0.844 443 V CB 1.176 32.920 31.823 -0.131 0.000 1.011 443 V HN 0.346 nan 8.190 nan 0.000 0.429 444 D N 2.979 123.560 120.400 0.303 0.000 2.358 444 D HA 0.633 5.309 4.640 0.060 0.000 0.244 444 D C 0.315 176.772 176.300 0.261 0.000 1.163 444 D CA 0.031 54.179 54.000 0.247 0.000 0.945 444 D CB 1.934 42.837 40.800 0.173 0.000 1.152 444 D HN 0.671 nan 8.370 nan 0.000 0.451 445 A N 1.272 124.146 122.820 0.091 0.000 2.312 445 A HA 0.406 4.762 4.320 0.060 0.000 0.328 445 A C -0.069 177.620 177.584 0.174 0.000 1.158 445 A CA -0.773 51.332 52.037 0.113 0.000 0.821 445 A CB 0.588 19.507 19.000 -0.134 0.000 1.170 445 A HN 0.437 nan 8.150 nan 0.000 0.490 446 N N 0.567 119.368 118.700 0.168 0.000 2.479 446 N HA 0.496 5.272 4.740 0.060 0.000 0.285 446 N C -0.939 174.654 175.510 0.137 0.000 1.075 446 N CA -0.109 53.019 53.050 0.130 0.000 0.967 446 N CB 1.877 40.417 38.487 0.089 0.000 1.137 446 N HN 0.329 nan 8.380 nan 0.000 0.472 447 V N 0.428 120.413 119.914 0.119 0.000 2.914 447 V HA 0.853 5.009 4.120 0.060 0.000 0.314 447 V C -0.389 175.751 176.094 0.077 0.000 1.084 447 V CA -0.784 61.590 62.300 0.123 0.000 0.963 447 V CB 1.871 33.775 31.823 0.136 0.000 1.025 447 V HN 0.835 nan 8.190 nan 0.000 0.432 448 A N 2.096 124.962 122.820 0.077 0.000 2.515 448 A HA 0.733 5.089 4.320 0.060 0.000 0.298 448 A C -0.085 177.561 177.584 0.102 0.000 1.059 448 A CA -0.611 51.461 52.037 0.059 0.000 0.698 448 A CB 1.171 20.186 19.000 0.025 0.000 1.289 448 A HN 0.909 nan 8.150 nan 0.000 0.404 449 N N -0.895 117.854 118.700 0.082 0.000 2.688 449 N HA -0.168 4.608 4.740 0.060 0.000 0.258 449 N C -0.164 175.446 175.510 0.166 0.000 1.016 449 N CA 1.338 54.446 53.050 0.097 0.000 0.747 449 N CB -0.872 37.667 38.487 0.086 0.000 0.895 449 N HN 1.427 nan 8.380 nan 0.000 0.543 450 A N 0.068 122.951 122.820 0.105 0.000 2.423 450 A HA 0.749 5.105 4.320 0.060 0.000 0.304 450 A C -0.219 177.300 177.584 -0.109 0.000 1.104 450 A CA -0.644 51.400 52.037 0.012 0.000 0.757 450 A CB 2.073 21.084 19.000 0.018 0.000 1.313 450 A HN 0.275 nan 8.150 nan 0.000 0.423 451 E N 0.893 120.966 120.200 -0.212 0.000 2.272 451 E HA 0.460 4.846 4.350 0.060 0.000 0.269 451 E C -0.775 175.665 176.600 -0.267 0.000 0.877 451 E CA -0.702 55.585 56.400 -0.189 0.000 0.755 451 E CB 1.270 30.887 29.700 -0.137 0.000 1.192 451 E HN 0.643 nan 8.360 nan 0.000 0.422 452 R N 1.681 122.041 120.500 -0.233 0.000 2.491 452 R HA 0.302 4.678 4.340 0.060 0.000 0.283 452 R C -0.017 176.168 176.300 -0.191 0.000 1.072 452 R CA -0.224 55.717 56.100 -0.266 0.000 1.048 452 R CB 0.883 31.033 30.300 -0.250 0.000 0.983 452 R HN 0.409 nan 8.270 nan 0.000 0.450 453 V N 0.104 119.906 119.914 -0.188 0.000 3.102 453 V HA 0.555 4.711 4.120 0.060 0.000 0.312 453 V C -2.642 173.461 176.094 0.016 0.000 1.135 453 V CA -3.253 58.997 62.300 -0.083 0.000 1.022 453 V CB 2.001 33.766 31.823 -0.097 0.000 1.056 453 V HN 0.538 nan 8.190 nan 0.000 0.436 454 P HA 0.231 nan 4.420 nan 0.000 0.260 454 P C -0.035 177.378 177.300 0.189 0.000 1.185 454 P CA 0.810 64.016 63.100 0.176 0.000 0.763 454 P CB -0.096 31.632 31.700 0.047 0.000 0.776 455 N N 1.110 120.036 118.700 0.378 0.000 2.828 455 N HA -0.157 4.618 4.740 0.060 0.000 0.248 455 N C 0.578 176.213 175.510 0.208 0.000 1.044 455 N CA 1.770 54.967 53.050 0.245 0.000 0.851 455 N CB -1.471 37.116 38.487 0.167 0.000 1.136 455 N HN 0.683 nan 8.380 nan 0.000 0.572 456 G N -1.162 107.680 108.800 0.070 0.000 2.435 456 G HA2 0.590 4.585 3.960 0.060 0.000 0.228 456 G HA3 0.590 4.585 3.960 0.060 0.000 0.228 456 G C -1.846 172.757 174.900 -0.495 0.000 1.198 456 G CA -0.577 44.484 45.100 -0.064 0.000 0.948 456 G HN 0.090 nan 8.290 nan 0.000 0.487 457 L N 0.245 121.059 121.223 -0.681 0.000 2.434 457 L HA 0.620 4.996 4.340 0.060 0.000 0.260 457 L C -0.566 175.752 176.870 -0.921 0.000 0.983 457 L CA -0.842 53.465 54.840 -0.888 0.000 0.820 457 L CB 2.730 44.029 42.059 -1.266 0.000 1.361 457 L HN 0.612 nan 8.230 nan 0.000 0.410 458 K N 1.949 121.898 120.400 -0.751 0.000 2.206 458 K HA 0.608 4.964 4.320 0.060 0.000 0.264 458 K C -1.579 174.651 176.600 -0.617 0.000 0.967 458 K CA -0.370 55.570 56.287 -0.578 0.000 0.844 458 K CB 1.056 33.398 32.500 -0.263 0.000 1.099 458 K HN 0.327 nan 8.250 nan 0.000 0.441 459 F N 2.929 122.866 119.950 -0.022 0.000 2.420 459 F HA 0.372 4.935 4.527 0.060 0.000 0.342 459 F C 0.510 176.320 175.800 0.016 0.000 1.113 459 F CA -0.854 57.144 58.000 -0.003 0.000 1.059 459 F CB 1.449 40.467 39.000 0.029 0.000 1.128 459 F HN 0.468 nan 8.300 nan 0.000 0.475 460 N N 2.313 121.129 118.700 0.192 0.000 2.616 460 N HA 0.515 5.291 4.740 0.060 0.000 0.281 460 N C -0.847 174.722 175.510 0.097 0.000 1.145 460 N CA -0.014 53.108 53.050 0.119 0.000 0.919 460 N CB 1.761 40.288 38.487 0.067 0.000 1.509 460 N HN 0.940 nan 8.380 nan 0.000 0.537 461 G N 0.585 109.438 108.800 0.089 0.000 2.334 461 G HA2 -0.017 3.979 3.960 0.060 0.000 0.566 461 G HA3 -0.017 3.979 3.960 0.060 0.000 0.566 461 G C -1.285 173.647 174.900 0.053 0.000 1.413 461 G CA -0.750 44.387 45.100 0.062 0.000 0.993 461 G HN 0.316 nan 8.290 nan 0.000 0.642 462 V N 1.491 121.426 119.914 0.034 0.000 2.509 462 V HA 0.371 4.527 4.120 0.060 0.000 0.297 462 V C 1.899 178.000 176.094 0.012 0.000 1.014 462 V CA 2.266 64.578 62.300 0.020 0.000 1.127 462 V CB 0.524 32.354 31.823 0.011 0.000 0.925 462 V HN 2.744 nan 8.190 nan 0.000 0.480 463 G N 3.901 112.700 108.800 -0.001 0.000 2.143 463 G HA2 -0.171 3.825 3.960 0.060 0.000 0.248 463 G HA3 -0.171 3.825 3.960 0.060 0.000 0.248 463 G C 0.556 175.434 174.900 -0.036 0.000 0.991 463 G CA -0.127 44.960 45.100 -0.022 0.000 0.689 463 G HN 1.463 nan 8.290 nan 0.000 0.522 464 G N -0.114 108.682 108.800 -0.008 0.000 2.299 464 G HA2 0.674 4.670 3.960 0.060 0.000 0.256 464 G HA3 0.674 4.670 3.960 0.060 0.000 0.256 464 G C 0.709 175.401 174.900 -0.346 0.000 1.259 464 G CA 1.199 46.304 45.100 0.009 0.000 0.943 464 G HN 1.754 nan 8.290 nan 0.000 0.479 465 G N 0.015 108.401 108.800 -0.691 0.000 2.343 465 G HA2 0.655 4.651 3.960 0.060 0.000 0.289 465 G HA3 0.655 4.651 3.960 0.060 0.000 0.289 465 G C -1.135 173.465 174.900 -0.501 0.000 1.295 465 G CA 0.027 44.364 45.100 -1.272 0.000 0.869 465 G HN 1.746 nan 8.290 nan 0.000 0.522 466 A N -1.159 121.543 122.820 -0.197 0.000 2.435 466 A HA 0.841 5.197 4.320 0.060 0.000 0.304 466 A C -1.020 176.685 177.584 0.201 0.000 1.064 466 A CA -0.574 51.546 52.037 0.138 0.000 0.727 466 A CB 2.155 21.416 19.000 0.436 0.000 1.284 466 A HN 1.688 nan 8.150 nan 0.000 0.415 467 V N 1.926 121.966 119.914 0.210 0.000 2.357 467 V HA 0.337 4.492 4.120 0.060 0.000 0.284 467 V C -1.188 175.121 176.094 0.357 0.000 1.018 467 V CA -0.374 62.090 62.300 0.274 0.000 0.841 467 V CB 1.308 33.183 31.823 0.088 0.000 0.991 467 V HN 0.835 nan 8.190 nan 0.000 0.437 468 W N 9.398 130.849 121.300 0.251 0.000 2.288 468 W HA 0.479 5.176 4.660 0.060 0.000 0.325 468 W C -2.423 174.225 176.519 0.215 0.000 1.019 468 W CA -3.162 54.330 57.345 0.246 0.000 1.403 468 W CB 1.207 30.860 29.460 0.322 0.000 1.226 468 W HN 0.348 nan 8.180 nan 0.000 0.391 469 P HA 0.038 nan 4.420 nan 0.000 0.271 469 P C 0.116 177.380 177.300 -0.061 0.000 1.216 469 P CA 0.368 63.522 63.100 0.090 0.000 0.771 469 P CB 2.170 33.887 31.700 0.027 0.000 0.864 470 V N 3.544 123.380 119.914 -0.130 0.000 4.255 470 V HA 0.133 4.288 4.120 0.060 0.000 0.186 470 V C 2.410 178.389 176.094 -0.193 0.000 1.068 470 V CA 1.291 63.450 62.300 -0.235 0.000 1.418 470 V CB -1.366 30.192 31.823 -0.440 0.000 1.876 470 V HN 0.473 nan 8.190 nan 0.000 0.469 471 A N -0.017 122.702 122.820 -0.168 0.000 1.972 471 A HA -0.190 4.166 4.320 0.060 0.000 0.219 471 A C 2.097 179.622 177.584 -0.098 0.000 1.169 471 A CA 1.671 53.632 52.037 -0.126 0.000 0.635 471 A CB -0.637 18.305 19.000 -0.097 0.000 0.810 471 A HN 0.516 nan 8.150 nan 0.000 0.446 472 R N -0.352 120.102 120.500 -0.077 0.000 2.341 472 R HA -0.111 4.265 4.340 0.060 0.000 0.213 472 R C 1.896 178.155 176.300 -0.067 0.000 1.082 472 R CA 1.009 57.074 56.100 -0.059 0.000 1.017 472 R CB -0.228 30.046 30.300 -0.044 0.000 0.860 472 R HN 0.702 nan 8.270 nan 0.000 0.473 473 Q N -0.280 119.460 119.800 -0.101 0.000 2.291 473 Q HA -0.037 4.339 4.340 0.060 0.000 0.206 473 Q C 1.127 177.076 176.000 -0.084 0.000 0.976 473 Q CA 0.800 56.538 55.803 -0.108 0.000 0.875 473 Q CB 0.173 28.804 28.738 -0.178 0.000 0.927 473 Q HN 0.517 nan 8.270 nan 0.000 0.450 474 G N 0.652 109.401 108.800 -0.084 0.000 2.754 474 G HA2 -0.429 3.567 3.960 0.060 0.000 0.241 474 G HA3 -0.429 3.567 3.960 0.060 0.000 0.241 474 G C 0.400 175.254 174.900 -0.077 0.000 1.281 474 G CA 0.280 45.340 45.100 -0.067 0.000 0.971 474 G HN 0.328 nan 8.290 nan 0.000 0.569 475 Q N 0.050 119.814 119.800 -0.059 0.000 2.020 475 Q HA 0.066 4.442 4.340 0.060 0.000 0.202 475 Q C 1.013 176.951 176.000 -0.104 0.000 0.982 475 Q CA 2.003 57.769 55.803 -0.062 0.000 0.838 475 Q CB -0.221 28.504 28.738 -0.022 0.000 0.899 475 Q HN 0.592 nan 8.270 nan 0.000 0.423 476 T N 1.791 116.287 114.554 -0.098 0.000 2.733 476 T HA 0.384 4.770 4.350 0.060 0.000 0.294 476 T C -0.795 173.750 174.700 -0.258 0.000 0.956 476 T CA -0.384 61.593 62.100 -0.204 0.000 0.987 476 T CB 0.841 69.654 68.868 -0.092 0.000 0.920 476 T HN 0.163 nan 8.240 nan 0.000 0.470 477 R N 2.975 123.267 120.500 -0.347 0.000 2.471 477 R HA 0.274 4.650 4.340 0.060 0.000 0.292 477 R C 1.145 177.229 176.300 -0.360 0.000 1.192 477 R CA -0.436 55.479 56.100 -0.308 0.000 1.257 477 R CB 0.730 30.883 30.300 -0.246 0.000 1.130 477 R HN 0.529 nan 8.270 nan 0.000 0.558 478 R N 0.534 120.824 120.500 -0.350 0.000 2.235 478 R HA -0.050 4.326 4.340 0.060 0.000 0.213 478 R C 0.605 176.912 176.300 0.013 0.000 1.059 478 R CA 1.056 56.991 56.100 -0.275 0.000 0.997 478 R CB 0.292 30.449 30.300 -0.239 0.000 0.884 478 R HN 0.581 nan 8.270 nan 0.000 0.462 479 Y N -0.261 119.849 120.300 -0.318 0.000 2.658 479 Y HA 0.032 4.618 4.550 0.060 0.000 0.276 479 Y C 1.789 177.225 175.900 -0.773 0.000 1.167 479 Y CA -0.726 57.008 58.100 -0.611 0.000 1.230 479 Y CB 0.592 38.702 38.460 -0.584 0.000 1.144 479 Y HN 0.028 nan 8.280 nan 0.000 0.529 480 Q N 1.493 121.113 119.800 -0.300 0.000 2.234 480 Q HA -0.226 4.150 4.340 0.060 0.000 0.206 480 Q C 1.690 177.562 176.000 -0.213 0.000 0.980 480 Q CA 2.111 57.766 55.803 -0.246 0.000 0.869 480 Q CB -0.729 27.903 28.738 -0.177 0.000 0.912 480 Q HN 0.665 nan 8.270 nan 0.000 0.436 481 F N -1.301 118.623 119.950 -0.044 0.000 2.250 481 F HA -0.013 4.549 4.527 0.060 0.000 0.301 481 F C 1.871 177.730 175.800 0.098 0.000 1.077 481 F CA 0.838 58.847 58.000 0.015 0.000 1.348 481 F CB -0.992 38.003 39.000 -0.008 0.000 1.040 481 F HN 0.098 nan 8.300 nan 0.000 0.509 482 A N 1.225 123.687 122.820 -0.597 0.000 2.019 482 A HA -0.185 4.171 4.320 0.060 0.000 0.219 482 A C 1.996 179.667 177.584 0.145 0.000 1.164 482 A CA 1.626 53.577 52.037 -0.144 0.000 0.644 482 A CB -0.898 17.823 19.000 -0.466 0.000 0.805 482 A HN 0.546 nan 8.150 nan 0.000 0.449 483 N N -1.824 116.888 118.700 0.020 0.000 2.453 483 N HA -0.123 4.653 4.740 0.060 0.000 0.183 483 N C 1.339 176.951 175.510 0.170 0.000 1.041 483 N CA 1.361 54.454 53.050 0.071 0.000 0.900 483 N CB -0.257 38.230 38.487 -0.001 0.000 0.961 483 N HN 0.724 nan 8.380 nan 0.000 0.443 484 Y N 1.432 121.768 120.300 0.060 0.000 2.353 484 Y HA 0.141 4.728 4.550 0.061 0.000 0.294 484 Y C 0.513 176.457 175.900 0.073 0.000 1.135 484 Y CA 0.451 58.581 58.100 0.051 0.000 1.176 484 Y CB 0.486 38.970 38.460 0.040 0.000 1.124 484 Y HN -0.069 nan 8.280 nan 0.000 0.537 485 R N -0.506 120.061 120.500 0.111 0.000 2.687 485 R HA 0.455 4.831 4.340 0.060 0.000 0.265 485 R C -1.958 174.512 176.300 0.284 0.000 1.048 485 R CA -0.569 55.517 56.100 -0.023 0.000 0.884 485 R CB 1.014 31.173 30.300 -0.234 0.000 1.258 485 R HN 0.155 nan 8.270 nan 0.000 0.469 486 F N -1.814 118.186 119.950 0.082 0.000 2.741 486 F HA 0.683 5.246 4.527 0.060 0.000 0.311 486 F C -1.901 173.915 175.800 0.028 0.000 1.149 486 F CA -0.814 57.263 58.000 0.129 0.000 0.930 486 F CB 1.948 41.069 39.000 0.201 0.000 1.312 486 F HN 0.475 nan 8.300 nan 0.000 0.450 487 T N 3.030 117.753 114.554 0.282 0.000 2.879 487 T HA 0.640 5.026 4.350 0.060 0.000 0.290 487 T C -1.827 173.026 174.700 0.254 0.000 0.993 487 T CA -0.374 61.819 62.100 0.155 0.000 0.975 487 T CB 1.505 70.371 68.868 -0.004 0.000 0.981 487 T HN 0.791 nan 8.240 nan 0.000 0.439 488 L N 4.942 126.284 121.223 0.198 0.000 2.356 488 L HA 0.817 5.193 4.340 0.060 0.000 0.277 488 L C -1.217 175.657 176.870 0.006 0.000 0.996 488 L CA -0.503 54.340 54.840 0.004 0.000 0.822 488 L CB 1.452 43.389 42.059 -0.203 0.000 1.256 488 L HN 0.465 nan 8.230 nan 0.000 0.413 489 V N 3.990 123.912 119.914 0.013 0.000 2.680 489 V HA 1.014 5.170 4.120 0.060 0.000 0.309 489 V C -0.252 175.822 176.094 -0.033 0.000 1.052 489 V CA -0.173 62.105 62.300 -0.036 0.000 0.908 489 V CB 1.419 33.273 31.823 0.051 0.000 1.001 489 V HN 1.014 nan 8.190 nan 0.000 0.431 490 A N 2.287 125.041 122.820 -0.109 0.000 2.604 490 A HA 0.805 5.160 4.320 0.060 0.000 0.295 490 A C -0.643 176.938 177.584 -0.006 0.000 1.067 490 A CA -0.560 51.474 52.037 -0.005 0.000 0.683 490 A CB 1.924 20.943 19.000 0.032 0.000 1.281 490 A HN 0.628 nan 8.150 nan 0.000 0.407 491 T N 1.368 115.994 114.554 0.119 0.000 2.795 491 T HA 0.630 5.016 4.350 0.060 0.000 0.282 491 T C -0.097 174.697 174.700 0.157 0.000 0.980 491 T CA -0.030 62.171 62.100 0.168 0.000 1.012 491 T CB 0.918 69.911 68.868 0.209 0.000 0.936 491 T HN 1.755 nan 8.240 nan 0.000 0.457 492 V N 0.927 120.940 119.914 0.165 0.000 3.078 492 V HA 1.005 5.161 4.120 0.060 0.000 0.311 492 V C -0.466 175.722 176.094 0.157 0.000 1.138 492 V CA -1.011 61.379 62.300 0.151 0.000 1.007 492 V CB 2.075 33.979 31.823 0.134 0.000 1.045 492 V HN 0.948 nan 8.190 nan 0.000 0.432 493 T N 0.425 115.038 114.554 0.098 0.000 2.893 493 T HA 0.753 5.138 4.350 0.060 0.000 0.293 493 T C -0.678 174.002 174.700 -0.034 0.000 1.027 493 T CA -0.510 61.637 62.100 0.079 0.000 0.988 493 T CB 1.489 70.408 68.868 0.086 0.000 1.043 493 T HN 0.782 nan 8.240 nan 0.000 0.461 494 I N 3.036 123.518 120.570 -0.146 0.000 2.315 494 I HA 0.268 4.474 4.170 0.060 0.000 0.291 494 I C 0.307 176.340 176.117 -0.141 0.000 1.006 494 I CA -0.656 60.433 61.300 -0.353 0.000 1.265 494 I CB 1.192 38.652 38.000 -0.900 0.000 1.387 494 I HN 0.736 nan 8.210 nan 0.000 0.475 495 D N 4.644 125.017 120.400 -0.044 0.000 2.277 495 D HA 0.076 4.752 4.640 0.060 0.000 0.209 495 D C 0.147 176.493 176.300 0.077 0.000 0.970 495 D CA 0.880 54.929 54.000 0.083 0.000 0.874 495 D CB 0.515 41.388 40.800 0.121 0.000 0.982 495 D HN 0.576 nan 8.370 nan 0.000 0.504 496 E N 0.185 120.430 120.200 0.075 0.000 2.331 496 E HA 0.380 4.766 4.350 0.060 0.000 0.275 496 E C -0.608 176.097 176.600 0.175 0.000 0.895 496 E CA -0.648 55.822 56.400 0.115 0.000 0.753 496 E CB 2.656 32.431 29.700 0.126 0.000 1.216 496 E HN -0.105 nan 8.360 nan 0.000 0.434 497 L N 3.474 124.805 121.223 0.180 0.000 2.485 497 L HA 0.209 4.584 4.340 0.060 0.000 0.275 497 L C -1.731 175.274 176.870 0.224 0.000 1.207 497 L CA -1.275 53.712 54.840 0.246 0.000 0.855 497 L CB -0.268 41.876 42.059 0.142 0.000 1.114 497 L HN 0.316 nan 8.230 nan 0.000 0.485 498 P HA 0.136 nan 4.420 nan 0.000 0.278 498 P C -0.106 177.237 177.300 0.072 0.000 1.266 498 P CA -0.726 62.455 63.100 0.135 0.000 0.807 498 P CB 1.231 32.944 31.700 0.021 0.000 1.094 499 K N 0.034 120.455 120.400 0.035 0.000 2.057 499 K HA -0.036 4.320 4.320 0.060 0.000 0.206 499 K C 1.383 177.987 176.600 0.006 0.000 1.050 499 K CA 1.932 58.231 56.287 0.020 0.000 0.935 499 K CB -0.536 31.971 32.500 0.012 0.000 0.715 499 K HN 0.664 nan 8.250 nan 0.000 0.439 500 G N -0.940 107.852 108.800 -0.013 0.000 2.581 500 G HA2 0.173 4.169 3.960 0.060 0.000 0.194 500 G HA3 0.173 4.169 3.960 0.060 0.000 0.194 500 G C -0.523 174.349 174.900 -0.046 0.000 1.814 500 G CA -0.199 44.888 45.100 -0.022 0.000 0.745 500 G HN 0.220 nan 8.290 nan 0.000 0.802 501 T N 0.220 114.726 114.554 -0.080 0.000 2.908 501 T HA 0.696 5.082 4.350 0.060 0.000 0.290 501 T C -1.068 173.490 174.700 -0.237 0.000 1.034 501 T CA -0.233 61.780 62.100 -0.145 0.000 1.010 501 T CB 1.829 70.649 68.868 -0.080 0.000 1.068 501 T HN 0.386 nan 8.240 nan 0.000 0.481 502 S N 1.814 117.236 115.700 -0.464 0.000 2.541 502 S HA 0.680 5.186 4.470 0.060 0.000 0.271 502 S C -2.888 171.498 174.600 -0.356 0.000 1.133 502 S CA -1.477 56.466 58.200 -0.429 0.000 0.876 502 S CB 1.551 64.472 63.200 -0.465 0.000 1.105 502 S HN 0.375 nan 8.310 nan 0.000 0.470 503 P HA 0.316 nan 4.420 nan 0.000 0.274 503 P C -0.041 177.460 177.300 0.336 0.000 1.231 503 P CA -0.398 62.784 63.100 0.137 0.000 0.790 503 P CB 0.956 32.693 31.700 0.061 0.000 0.951 504 L N 2.310 123.777 121.223 0.407 0.000 2.678 504 L HA 0.536 4.912 4.340 0.060 0.000 0.211 504 L C -0.524 176.489 176.870 0.237 0.000 1.043 504 L CA 0.785 55.839 54.840 0.357 0.000 0.881 504 L CB 0.102 42.368 42.059 0.344 0.000 1.361 504 L HN 0.272 nan 8.230 nan 0.000 0.484 505 L N -0.241 121.057 121.223 0.125 0.000 2.592 505 L HA 0.773 5.149 4.340 0.060 0.000 0.258 505 L C -0.757 175.816 176.870 -0.494 0.000 0.926 505 L CA 0.580 55.320 54.840 -0.166 0.000 0.885 505 L CB 1.719 43.736 42.059 -0.070 0.000 1.380 505 L HN 0.278 nan 8.230 nan 0.000 0.415 506 G N 2.259 110.441 108.800 -1.030 0.000 2.320 506 G HA2 0.676 4.672 3.960 0.060 0.000 0.296 506 G HA3 0.676 4.672 3.960 0.060 0.000 0.296 506 G C -2.119 172.433 174.900 -0.580 0.000 1.306 506 G CA -0.139 44.475 45.100 -0.810 0.000 0.836 506 G HN 0.983 nan 8.290 nan 0.000 0.517 507 A N -0.493 122.265 122.820 -0.103 0.000 2.291 507 A HA 0.855 5.211 4.320 0.060 0.000 0.311 507 A C 0.499 178.064 177.584 -0.031 0.000 1.224 507 A CA 0.272 52.249 52.037 -0.101 0.000 0.821 507 A CB 0.936 19.901 19.000 -0.058 0.000 1.172 507 A HN 1.932 nan 8.150 nan 0.000 0.494 508 G N 1.075 109.757 108.800 -0.198 0.000 2.451 508 G HA2 0.560 4.555 3.960 0.060 0.000 0.303 508 G HA3 0.560 4.555 3.960 0.060 0.000 0.303 508 G C -0.485 174.343 174.900 -0.120 0.000 1.166 508 G CA -0.534 44.480 45.100 -0.144 0.000 0.884 508 G HN 0.691 nan 8.290 nan 0.000 0.514 509 L N 0.699 121.903 121.223 -0.033 0.000 2.334 509 L HA 0.405 4.781 4.340 0.060 0.000 0.273 509 L C 0.302 177.174 176.870 0.002 0.000 1.013 509 L CA -1.024 53.802 54.840 -0.024 0.000 0.816 509 L CB 1.846 43.901 42.059 -0.008 0.000 1.278 509 L HN 0.400 nan 8.230 nan 0.000 0.431 510 E N 1.260 121.455 120.200 -0.008 0.000 2.408 510 E HA 0.472 4.857 4.350 0.060 0.000 0.259 510 E C 0.288 176.887 176.600 -0.001 0.000 1.110 510 E CA 0.518 56.917 56.400 -0.002 0.000 0.929 510 E CB 1.128 30.818 29.700 -0.016 0.000 0.971 510 E HN 0.781 nan 8.360 nan 0.000 0.438 511 G N 1.846 110.645 108.800 -0.001 0.000 2.525 511 G HA2 -0.108 3.887 3.960 0.060 0.000 0.685 511 G HA3 -0.108 3.887 3.960 0.060 0.000 0.685 511 G C -2.514 172.386 174.900 -0.001 0.000 1.290 511 G CA -0.877 44.222 45.100 -0.002 0.000 0.915 511 G HN 0.468 nan 8.290 nan 0.000 0.548 512 P HA 0.487 nan 4.420 nan 0.000 0.267 512 P C 1.089 178.388 177.300 -0.002 0.000 1.200 512 P CA 1.734 64.833 63.100 -0.003 0.000 0.772 512 P CB 0.578 32.277 31.700 -0.002 0.000 0.855 513 G N 1.867 110.664 108.800 -0.005 0.000 2.499 513 G HA2 -0.179 3.817 3.960 0.060 0.000 0.232 513 G HA3 -0.179 3.817 3.960 0.060 0.000 0.232 513 G C -0.767 174.128 174.900 -0.009 0.000 1.251 513 G CA 0.351 45.447 45.100 -0.007 0.000 0.917 513 G HN 0.748 nan 8.290 nan 0.000 0.580 514 D N -0.062 120.332 120.400 -0.011 0.000 3.060 514 D HA 0.609 5.285 4.640 0.060 0.000 0.326 514 D C 0.486 176.776 176.300 -0.017 0.000 1.253 514 D CA 0.957 54.946 54.000 -0.019 0.000 0.737 514 D CB -0.041 40.737 40.800 -0.036 0.000 1.260 514 D HN 1.050 nan 8.370 nan 0.000 0.542 515 A N 1.354 124.172 122.820 -0.003 0.000 2.371 515 A HA 0.649 5.005 4.320 0.060 0.000 0.257 515 A C 0.115 177.708 177.584 0.015 0.000 1.089 515 A CA -0.089 51.952 52.037 0.007 0.000 0.794 515 A CB 0.599 19.605 19.000 0.011 0.000 1.029 515 A HN 0.277 nan 8.150 nan 0.000 0.488 516 K N 0.967 121.387 120.400 0.033 0.000 2.318 516 K HA 0.433 4.789 4.320 0.060 0.000 0.249 516 K C 0.365 177.006 176.600 0.069 0.000 0.942 516 K CA -0.745 55.583 56.287 0.069 0.000 0.808 516 K CB 1.858 34.428 32.500 0.117 0.000 1.189 516 K HN 0.476 nan 8.250 nan 0.000 0.428 517 L N 2.439 123.711 121.223 0.081 0.000 2.168 517 L HA 0.326 4.702 4.340 0.060 0.000 0.203 517 L C -0.509 176.431 176.870 0.118 0.000 1.078 517 L CA 1.341 56.239 54.840 0.096 0.000 0.780 517 L CB 0.231 42.358 42.059 0.113 0.000 0.939 517 L HN 0.571 nan 8.230 nan 0.000 0.451 518 L N -0.753 120.552 121.223 0.137 0.000 2.592 518 L HA 0.735 5.111 4.340 0.060 0.000 0.258 518 L C -0.721 176.196 176.870 0.078 0.000 0.926 518 L CA 0.515 55.417 54.840 0.104 0.000 0.885 518 L CB 1.491 43.651 42.059 0.169 0.000 1.380 518 L HN 0.146 nan 8.230 nan 0.000 0.415 519 G N 2.677 111.466 108.800 -0.018 0.000 2.495 519 G HA2 0.584 4.580 3.960 0.060 0.000 0.294 519 G HA3 0.584 4.580 3.960 0.060 0.000 0.294 519 G C -2.730 172.136 174.900 -0.057 0.000 1.397 519 G CA -0.550 44.548 45.100 -0.004 0.000 0.790 519 G HN 0.863 nan 8.290 nan 0.000 0.486 520 L N 0.393 121.623 121.223 0.011 0.000 2.438 520 L HA 0.847 5.223 4.340 0.060 0.000 0.270 520 L C -0.236 176.738 176.870 0.174 0.000 0.972 520 L CA -0.317 54.541 54.840 0.029 0.000 0.831 520 L CB 1.871 43.895 42.059 -0.059 0.000 1.273 520 L HN 0.619 nan 8.230 nan 0.000 0.405 521 S N 2.614 118.435 115.700 0.203 0.000 2.759 521 S HA 0.838 5.344 4.470 0.060 0.000 0.310 521 S C -1.468 173.352 174.600 0.366 0.000 1.123 521 S CA -0.328 58.006 58.200 0.223 0.000 0.959 521 S CB 1.659 64.903 63.200 0.072 0.000 1.172 521 S HN 0.584 nan 8.310 nan 0.000 0.539 522 Y N -0.484 119.918 120.300 0.170 0.000 2.588 522 Y HA 0.814 5.400 4.550 0.060 0.000 0.343 522 Y C -1.080 174.945 175.900 0.209 0.000 1.065 522 Y CA -1.255 56.953 58.100 0.179 0.000 1.038 522 Y CB 0.877 39.245 38.460 -0.152 0.000 1.297 522 Y HN 0.663 nan 8.280 nan 0.000 0.467 523 D N -0.322 120.294 120.400 0.361 0.000 2.585 523 D HA 0.237 4.912 4.640 0.060 0.000 0.254 523 D C 0.143 176.554 176.300 0.186 0.000 1.067 523 D CA -1.039 53.055 54.000 0.157 0.000 1.090 523 D CB 1.545 42.385 40.800 0.067 0.000 1.408 523 D HN 0.733 nan 8.370 nan 0.000 0.554 524 K N -0.625 119.816 120.400 0.067 0.000 2.362 524 K HA -0.017 4.339 4.320 0.060 0.000 0.200 524 K C 0.259 176.820 176.600 -0.065 0.000 1.046 524 K CA 0.735 57.039 56.287 0.030 0.000 0.952 524 K CB -0.345 32.163 32.500 0.012 0.000 0.753 524 K HN 0.159 nan 8.250 nan 0.000 0.466 525 N N 1.417 120.056 118.700 -0.102 0.000 2.314 525 N HA 0.068 4.844 4.740 0.060 0.000 0.200 525 N C -0.627 174.661 175.510 -0.369 0.000 1.135 525 N CA 0.057 53.000 53.050 -0.179 0.000 0.835 525 N CB 0.306 38.722 38.487 -0.119 0.000 0.989 525 N HN 0.204 nan 8.380 nan 0.000 0.478 526 R N 0.324 120.475 120.500 -0.582 0.000 3.531 526 R HA -0.174 4.202 4.340 0.060 0.000 0.280 526 R C -0.582 174.937 176.300 -1.302 0.000 1.130 526 R CA 0.639 55.851 56.100 -1.480 0.000 0.757 526 R CB -1.809 27.654 30.300 -1.393 0.000 1.218 526 R HN 0.436 nan 8.270 nan 0.000 0.454 527 Q N -0.643 118.856 119.800 -0.502 0.000 2.297 527 Q HA 0.341 4.717 4.340 0.060 0.000 0.268 527 Q C -0.319 175.780 176.000 0.164 0.000 1.045 527 Q CA -0.763 54.919 55.803 -0.202 0.000 0.861 527 Q CB 1.172 29.878 28.738 -0.054 0.000 1.344 527 Q HN 0.148 nan 8.270 nan 0.000 0.452 528 W N 0.973 122.469 121.300 0.325 0.000 2.251 528 W HA 0.323 5.019 4.660 0.060 0.000 0.329 528 W C 0.486 177.090 176.519 0.142 0.000 1.234 528 W CA -0.564 56.930 57.345 0.248 0.000 1.228 528 W CB 0.801 30.341 29.460 0.133 0.000 1.135 528 W HN 0.151 nan 8.180 nan 0.000 0.576 529 R N 3.094 123.832 120.500 0.397 0.000 2.547 529 R HA 0.234 4.610 4.340 0.060 0.000 0.280 529 R C -2.689 173.672 176.300 0.101 0.000 1.630 529 R CA -1.678 54.541 56.100 0.200 0.000 1.470 529 R CB 0.673 31.058 30.300 0.141 0.000 1.178 529 R HN 0.154 nan 8.270 nan 0.000 0.591 530 P HA 0.169 nan 4.420 nan 0.000 0.275 530 P C -0.396 176.680 177.300 -0.373 0.000 1.228 530 P CA -0.188 62.758 63.100 -0.257 0.000 0.786 530 P CB 1.109 32.585 31.700 -0.372 0.000 0.927 531 L N 3.472 124.432 121.223 -0.439 0.000 2.325 531 L HA 0.385 4.761 4.340 0.060 0.000 0.281 531 L C -0.296 176.352 176.870 -0.370 0.000 1.004 531 L CA -0.645 54.035 54.840 -0.267 0.000 0.823 531 L CB 0.962 42.982 42.059 -0.065 0.000 1.236 531 L HN 0.372 nan 8.230 nan 0.000 0.415 532 Y N 2.478 122.797 120.300 0.033 0.000 2.726 532 Y HA 0.515 5.101 4.550 0.060 0.000 0.367 532 Y C 1.108 177.020 175.900 0.020 0.000 1.038 532 Y CA -0.162 57.948 58.100 0.018 0.000 1.174 532 Y CB 1.089 39.548 38.460 -0.002 0.000 1.265 532 Y HN 0.899 nan 8.280 nan 0.000 0.622 533 G N 1.320 110.196 108.800 0.128 0.000 2.512 533 G HA2 -0.290 3.706 3.960 0.060 0.000 0.254 533 G HA3 -0.290 3.706 3.960 0.060 0.000 0.254 533 G C 1.075 176.020 174.900 0.074 0.000 1.199 533 G CA -0.025 45.131 45.100 0.093 0.000 0.941 533 G HN 0.714 nan 8.290 nan 0.000 0.569 534 A N 0.323 123.179 122.820 0.060 0.000 2.119 534 A HA 0.603 4.959 4.320 0.060 0.000 0.217 534 A C 1.948 179.562 177.584 0.051 0.000 1.153 534 A CA 1.940 54.005 52.037 0.046 0.000 0.692 534 A CB -0.887 18.133 19.000 0.033 0.000 0.799 534 A HN 2.530 nan 8.150 nan 0.000 0.458 535 A N 1.495 124.358 122.820 0.071 0.000 2.531 535 A HA 0.437 4.793 4.320 0.060 0.000 0.236 535 A C -1.777 175.852 177.584 0.074 0.000 1.062 535 A CA -0.809 51.274 52.037 0.076 0.000 0.760 535 A CB -0.452 18.611 19.000 0.106 0.000 0.995 535 A HN 0.367 nan 8.150 nan 0.000 0.501 536 P HA 0.148 nan 4.420 nan 0.000 0.264 536 P C -0.221 177.120 177.300 0.068 0.000 1.193 536 P CA 0.375 63.506 63.100 0.051 0.000 0.763 536 P CB 0.517 32.242 31.700 0.041 0.000 0.810 537 A N 3.529 126.381 122.820 0.053 0.000 2.981 537 A HA 0.258 4.614 4.320 0.060 0.000 0.280 537 A C 0.877 178.501 177.584 0.067 0.000 1.743 537 A CA -0.311 51.759 52.037 0.056 0.000 1.430 537 A CB -1.183 17.837 19.000 0.033 0.000 1.085 537 A HN 0.542 nan 8.150 nan 0.000 0.597 538 S N 2.390 118.142 115.700 0.087 0.000 2.510 538 S HA 0.449 4.955 4.470 0.060 0.000 0.279 538 S C -2.514 172.144 174.600 0.098 0.000 1.284 538 S CA -1.203 57.046 58.200 0.081 0.000 1.059 538 S CB 0.280 63.528 63.200 0.080 0.000 0.901 538 S HN 0.456 nan 8.310 nan 0.000 0.491 539 P HA 0.410 nan 4.420 nan 0.000 0.271 539 P C -0.282 177.084 177.300 0.110 0.000 1.218 539 P CA -0.155 63.006 63.100 0.102 0.000 0.780 539 P CB 0.876 32.615 31.700 0.064 0.000 0.901 540 T N 0.240 114.887 114.554 0.156 0.000 2.889 540 T HA 0.589 4.975 4.350 0.060 0.000 0.315 540 T C -0.088 174.734 174.700 0.203 0.000 1.291 540 T CA 0.567 62.760 62.100 0.155 0.000 1.028 540 T CB 0.698 69.664 68.868 0.164 0.000 1.235 540 T HN 0.775 nan 8.240 nan 0.000 0.491 541 G N 2.217 111.107 108.800 0.151 0.000 2.601 541 G HA2 0.068 4.064 3.960 0.060 0.000 0.252 541 G HA3 0.068 4.064 3.960 0.060 0.000 0.252 541 G C -0.148 174.780 174.900 0.047 0.000 1.294 541 G CA 0.186 45.387 45.100 0.169 0.000 0.912 541 G HN 1.638 nan 8.290 nan 0.000 0.574 542 S N -0.341 115.378 115.700 0.031 0.000 2.543 542 S HA 0.677 5.183 4.470 0.060 0.000 0.273 542 S C -0.914 173.601 174.600 -0.142 0.000 1.152 542 S CA 0.341 58.432 58.200 -0.182 0.000 0.910 542 S CB 0.674 63.811 63.200 -0.105 0.000 1.105 542 S HN 1.593 nan 8.310 nan 0.000 0.465 543 W N 2.248 123.328 121.300 -0.368 0.000 2.992 543 W HA 0.749 5.445 4.660 0.060 0.000 0.342 543 W C -1.172 175.287 176.519 -0.101 0.000 1.176 543 W CA -0.876 56.277 57.345 -0.320 0.000 1.118 543 W CB 0.468 29.341 29.460 -0.977 0.000 1.457 543 W HN 0.564 nan 8.180 nan 0.000 0.573 544 E N 1.381 121.901 120.200 0.533 0.000 2.212 544 E HA 0.401 4.787 4.350 0.060 0.000 0.268 544 E C -0.468 176.414 176.600 0.470 0.000 0.902 544 E CA -1.078 55.522 56.400 0.332 0.000 0.779 544 E CB 2.935 32.778 29.700 0.237 0.000 1.172 544 E HN 0.246 nan 8.360 nan 0.000 0.409 545 L N 3.223 124.591 121.223 0.241 0.000 2.514 545 L HA -0.010 4.366 4.340 0.060 0.000 0.280 545 L C 0.270 177.078 176.870 -0.104 0.000 1.223 545 L CA 0.806 55.636 54.840 -0.016 0.000 0.864 545 L CB -0.290 41.562 42.059 -0.345 0.000 1.118 545 L HN 0.875 nan 8.230 nan 0.000 0.494 546 H N -0.751 118.414 119.070 0.157 0.000 3.641 546 H HA -0.215 4.377 4.556 0.060 0.000 0.193 546 H C 0.370 175.737 175.328 0.065 0.000 1.013 546 H CA 1.250 57.351 56.048 0.090 0.000 1.212 546 H CB -0.898 28.905 29.762 0.069 0.000 1.089 546 H HN 0.504 nan 8.280 nan 0.000 0.339 547 K N 2.056 122.548 120.400 0.153 0.000 2.249 547 K HA 0.531 4.887 4.320 0.060 0.000 0.280 547 K C 0.246 176.738 176.600 -0.180 0.000 1.033 547 K CA 0.304 56.573 56.287 -0.030 0.000 0.946 547 K CB 0.608 33.051 32.500 -0.094 0.000 1.005 547 K HN 0.291 nan 8.250 nan 0.000 0.469 548 K N 3.560 123.847 120.400 -0.188 0.000 2.339 548 K HA 0.165 4.521 4.320 0.060 0.000 0.286 548 K C -1.306 175.131 176.600 -0.271 0.000 1.050 548 K CA 0.314 56.536 56.287 -0.108 0.000 0.956 548 K CB -0.084 32.412 32.500 -0.007 0.000 0.990 548 K HN 0.541 nan 8.250 nan 0.000 0.475 549 Y N 0.167 120.587 120.300 0.200 0.000 2.446 549 Y HA 0.364 4.950 4.550 0.060 0.000 0.345 549 Y C 0.193 176.222 175.900 0.215 0.000 0.984 549 Y CA -0.820 57.417 58.100 0.228 0.000 1.058 549 Y CB 2.198 40.806 38.460 0.245 0.000 1.220 549 Y HN 0.829 nan 8.280 nan 0.000 0.455 550 H N 1.771 121.023 119.070 0.303 0.000 2.517 550 H HA 0.637 5.229 4.556 0.060 0.000 0.317 550 H C -1.412 173.972 175.328 0.093 0.000 1.080 550 H CA -0.441 55.741 56.048 0.224 0.000 1.301 550 H CB 0.707 30.696 29.762 0.378 0.000 1.425 550 H HN 0.420 nan 8.280 nan 0.000 0.471 551 V N 6.477 126.226 119.914 -0.276 0.000 2.495 551 V HA 0.392 4.548 4.120 0.060 0.000 0.298 551 V C -0.686 175.241 176.094 -0.277 0.000 1.031 551 V CA -0.786 61.368 62.300 -0.244 0.000 0.871 551 V CB 1.710 33.416 31.823 -0.196 0.000 0.988 551 V HN 0.594 nan 8.190 nan 0.000 0.432 552 V N 6.023 125.860 119.914 -0.128 0.000 2.577 552 V HA 0.514 4.670 4.120 0.060 0.000 0.303 552 V C -0.545 175.580 176.094 0.051 0.000 1.042 552 V CA -0.502 61.762 62.300 -0.060 0.000 0.872 552 V CB 1.983 33.758 31.823 -0.081 0.000 0.998 552 V HN 0.654 nan 8.190 nan 0.000 0.423 553 L N 4.715 125.963 121.223 0.040 0.000 2.313 553 L HA 0.752 5.128 4.340 0.060 0.000 0.283 553 L C 0.136 177.009 176.870 0.006 0.000 1.013 553 L CA -0.334 54.548 54.840 0.070 0.000 0.816 553 L CB 2.068 44.211 42.059 0.140 0.000 1.236 553 L HN 0.788 nan 8.230 nan 0.000 0.419 554 T N 0.835 115.356 114.554 -0.054 0.000 2.841 554 T HA 0.677 5.063 4.350 0.060 0.000 0.283 554 T C -0.499 173.977 174.700 -0.374 0.000 1.000 554 T CA -0.716 61.252 62.100 -0.219 0.000 0.977 554 T CB 2.391 71.217 68.868 -0.069 0.000 0.979 554 T HN 0.420 nan 8.240 nan 0.000 0.446 555 M N 2.696 121.899 119.600 -0.661 0.000 2.213 555 M HA 0.723 5.239 4.480 0.060 0.000 0.286 555 M C -1.721 174.338 176.300 -0.401 0.000 1.008 555 M CA -0.418 54.546 55.300 -0.560 0.000 0.937 555 M CB 1.277 33.372 32.600 -0.842 0.000 1.600 555 M HN 1.196 nan 8.290 nan 0.000 0.450 556 A N 3.552 126.213 122.820 -0.266 0.000 2.608 556 A HA 0.633 4.989 4.320 0.060 0.000 0.292 556 A C -0.687 176.775 177.584 -0.203 0.000 1.066 556 A CA -0.447 51.428 52.037 -0.270 0.000 0.676 556 A CB 0.846 19.692 19.000 -0.257 0.000 1.277 556 A HN 0.850 nan 8.150 nan 0.000 0.413 557 D N 0.631 120.898 120.400 -0.223 0.000 2.751 557 D HA -0.195 4.481 4.640 0.060 0.000 0.233 557 D C 0.565 176.815 176.300 -0.084 0.000 1.149 557 D CA 1.535 55.458 54.000 -0.128 0.000 0.682 557 D CB -0.847 39.894 40.800 -0.098 0.000 1.068 557 D HN 0.857 nan 8.370 nan 0.000 0.429 558 R N -2.336 118.115 120.500 -0.081 0.000 4.000 558 R HA -0.257 4.118 4.340 0.060 0.000 0.362 558 R C 0.291 176.565 176.300 -0.044 0.000 1.183 558 R CA 1.387 57.462 56.100 -0.042 0.000 1.011 558 R CB -1.476 28.814 30.300 -0.016 0.000 1.501 558 R HN 0.490 nan 8.270 nan 0.000 0.553 559 Q N -0.674 119.083 119.800 -0.071 0.000 2.297 559 Q HA 0.697 5.073 4.340 0.060 0.000 0.268 559 Q C 0.178 176.138 176.000 -0.068 0.000 1.045 559 Q CA -0.362 55.401 55.803 -0.065 0.000 0.861 559 Q CB 2.437 31.128 28.738 -0.078 0.000 1.344 559 Q HN 0.232 nan 8.270 nan 0.000 0.452 560 G N 0.143 108.927 108.800 -0.026 0.000 2.638 560 G HA2 0.611 4.607 3.960 0.060 0.000 0.302 560 G HA3 0.611 4.607 3.960 0.060 0.000 0.302 560 G C -1.221 173.723 174.900 0.073 0.000 1.365 560 G CA -0.341 44.770 45.100 0.020 0.000 0.987 560 G HN 0.405 nan 8.290 nan 0.000 0.495 561 S N -0.870 114.865 115.700 0.059 0.000 2.570 561 S HA 0.747 5.253 4.470 0.060 0.000 0.286 561 S C -0.783 173.842 174.600 0.042 0.000 1.099 561 S CA -0.607 57.615 58.200 0.036 0.000 0.913 561 S CB 2.182 65.326 63.200 -0.094 0.000 1.085 561 S HN 0.632 nan 8.310 nan 0.000 0.480 562 V N 2.696 122.582 119.914 -0.047 0.000 2.483 562 V HA 0.467 4.623 4.120 0.060 0.000 0.297 562 V C -1.689 174.263 176.094 -0.236 0.000 1.027 562 V CA -0.629 61.621 62.300 -0.085 0.000 0.855 562 V CB 0.969 32.712 31.823 -0.134 0.000 0.995 562 V HN 0.849 nan 8.190 nan 0.000 0.424 563 Y N 3.040 123.261 120.300 -0.130 0.000 2.360 563 Y HA 0.687 5.273 4.550 0.060 0.000 0.337 563 Y C 0.061 175.830 175.900 -0.219 0.000 1.039 563 Y CA -0.910 57.104 58.100 -0.143 0.000 1.109 563 Y CB 2.068 40.470 38.460 -0.097 0.000 1.201 563 Y HN 0.357 nan 8.280 nan 0.000 0.458 564 V N 3.295 123.138 119.914 -0.117 0.000 2.448 564 V HA 0.236 4.392 4.120 0.060 0.000 0.295 564 V C -0.656 175.382 176.094 -0.094 0.000 1.025 564 V CA -1.149 61.037 62.300 -0.190 0.000 0.859 564 V CB 1.447 33.002 31.823 -0.448 0.000 0.988 564 V HN 0.865 nan 8.190 nan 0.000 0.431 565 D N 4.288 124.641 120.400 -0.078 0.000 2.708 565 D HA -0.190 4.486 4.640 0.060 0.000 0.236 565 D C 1.322 177.067 176.300 -0.924 0.000 1.146 565 D CA 1.763 55.430 54.000 -0.555 0.000 0.662 565 D CB -1.082 39.550 40.800 -0.280 0.000 1.059 565 D HN 1.423 nan 8.370 nan 0.000 0.428 566 G N -1.096 107.449 108.800 -0.425 0.000 2.184 566 G HA2 -0.333 3.663 3.960 0.060 0.000 0.264 566 G HA3 -0.333 3.663 3.960 0.060 0.000 0.264 566 G C 0.079 174.992 174.900 0.022 0.000 0.975 566 G CA 0.459 45.426 45.100 -0.222 0.000 0.642 566 G HN 0.416 nan 8.290 nan 0.000 0.536 567 Q N 0.365 120.188 119.800 0.038 0.000 2.353 567 Q HA 0.456 4.832 4.340 0.060 0.000 0.268 567 Q C -2.643 173.337 176.000 -0.033 0.000 1.045 567 Q CA -2.050 53.791 55.803 0.063 0.000 0.811 567 Q CB 2.731 31.459 28.738 -0.016 0.000 1.305 567 Q HN 0.268 nan 8.270 nan 0.000 0.447 568 P HA 0.121 nan 4.420 nan 0.000 0.271 568 P C -0.209 176.938 177.300 -0.255 0.000 1.216 568 P CA -0.034 62.740 63.100 -0.543 0.000 0.771 568 P CB 0.764 32.122 31.700 -0.570 0.000 0.864 569 L N 2.043 123.136 121.223 -0.217 0.000 2.436 569 L HA 0.350 4.726 4.340 0.060 0.000 0.265 569 L C 1.231 178.086 176.870 -0.025 0.000 1.168 569 L CA -0.926 53.869 54.840 -0.074 0.000 0.815 569 L CB 0.247 42.281 42.059 -0.041 0.000 1.109 569 L HN 0.406 nan 8.230 nan 0.000 0.462 570 A N 1.470 124.302 122.820 0.019 0.000 2.587 570 A HA 0.352 4.708 4.320 0.060 0.000 0.235 570 A C 1.191 178.788 177.584 0.020 0.000 1.044 570 A CA 0.781 52.823 52.037 0.008 0.000 0.754 570 A CB -0.366 18.656 19.000 0.037 0.000 0.968 570 A HN 1.144 nan 8.150 nan 0.000 0.509 571 G N 1.456 110.176 108.800 -0.133 0.000 2.213 571 G HA2 -0.197 3.798 3.960 0.060 0.000 0.236 571 G HA3 -0.197 3.798 3.960 0.060 0.000 0.236 571 G C 0.544 174.954 174.900 -0.818 0.000 0.991 571 G CA 0.311 45.166 45.100 -0.409 0.000 0.629 571 G HN 1.261 nan 8.290 nan 0.000 0.517 572 S N 0.318 115.760 115.700 -0.429 0.000 2.560 572 S HA 0.458 4.964 4.470 0.060 0.000 0.284 572 S C 1.544 175.961 174.600 -0.306 0.000 1.327 572 S CA 1.447 59.441 58.200 -0.343 0.000 1.055 572 S CB 1.134 64.188 63.200 -0.244 0.000 0.868 572 S HN 2.107 nan 8.310 nan 0.000 0.506 573 G N 2.935 111.588 108.800 -0.244 0.000 2.194 573 G HA2 -0.228 3.768 3.960 0.060 0.000 0.236 573 G HA3 -0.228 3.768 3.960 0.060 0.000 0.236 573 G C -0.103 174.685 174.900 -0.186 0.000 0.987 573 G CA -0.277 44.718 45.100 -0.175 0.000 0.635 573 G HN 0.677 nan 8.290 nan 0.000 0.520 574 N N 0.993 119.519 118.700 -0.289 0.000 2.479 574 N HA 0.373 5.149 4.740 0.060 0.000 0.257 574 N C 0.169 175.611 175.510 -0.114 0.000 1.232 574 N CA 0.478 53.391 53.050 -0.229 0.000 0.920 574 N CB 0.396 38.677 38.487 -0.344 0.000 1.105 574 N HN 0.116 nan 8.380 nan 0.000 0.444 575 T N 0.897 115.408 114.554 -0.070 0.000 2.853 575 T HA 0.070 4.455 4.350 0.060 0.000 0.298 575 T C 1.550 176.253 174.700 0.004 0.000 0.978 575 T CA -0.418 61.663 62.100 -0.032 0.000 1.152 575 T CB 0.628 69.481 68.868 -0.025 0.000 0.914 575 T HN 0.440 nan 8.240 nan 0.000 0.539 576 V N 2.060 121.987 119.914 0.022 0.000 3.621 576 V HA 0.452 4.608 4.120 0.060 0.000 0.263 576 V C 0.551 176.672 176.094 0.045 0.000 1.272 576 V CA -0.054 62.280 62.300 0.057 0.000 1.080 576 V CB 0.243 32.117 31.823 0.085 0.000 0.816 576 V HN 0.536 nan 8.190 nan 0.000 0.451 577 V N 1.257 121.187 119.914 0.027 0.000 2.638 577 V HA 0.770 4.926 4.120 0.060 0.000 0.306 577 V C -0.792 175.313 176.094 0.017 0.000 1.052 577 V CA -0.652 61.663 62.300 0.026 0.000 0.885 577 V CB 2.093 33.934 31.823 0.029 0.000 0.999 577 V HN 0.507 nan 8.190 nan 0.000 0.424 578 R N 3.653 124.163 120.500 0.016 0.000 2.474 578 R HA 0.884 5.260 4.340 0.060 0.000 0.295 578 R C 0.255 176.562 176.300 0.013 0.000 0.980 578 R CA 0.906 57.014 56.100 0.012 0.000 0.934 578 R CB 1.443 31.750 30.300 0.011 0.000 1.101 578 R HN 1.651 nan 8.270 nan 0.000 0.469 579 G N 0.838 109.645 108.800 0.011 0.000 2.592 579 G HA2 0.033 4.029 3.960 0.060 0.000 0.684 579 G HA3 0.033 4.029 3.960 0.060 0.000 0.684 579 G C -0.150 174.759 174.900 0.015 0.000 1.291 579 G CA -0.348 44.759 45.100 0.012 0.000 0.891 579 G HN 0.678 nan 8.290 nan 0.000 0.544 580 A N -0.758 122.071 122.820 0.014 0.000 2.308 580 A HA 0.583 4.939 4.320 0.060 0.000 0.217 580 A C 1.278 178.870 177.584 0.014 0.000 1.216 580 A CA 1.782 53.829 52.037 0.017 0.000 0.864 580 A CB -0.002 19.006 19.000 0.014 0.000 0.902 580 A HN 1.421 nan 8.150 nan 0.000 0.499 581 T N 1.474 116.035 114.554 0.012 0.000 2.832 581 T HA 0.428 4.814 4.350 0.060 0.000 0.296 581 T C 0.172 174.879 174.700 0.012 0.000 0.968 581 T CA -0.189 61.916 62.100 0.008 0.000 1.107 581 T CB 0.798 69.671 68.868 0.009 0.000 0.916 581 T HN 0.249 nan 8.240 nan 0.000 0.517 582 L N 5.777 127.003 121.223 0.005 0.000 2.490 582 L HA 0.177 4.553 4.340 0.060 0.000 0.274 582 L C -1.264 175.612 176.870 0.011 0.000 1.201 582 L CA -1.537 53.311 54.840 0.014 0.000 0.869 582 L CB 0.135 42.188 42.059 -0.009 0.000 1.123 582 L HN 0.448 nan 8.230 nan 0.000 0.484 583 P HA 0.049 nan 4.420 nan 0.000 0.274 583 P C -1.075 176.218 177.300 -0.013 0.000 1.260 583 P CA -0.274 62.831 63.100 0.009 0.000 0.793 583 P CB 0.659 32.372 31.700 0.022 0.000 1.048 584 D N 0.146 120.530 120.400 -0.027 0.000 2.400 584 D HA 0.309 4.985 4.640 0.060 0.000 0.272 584 D C -0.313 175.941 176.300 -0.077 0.000 1.220 584 D CA -0.434 53.536 54.000 -0.050 0.000 0.897 584 D CB -0.606 40.174 40.800 -0.034 0.000 1.134 584 D HN 0.158 nan 8.370 nan 0.000 0.507 585 I N 2.100 122.593 120.570 -0.128 0.000 2.598 585 I HA -0.028 4.178 4.170 0.060 0.000 0.284 585 I C 1.860 177.857 176.117 -0.200 0.000 1.140 585 I CA 0.103 61.280 61.300 -0.205 0.000 1.420 585 I CB 1.131 38.914 38.000 -0.361 0.000 1.387 585 I HN 0.330 nan 8.210 nan 0.000 0.553 586 S N 5.504 121.130 115.700 -0.123 0.000 2.377 586 S HA -0.028 4.478 4.470 0.060 0.000 0.223 586 S C 0.426 175.049 174.600 0.037 0.000 1.030 586 S CA 0.541 58.744 58.200 0.005 0.000 0.970 586 S CB -0.095 63.214 63.200 0.182 0.000 0.830 586 S HN 0.822 nan 8.310 nan 0.000 0.473 587 H N -1.611 117.317 119.070 -0.238 0.000 2.969 587 H HA 0.444 5.036 4.556 0.060 0.000 0.304 587 H C -1.940 173.199 175.328 -0.315 0.000 1.400 587 H CA -1.440 54.467 56.048 -0.235 0.000 1.182 587 H CB -0.259 29.497 29.762 -0.010 0.000 1.865 587 H HN 0.193 nan 8.280 nan 0.000 0.512 588 F N 1.646 121.603 119.950 0.013 0.000 2.404 588 F HA 0.365 4.928 4.527 0.060 0.000 0.339 588 F C 0.009 175.897 175.800 0.147 0.000 1.105 588 F CA -0.890 57.054 58.000 -0.092 0.000 1.087 588 F CB 1.053 40.036 39.000 -0.028 0.000 1.143 588 F HN 0.448 nan 8.300 nan 0.000 0.491 589 Y N 0.829 121.252 120.300 0.206 0.000 2.409 589 Y HA 0.837 5.423 4.550 0.060 0.000 0.339 589 Y C -1.150 174.860 175.900 0.183 0.000 1.033 589 Y CA -1.813 56.427 58.100 0.233 0.000 1.094 589 Y CB 0.910 39.477 38.460 0.178 0.000 1.210 589 Y HN 0.397 nan 8.280 nan 0.000 0.456 590 I N 3.859 124.590 120.570 0.268 0.000 2.447 590 I HA 0.651 4.857 4.170 0.060 0.000 0.287 590 I C 0.567 176.740 176.117 0.093 0.000 1.023 590 I CA -0.285 61.137 61.300 0.202 0.000 1.083 590 I CB 1.498 39.668 38.000 0.283 0.000 1.245 590 I HN 1.151 nan 8.210 nan 0.000 0.434 591 G N 4.587 113.481 108.800 0.157 0.000 2.512 591 G HA2 -0.123 3.873 3.960 0.060 0.000 0.254 591 G HA3 -0.123 3.873 3.960 0.060 0.000 0.254 591 G C 0.262 175.216 174.900 0.092 0.000 1.199 591 G CA -0.125 44.999 45.100 0.039 0.000 0.941 591 G HN 1.118 nan 8.290 nan 0.000 0.569 592 G N 1.158 109.932 108.800 -0.043 0.000 4.943 592 G HA2 0.721 4.717 3.960 0.060 0.000 0.315 592 G HA3 0.721 4.717 3.960 0.060 0.000 0.315 592 G C -2.081 172.778 174.900 -0.068 0.000 1.437 592 G CA 0.058 45.147 45.100 -0.019 0.000 1.027 592 G HN 0.658 nan 8.290 nan 0.000 0.567 593 P HA 0.445 nan 4.420 nan 0.000 0.271 593 P C -0.642 176.629 177.300 -0.049 0.000 1.218 593 P CA -0.099 62.966 63.100 -0.057 0.000 0.780 593 P CB 1.492 33.185 31.700 -0.011 0.000 0.901 594 R N -0.452 120.018 120.500 -0.051 0.000 2.728 594 R HA 0.428 4.804 4.340 0.060 0.000 0.259 594 R C -0.109 176.165 176.300 -0.044 0.000 1.057 594 R CA -0.725 55.343 56.100 -0.054 0.000 0.908 594 R CB -0.609 29.659 30.300 -0.053 0.000 1.259 594 R HN 0.314 nan 8.270 nan 0.000 0.472 595 S N -0.765 114.908 115.700 -0.046 0.000 2.603 595 S HA 0.320 4.826 4.470 0.060 0.000 0.232 595 S C 0.052 174.634 174.600 -0.030 0.000 1.016 595 S CA 0.104 58.283 58.200 -0.035 0.000 0.976 595 S CB -0.255 62.922 63.200 -0.039 0.000 0.921 595 S HN 0.795 nan 8.310 nan 0.000 0.516 596 K N -1.081 119.300 120.400 -0.033 0.000 2.614 596 K HA 0.661 5.017 4.320 0.060 0.000 0.293 596 K C 0.330 176.913 176.600 -0.029 0.000 1.045 596 K CA -0.606 55.664 56.287 -0.027 0.000 0.880 596 K CB 0.287 32.771 32.500 -0.027 0.000 1.552 596 K HN 0.602 nan 8.250 nan 0.000 0.404 597 G N 0.161 108.946 108.800 -0.025 0.000 2.553 597 G HA2 0.040 4.036 3.960 0.060 0.000 0.242 597 G HA3 0.040 4.036 3.960 0.060 0.000 0.242 597 G C -0.041 174.844 174.900 -0.025 0.000 1.277 597 G CA -0.093 44.992 45.100 -0.026 0.000 0.910 597 G HN 1.268 nan 8.290 nan 0.000 0.576 598 A N 1.276 124.079 122.820 -0.028 0.000 2.520 598 A HA 0.544 4.900 4.320 0.060 0.000 0.235 598 A C -0.962 176.607 177.584 -0.024 0.000 1.065 598 A CA 0.398 52.420 52.037 -0.026 0.000 0.764 598 A CB 0.062 19.044 19.000 -0.031 0.000 1.002 598 A HN 0.856 nan 8.150 nan 0.000 0.502 599 P HA 0.111 nan 4.420 nan 0.000 0.220 599 P C -0.274 177.021 177.300 -0.008 0.000 1.806 599 P CA -0.113 62.981 63.100 -0.011 0.000 0.976 599 P CB -0.768 30.929 31.700 -0.004 0.000 1.952 600 T N 1.417 115.960 114.554 -0.018 0.000 2.933 600 T HA 0.004 4.389 4.350 0.060 0.000 0.306 600 T C 0.304 175.007 174.700 0.006 0.000 1.045 600 T CA 0.884 62.974 62.100 -0.016 0.000 1.143 600 T CB 0.078 68.924 68.868 -0.037 0.000 1.003 600 T HN 0.232 nan 8.240 nan 0.000 0.540 601 D N 1.873 122.289 120.400 0.027 0.000 2.472 601 D HA 0.144 4.820 4.640 0.060 0.000 0.248 601 D C -0.772 175.589 176.300 0.102 0.000 1.271 601 D CA -0.422 53.613 54.000 0.059 0.000 0.888 601 D CB 0.507 41.340 40.800 0.056 0.000 1.337 601 D HN 0.310 nan 8.370 nan 0.000 0.526 602 S N 2.524 118.301 115.700 0.129 0.000 2.422 602 S HA 0.276 4.782 4.470 0.060 0.000 0.283 602 S C 0.482 175.238 174.600 0.259 0.000 1.163 602 S CA -0.543 57.798 58.200 0.236 0.000 1.054 602 S CB 0.749 64.106 63.200 0.261 0.000 0.967 602 S HN 0.174 nan 8.310 nan 0.000 0.499 603 R N 3.292 123.943 120.500 0.251 0.000 2.870 603 R HA 0.281 4.657 4.340 0.060 0.000 0.254 603 R C -0.148 176.231 176.300 0.132 0.000 1.392 603 R CA -0.121 56.089 56.100 0.184 0.000 1.322 603 R CB -0.533 29.857 30.300 0.150 0.000 1.205 603 R HN 0.533 nan 8.270 nan 0.000 0.597 604 V N -1.755 118.261 119.914 0.170 0.000 3.159 604 V HA 0.690 4.846 4.120 0.060 0.000 0.308 604 V C -0.283 175.876 176.094 0.109 0.000 1.190 604 V CA -0.761 61.600 62.300 0.101 0.000 1.037 604 V CB 2.645 34.532 31.823 0.108 0.000 1.060 604 V HN 0.307 nan 8.190 nan 0.000 0.437 605 T N 1.858 116.436 114.554 0.040 0.000 2.841 605 T HA 0.733 5.119 4.350 0.060 0.000 0.285 605 T C -0.795 173.930 174.700 0.041 0.000 0.991 605 T CA -0.371 61.697 62.100 -0.053 0.000 0.966 605 T CB 1.461 70.299 68.868 -0.052 0.000 0.962 605 T HN 0.831 nan 8.240 nan 0.000 0.438 606 V N 3.816 123.761 119.914 0.051 0.000 2.588 606 V HA 0.789 4.945 4.120 0.060 0.000 0.304 606 V C 0.146 176.399 176.094 0.266 0.000 1.042 606 V CA -0.865 61.570 62.300 0.224 0.000 0.877 606 V CB 1.989 34.068 31.823 0.427 0.000 0.996 606 V HN 1.089 nan 8.190 nan 0.000 0.425 607 T N 0.122 114.832 114.554 0.259 0.000 2.906 607 T HA 0.548 4.934 4.350 0.060 0.000 0.295 607 T C -0.236 174.628 174.700 0.273 0.000 1.075 607 T CA -0.841 61.430 62.100 0.286 0.000 1.005 607 T CB 1.243 70.222 68.868 0.185 0.000 1.136 607 T HN 0.722 nan 8.240 nan 0.000 0.498 608 N N -0.243 118.621 118.700 0.274 0.000 2.641 608 N HA -0.103 4.673 4.740 0.060 0.000 0.267 608 N C -0.649 175.039 175.510 0.297 0.000 1.087 608 N CA 0.032 53.287 53.050 0.342 0.000 0.731 608 N CB -1.013 37.718 38.487 0.406 0.000 0.886 608 N HN 0.580 nan 8.380 nan 0.000 0.547 609 V N 1.235 121.204 119.914 0.092 0.000 2.432 609 V HA 0.377 4.532 4.120 0.060 0.000 0.271 609 V C 0.714 176.913 176.094 0.175 0.000 1.046 609 V CA -0.451 61.848 62.300 -0.001 0.000 0.945 609 V CB 1.408 33.023 31.823 -0.347 0.000 0.992 609 V HN 0.118 nan 8.190 nan 0.000 0.471 610 V N 6.118 126.138 119.914 0.175 0.000 2.604 610 V HA 0.587 4.743 4.120 0.060 0.000 0.305 610 V C -0.508 175.613 176.094 0.046 0.000 1.043 610 V CA -0.756 61.613 62.300 0.115 0.000 0.888 610 V CB 1.870 33.667 31.823 -0.042 0.000 0.995 610 V HN 0.666 nan 8.190 nan 0.000 0.429 611 L N 4.677 125.835 121.223 -0.108 0.000 2.356 611 L HA 0.715 5.091 4.340 0.060 0.000 0.277 611 L C -1.495 175.113 176.870 -0.438 0.000 0.996 611 L CA -0.125 54.555 54.840 -0.266 0.000 0.822 611 L CB 1.504 43.214 42.059 -0.582 0.000 1.256 611 L HN 0.573 nan 8.230 nan 0.000 0.413 612 Y N 2.610 122.806 120.300 -0.173 0.000 2.468 612 Y HA 0.382 4.968 4.550 0.060 0.000 0.342 612 Y C 0.688 176.438 175.900 -0.249 0.000 1.021 612 Y CA -0.706 57.259 58.100 -0.225 0.000 1.079 612 Y CB 1.493 39.854 38.460 -0.166 0.000 1.226 612 Y HN 0.708 nan 8.280 nan 0.000 0.460 613 N N 1.814 120.283 118.700 -0.386 0.000 2.346 613 N HA 0.109 4.884 4.740 0.060 0.000 0.225 613 N C -0.578 174.820 175.510 -0.187 0.000 1.144 613 N CA -0.354 52.290 53.050 -0.677 0.000 0.837 613 N CB -0.034 37.608 38.487 -1.410 0.000 1.069 613 N HN 0.771 nan 8.380 nan 0.000 0.487 614 R N -2.330 118.137 120.500 -0.054 0.000 2.766 614 R HA 0.449 4.825 4.340 0.060 0.000 0.270 614 R C -1.105 175.143 176.300 -0.085 0.000 1.035 614 R CA -1.046 55.017 56.100 -0.061 0.000 0.911 614 R CB 0.838 31.092 30.300 -0.076 0.000 1.243 614 R HN -0.180 nan 8.270 nan 0.000 0.460 615 R N 2.195 122.618 120.500 -0.128 0.000 2.205 615 R HA 0.289 4.665 4.340 0.060 0.000 0.342 615 R C -0.469 175.724 176.300 -0.179 0.000 1.058 615 R CA -0.378 55.626 56.100 -0.160 0.000 0.904 615 R CB -0.018 30.186 30.300 -0.160 0.000 1.089 615 R HN 0.618 nan 8.270 nan 0.000 0.471 616 L N 4.367 125.446 121.223 -0.239 0.000 2.456 616 L HA -0.028 4.348 4.340 0.060 0.000 0.272 616 L C 0.965 177.696 176.870 -0.232 0.000 1.189 616 L CA -0.104 54.560 54.840 -0.294 0.000 0.846 616 L CB 0.193 41.998 42.059 -0.424 0.000 1.111 616 L HN 0.663 nan 8.230 nan 0.000 0.475 617 N N 0.242 118.826 118.700 -0.195 0.000 2.381 617 N HA 0.021 4.797 4.740 0.060 0.000 0.254 617 N C 0.832 176.237 175.510 -0.175 0.000 1.264 617 N CA -0.063 52.898 53.050 -0.150 0.000 0.942 617 N CB 0.497 38.919 38.487 -0.108 0.000 1.190 617 N HN 0.564 nan 8.380 nan 0.000 0.495 618 S N -1.075 114.548 115.700 -0.128 0.000 2.399 618 S HA -0.237 4.269 4.470 0.060 0.000 0.231 618 S C 1.838 176.370 174.600 -0.114 0.000 1.022 618 S CA 1.056 59.178 58.200 -0.131 0.000 0.983 618 S CB -0.918 62.260 63.200 -0.038 0.000 0.803 618 S HN 0.688 nan 8.310 nan 0.000 0.480 619 S N 1.753 117.399 115.700 -0.090 0.000 2.368 619 S HA -0.131 4.375 4.470 0.060 0.000 0.224 619 S C 1.883 176.426 174.600 -0.094 0.000 1.029 619 S CA 1.225 59.381 58.200 -0.073 0.000 0.988 619 S CB -0.510 62.654 63.200 -0.060 0.000 0.838 619 S HN 0.688 nan 8.310 nan 0.000 0.462 620 E N 0.445 120.565 120.200 -0.132 0.000 2.106 620 E HA -0.056 4.330 4.350 0.060 0.000 0.192 620 E C 2.043 178.544 176.600 -0.165 0.000 0.984 620 E CA 1.375 57.678 56.400 -0.161 0.000 0.806 620 E CB -0.238 29.329 29.700 -0.222 0.000 0.750 620 E HN 0.584 nan 8.360 nan 0.000 0.458 621 I N 0.780 121.229 120.570 -0.201 0.000 2.226 621 I HA -0.281 3.925 4.170 0.060 0.000 0.245 621 I C 2.725 178.800 176.117 -0.070 0.000 1.100 621 I CA 1.041 62.226 61.300 -0.192 0.000 1.374 621 I CB -0.243 37.506 38.000 -0.417 0.000 1.057 621 I HN 0.033 nan 8.210 nan 0.000 0.413 622 R N 0.614 121.080 120.500 -0.057 0.000 2.081 622 R HA -0.163 4.213 4.340 0.060 0.000 0.235 622 R C 2.288 178.601 176.300 0.021 0.000 1.131 622 R CA 2.105 58.229 56.100 0.039 0.000 0.960 622 R CB -0.295 30.021 30.300 0.027 0.000 0.856 622 R HN 0.242 nan 8.270 nan 0.000 0.436 623 T N 1.474 116.004 114.554 -0.039 0.000 2.684 623 T HA -0.140 4.246 4.350 0.060 0.000 0.267 623 T C 1.778 176.428 174.700 -0.084 0.000 1.036 623 T CA 1.498 63.560 62.100 -0.063 0.000 1.148 623 T CB -0.154 68.673 68.868 -0.069 0.000 0.863 623 T HN 0.178 nan 8.240 nan 0.000 0.436 624 L N -0.028 121.156 121.223 -0.065 0.000 2.046 624 L HA -0.053 4.323 4.340 0.060 0.000 0.208 624 L C 2.313 179.012 176.870 -0.285 0.000 1.077 624 L CA 1.318 56.127 54.840 -0.051 0.000 0.747 624 L CB -0.560 41.561 42.059 0.105 0.000 0.896 624 L HN 0.227 nan 8.230 nan 0.000 0.432 625 F N 0.947 120.543 119.950 -0.591 0.000 2.095 625 F HA -0.228 4.335 4.527 0.060 0.000 0.298 625 F C 2.094 177.660 175.800 -0.390 0.000 1.104 625 F CA 1.599 59.080 58.000 -0.865 0.000 1.232 625 F CB -0.416 38.329 39.000 -0.425 0.000 0.987 625 F HN -0.113 nan 8.300 nan 0.000 0.475 626 L N 0.093 121.007 121.223 -0.516 0.000 2.291 626 L HA -0.099 4.277 4.340 0.060 0.000 0.214 626 L C 1.998 178.667 176.870 -0.336 0.000 1.120 626 L CA 1.236 55.762 54.840 -0.523 0.000 0.799 626 L CB -0.712 41.186 42.059 -0.268 0.000 0.925 626 L HN 0.373 nan 8.230 nan 0.000 0.446 627 S N -1.735 113.821 115.700 -0.239 0.000 2.593 627 S HA -0.003 4.503 4.470 0.060 0.000 0.236 627 S C 1.559 176.107 174.600 -0.086 0.000 0.991 627 S CA -0.425 57.692 58.200 -0.138 0.000 0.963 627 S CB 0.086 63.231 63.200 -0.092 0.000 0.865 627 S HN 0.524 nan 8.310 nan 0.000 0.488 628 Q N 1.312 121.044 119.800 -0.114 0.000 2.291 628 Q HA -0.135 4.241 4.340 0.060 0.000 0.206 628 Q C 0.343 176.371 176.000 0.048 0.000 0.976 628 Q CA 1.577 57.391 55.803 0.018 0.000 0.875 628 Q CB -0.533 28.257 28.738 0.088 0.000 0.927 628 Q HN 0.371 nan 8.270 nan 0.000 0.450 629 D N 0.097 120.494 120.400 -0.005 0.000 2.340 629 D HA 0.100 4.776 4.640 0.060 0.000 0.220 629 D C 1.137 177.454 176.300 0.029 0.000 1.039 629 D CA 0.524 54.535 54.000 0.017 0.000 0.866 629 D CB 0.249 41.041 40.800 -0.013 0.000 0.913 629 D HN 0.464 nan 8.370 nan 0.000 0.523 630 M N -0.374 119.243 119.600 0.029 0.000 2.367 630 M HA 0.213 4.729 4.480 0.060 0.000 0.256 630 M C 1.834 178.190 176.300 0.092 0.000 1.091 630 M CA 0.215 55.538 55.300 0.038 0.000 1.049 630 M CB 0.599 33.194 32.600 -0.008 0.000 1.406 630 M HN -0.042 nan 8.290 nan 0.000 0.498 631 I N -1.866 118.783 120.570 0.131 0.000 3.603 631 I HA 0.348 4.554 4.170 0.060 0.000 0.297 631 I C 1.093 177.438 176.117 0.380 0.000 1.269 631 I CA -0.373 61.055 61.300 0.213 0.000 1.361 631 I CB -0.620 37.471 38.000 0.152 0.000 1.063 631 I HN 0.014 nan 8.210 nan 0.000 0.448 632 G N 1.475 110.450 108.800 0.292 0.000 2.614 632 G HA2 0.210 4.206 3.960 0.060 0.000 0.239 632 G HA3 0.210 4.206 3.960 0.060 0.000 0.239 632 G C 0.955 175.959 174.900 0.174 0.000 1.240 632 G CA 0.403 45.651 45.100 0.246 0.000 0.842 632 G HN 0.425 nan 8.290 nan 0.000 0.584 633 T N -2.762 111.838 114.554 0.077 0.000 3.129 633 T HA 0.464 4.850 4.350 0.060 0.000 0.251 633 T C 0.808 175.480 174.700 -0.045 0.000 1.117 633 T CA 1.418 63.528 62.100 0.016 0.000 1.034 633 T CB -0.930 67.924 68.868 -0.024 0.000 0.968 633 T HN 1.790 nan 8.240 nan 0.000 0.526 634 D N 0.000 120.335 120.400 -0.109 0.000 6.856 634 D HA 0.000 4.676 4.640 0.060 0.000 0.175 634 D CA 0.000 53.806 54.000 -0.323 0.000 0.868 634 D CB 0.000 40.645 40.800 -0.258 0.000 0.688 634 D HN 0.000 nan 8.370 nan 0.000 0.683