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 1qlv_1_B DATA FIRST_RESID 18 DATA SEQUENCE AQGLATILAI GTATPPNCVA QADYADYYFR VTKSEHMVDL KEKFKRICEK DATA SEQUENCE TAIKKRYLAL TEDYLQENPT MCEFMAPSLN ARQDLVVTGV PMLGKEAAVK DATA SEQUENCE AIDEWGLPKS KITHLIFCTT AGVDMPGADY QLVKLLGLSP SVKRYMLYQQ DATA SEQUENCE GXAAGGTVLR LAKDLAENNK GSRVLIVCSE ITAILFHGPN ENHLDSLVAQ DATA SEQUENCE ALFGDGAAAL IVGSGPHLAV ERPIFEIVST DQTILPDTEK AMKLHLREGG DATA SEQUENCE LTFQLHRDVP LMVAKNIENA AEKALSPLGI TDWNSVFWMV HPGGRAILDQ DATA SEQUENCE VERKLNLKED KLRASRHVLS EYGNLISACV LFIIDEVRKR SMAEGKSTTG DATA SEQUENCE EGLDCGVLFG FGPGMTVETV VLRSVR 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.577 177.584 -0.012 0.000 1.274 18 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 18 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 19 Q N -0.111 119.678 119.800 -0.018 0.000 2.290 19 Q HA 0.510 4.851 4.340 0.001 0.000 0.269 19 Q C -0.247 175.734 176.000 -0.032 0.000 1.016 19 Q CA 0.320 56.110 55.803 -0.022 0.000 0.754 19 Q CB 1.745 30.473 28.738 -0.017 0.000 1.247 19 Q HN 2.659 nan 8.270 nan 0.000 0.451 20 G N 2.022 110.804 108.800 -0.030 0.000 2.555 20 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 20 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 20 G C -1.128 173.751 174.900 -0.035 0.000 1.275 20 G CA -0.966 44.114 45.100 -0.032 0.000 0.871 20 G HN 0.585 nan 8.290 nan 0.000 0.603 21 L N 0.827 122.030 121.223 -0.032 0.000 2.439 21 L HA 0.521 4.862 4.340 0.001 0.000 0.269 21 L C 1.607 178.453 176.870 -0.040 0.000 1.179 21 L CA -0.109 54.710 54.840 -0.035 0.000 0.828 21 L CB 0.858 42.900 42.059 -0.029 0.000 1.106 21 L HN 1.219 nan 8.230 nan 0.000 0.467 22 A N 2.379 125.169 122.820 -0.050 0.000 2.548 22 A HA 0.308 4.629 4.320 0.001 0.000 0.247 22 A C 0.109 177.667 177.584 -0.044 0.000 1.067 22 A CA 0.221 52.222 52.037 -0.059 0.000 0.757 22 A CB -0.303 18.649 19.000 -0.079 0.000 0.996 22 A HN 0.693 nan 8.150 nan 0.000 0.504 23 T N 3.449 117.976 114.554 -0.045 0.000 2.824 23 T HA 0.476 4.827 4.350 0.001 0.000 0.282 23 T C 0.034 174.712 174.700 -0.037 0.000 0.993 23 T CA -0.188 61.897 62.100 -0.025 0.000 0.967 23 T CB 0.917 69.771 68.868 -0.024 0.000 0.960 23 T HN 0.467 nan 8.240 nan 0.000 0.441 24 I N 3.732 124.299 120.570 -0.004 0.000 2.471 24 I HA 0.157 4.328 4.170 0.001 0.000 0.286 24 I C 0.742 176.838 176.117 -0.034 0.000 1.079 24 I CA 0.049 61.340 61.300 -0.016 0.000 1.398 24 I CB 0.672 38.708 38.000 0.061 0.000 1.403 24 I HN 0.584 nan 8.210 nan 0.000 0.530 25 L N 6.516 127.694 121.223 -0.075 0.000 2.781 25 L HA 0.529 4.870 4.340 0.001 0.000 0.245 25 L C 0.432 177.292 176.870 -0.017 0.000 1.118 25 L CA -0.014 54.801 54.840 -0.042 0.000 0.918 25 L CB 0.280 42.309 42.059 -0.048 0.000 1.246 25 L HN 0.703 nan 8.230 nan 0.000 0.526 26 A N 0.820 123.605 122.820 -0.059 0.000 2.582 26 A HA 0.763 5.084 4.320 0.001 0.000 0.297 26 A C -1.490 176.061 177.584 -0.056 0.000 1.059 26 A CA -0.293 51.729 52.037 -0.026 0.000 0.705 26 A CB 1.231 20.247 19.000 0.027 0.000 1.279 26 A HN 0.054 nan 8.150 nan 0.000 0.404 27 I N 1.352 121.891 120.570 -0.052 0.000 2.534 27 I HA 0.623 4.794 4.170 0.001 0.000 0.288 27 I C 0.420 176.474 176.117 -0.105 0.000 1.077 27 I CA -0.513 60.737 61.300 -0.083 0.000 1.051 27 I CB 2.534 40.487 38.000 -0.078 0.000 1.234 27 I HN 0.830 nan 8.210 nan 0.000 0.425 28 G N 2.941 111.663 108.800 -0.130 0.000 2.482 28 G HA2 0.786 4.747 3.960 0.001 0.000 0.317 28 G HA3 0.786 4.747 3.960 0.001 0.000 0.317 28 G C -0.782 173.972 174.900 -0.243 0.000 1.241 28 G CA -0.505 44.506 45.100 -0.148 0.000 0.967 28 G HN 0.559 nan 8.290 nan 0.000 0.482 29 T N -1.980 112.393 114.554 -0.302 0.000 2.906 29 T HA 0.874 5.225 4.350 0.001 0.000 0.295 29 T C -0.362 174.225 174.700 -0.189 0.000 1.075 29 T CA -0.453 61.387 62.100 -0.434 0.000 1.005 29 T CB 2.150 70.363 68.868 -1.091 0.000 1.136 29 T HN 1.751 nan 8.240 nan 0.000 0.498 30 A N 1.147 123.937 122.820 -0.050 0.000 2.606 30 A HA 0.960 5.281 4.320 0.001 0.000 0.293 30 A C -0.168 177.475 177.584 0.098 0.000 1.082 30 A CA -0.655 51.390 52.037 0.014 0.000 0.685 30 A CB 1.520 20.523 19.000 0.005 0.000 1.284 30 A HN 1.640 nan 8.150 nan 0.000 0.408 31 T N -1.032 113.536 114.554 0.024 0.000 2.883 31 T HA 0.829 5.179 4.350 0.001 0.000 0.296 31 T C -3.173 171.537 174.700 0.016 0.000 1.117 31 T CA -1.890 60.217 62.100 0.012 0.000 1.006 31 T CB 1.363 70.137 68.868 -0.156 0.000 1.191 31 T HN 0.368 nan 8.240 nan 0.000 0.508 32 P HA 0.223 nan 4.420 nan 0.000 0.269 32 P C -1.713 175.671 177.300 0.140 0.000 1.215 32 P CA -1.403 61.754 63.100 0.095 0.000 0.780 32 P CB 0.181 31.946 31.700 0.108 0.000 0.898 33 P HA -0.121 nan 4.420 nan 0.000 0.220 33 P C 0.281 177.699 177.300 0.198 0.000 1.152 33 P CA 1.039 64.222 63.100 0.138 0.000 0.812 33 P CB -0.046 31.701 31.700 0.079 0.000 0.792 34 N N 0.636 119.421 118.700 0.143 0.000 2.411 34 N HA -0.034 4.707 4.740 0.001 0.000 0.282 34 N C -0.886 174.657 175.510 0.054 0.000 1.322 34 N CA 0.067 53.163 53.050 0.078 0.000 0.943 34 N CB -0.874 37.635 38.487 0.036 0.000 1.266 34 N HN 0.025 nan 8.380 nan 0.000 0.486 35 C N 4.052 123.328 119.300 -0.040 0.000 2.350 35 C HA 0.676 5.137 4.460 0.001 0.000 0.348 35 C C -0.394 174.443 174.990 -0.256 0.000 1.260 35 C CA -0.457 58.365 59.018 -0.327 0.000 1.966 35 C CB -0.226 27.330 27.740 -0.306 0.000 2.380 35 C HN 0.477 nan 8.230 nan 0.000 0.535 36 V N 5.713 125.450 119.914 -0.295 0.000 2.577 36 V HA 0.599 4.720 4.120 0.001 0.000 0.303 36 V C 0.413 176.415 176.094 -0.153 0.000 1.042 36 V CA -0.500 61.697 62.300 -0.171 0.000 0.872 36 V CB 1.446 33.220 31.823 -0.082 0.000 0.998 36 V HN 1.138 nan 8.190 nan 0.000 0.423 37 A N 2.953 125.716 122.820 -0.096 0.000 2.450 37 A HA 0.360 4.681 4.320 0.001 0.000 0.255 37 A C 1.082 178.653 177.584 -0.022 0.000 1.096 37 A CA -0.042 51.947 52.037 -0.081 0.000 0.778 37 A CB 0.612 19.579 19.000 -0.056 0.000 1.031 37 A HN 0.937 nan 8.150 nan 0.000 0.494 38 Q N 2.932 122.693 119.800 -0.066 0.000 2.181 38 Q HA -0.154 4.187 4.340 0.001 0.000 0.205 38 Q C 1.919 177.926 176.000 0.012 0.000 0.980 38 Q CA 2.493 58.270 55.803 -0.044 0.000 0.862 38 Q CB -0.342 28.330 28.738 -0.109 0.000 0.905 38 Q HN 0.940 nan 8.270 nan 0.000 0.429 39 A N 0.031 122.847 122.820 -0.007 0.000 2.125 39 A HA -0.136 4.185 4.320 0.001 0.000 0.219 39 A C 0.992 178.602 177.584 0.043 0.000 1.156 39 A CA 1.656 53.695 52.037 0.003 0.000 0.671 39 A CB -0.148 18.845 19.000 -0.012 0.000 0.794 39 A HN 0.430 nan 8.150 nan 0.000 0.459 40 D N -2.952 117.496 120.400 0.080 0.000 2.433 40 D HA 0.088 4.729 4.640 0.001 0.000 0.211 40 D C 0.940 177.364 176.300 0.206 0.000 1.114 40 D CA -0.098 53.970 54.000 0.113 0.000 0.837 40 D CB -0.120 40.728 40.800 0.079 0.000 0.984 40 D HN 0.484 nan 8.370 nan 0.000 0.505 41 Y N 2.396 122.765 120.300 0.115 0.000 2.242 41 Y HA -0.108 4.443 4.550 0.001 0.000 0.291 41 Y C 2.335 178.502 175.900 0.445 0.000 1.137 41 Y CA 1.451 59.698 58.100 0.245 0.000 1.181 41 Y CB -0.039 38.503 38.460 0.136 0.000 0.989 41 Y HN -0.009 nan 8.280 nan 0.000 0.527 42 A N -0.274 122.766 122.820 0.367 0.000 1.930 42 A HA -0.156 4.164 4.320 0.001 0.000 0.217 42 A C 1.983 179.850 177.584 0.472 0.000 1.175 42 A CA 1.806 54.204 52.037 0.601 0.000 0.627 42 A CB -0.658 18.594 19.000 0.420 0.000 0.815 42 A HN 0.473 nan 8.150 nan 0.000 0.443 43 D N -1.377 119.185 120.400 0.271 0.000 2.097 43 D HA -0.171 4.470 4.640 0.001 0.000 0.195 43 D C 1.729 178.141 176.300 0.187 0.000 0.989 43 D CA 1.804 55.923 54.000 0.198 0.000 0.827 43 D CB -0.482 40.402 40.800 0.140 0.000 0.966 43 D HN 0.630 nan 8.370 nan 0.000 0.456 44 Y N 0.692 121.023 120.300 0.052 0.000 2.114 44 Y HA -0.316 4.234 4.550 0.001 0.000 0.284 44 Y C 2.401 178.284 175.900 -0.027 0.000 1.143 44 Y CA 1.490 59.584 58.100 -0.009 0.000 1.135 44 Y CB -0.827 37.599 38.460 -0.057 0.000 0.980 44 Y HN -0.037 nan 8.280 nan 0.000 0.499 45 Y N -0.192 119.859 120.300 -0.415 0.000 2.128 45 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 45 Y C 1.937 177.614 175.900 -0.372 0.000 1.154 45 Y CA 2.116 59.903 58.100 -0.521 0.000 1.149 45 Y CB -1.080 37.125 38.460 -0.426 0.000 0.976 45 Y HN 0.182 nan 8.280 nan 0.000 0.505 46 F N -0.054 119.739 119.950 -0.262 0.000 2.325 46 F HA -0.025 4.503 4.527 0.001 0.000 0.299 46 F C 2.713 178.372 175.800 -0.234 0.000 1.090 46 F CA 1.385 59.204 58.000 -0.301 0.000 1.392 46 F CB -0.363 38.581 39.000 -0.094 0.000 1.053 46 F HN -0.062 nan 8.300 nan 0.000 0.521 47 R N -0.011 120.468 120.500 -0.035 0.000 2.062 47 R HA -0.131 4.209 4.340 0.001 0.000 0.231 47 R C 2.234 178.436 176.300 -0.162 0.000 1.136 47 R CA 1.560 57.623 56.100 -0.061 0.000 0.948 47 R CB -0.734 29.551 30.300 -0.025 0.000 0.845 47 R HN 0.139 nan 8.270 nan 0.000 0.430 48 V N 0.831 120.544 119.914 -0.335 0.000 2.407 48 V HA -0.193 3.927 4.120 0.001 0.000 0.248 48 V C 2.075 178.015 176.094 -0.256 0.000 1.055 48 V CA 2.242 64.333 62.300 -0.350 0.000 1.049 48 V CB -0.281 31.133 31.823 -0.683 0.000 0.662 48 V HN 0.682 nan 8.190 nan 0.000 0.455 49 T N -3.208 111.137 114.554 -0.348 0.000 3.194 49 T HA 0.043 4.394 4.350 0.001 0.000 0.251 49 T C 0.777 175.365 174.700 -0.186 0.000 1.132 49 T CA 0.108 62.031 62.100 -0.295 0.000 1.028 49 T CB -0.328 68.192 68.868 -0.579 0.000 0.976 49 T HN 0.595 nan 8.240 nan 0.000 0.535 50 K N 0.210 120.533 120.400 -0.129 0.000 3.117 50 K HA -0.127 4.194 4.320 0.001 0.000 0.269 50 K C 0.125 176.755 176.600 0.050 0.000 1.098 50 K CA 0.634 56.901 56.287 -0.033 0.000 0.785 50 K CB -2.281 30.204 32.500 -0.026 0.000 1.242 50 K HN 0.401 nan 8.250 nan 0.000 0.491 51 S N 0.085 115.816 115.700 0.051 0.000 2.651 51 S HA 0.093 4.564 4.470 0.001 0.000 0.246 51 S C 0.901 175.637 174.600 0.227 0.000 1.039 51 S CA -0.407 57.888 58.200 0.158 0.000 1.013 51 S CB 0.524 63.706 63.200 -0.030 0.000 0.861 51 S HN 0.295 nan 8.310 nan 0.000 0.485 52 E N 1.476 121.798 120.200 0.203 0.000 2.347 52 E HA -0.122 4.229 4.350 0.001 0.000 0.196 52 E C 1.851 178.488 176.600 0.062 0.000 1.008 52 E CA 0.684 57.153 56.400 0.114 0.000 0.852 52 E CB 0.025 29.776 29.700 0.085 0.000 0.783 52 E HN 0.660 nan 8.360 nan 0.000 0.505 53 H N -0.386 118.706 119.070 0.036 0.000 2.521 53 H HA -0.039 4.518 4.556 0.001 0.000 0.286 53 H C 0.572 175.909 175.328 0.014 0.000 1.034 53 H CA 0.547 56.605 56.048 0.017 0.000 1.278 53 H CB -0.382 29.391 29.762 0.018 0.000 1.386 53 H HN 0.171 nan 8.280 nan 0.000 0.567 54 M N 2.911 122.152 119.600 -0.597 0.000 3.596 54 M HA 0.065 4.545 4.480 0.001 0.000 0.219 54 M C 1.631 177.775 176.300 -0.261 0.000 1.471 54 M CA -0.285 54.783 55.300 -0.386 0.000 1.644 54 M CB 0.797 33.243 32.600 -0.256 0.000 1.083 54 M HN 0.161 nan 8.290 nan 0.000 0.579 55 V N -0.730 119.072 119.914 -0.187 0.000 2.379 55 V HA -0.174 3.947 4.120 0.001 0.000 0.245 55 V C 1.516 177.509 176.094 -0.169 0.000 1.044 55 V CA 2.061 64.249 62.300 -0.186 0.000 1.036 55 V CB -0.134 31.626 31.823 -0.104 0.000 0.664 55 V HN 0.509 nan 8.190 nan 0.000 0.453 56 D N 0.371 120.708 120.400 -0.105 0.000 2.149 56 D HA -0.136 4.504 4.640 0.001 0.000 0.198 56 D C 2.036 178.297 176.300 -0.065 0.000 0.990 56 D CA 1.704 55.663 54.000 -0.068 0.000 0.839 56 D CB -0.368 40.411 40.800 -0.035 0.000 0.948 56 D HN 0.471 nan 8.370 nan 0.000 0.460 57 L N 1.410 122.589 121.223 -0.074 0.000 2.017 57 L HA -0.141 4.199 4.340 0.001 0.000 0.208 57 L C 2.059 178.872 176.870 -0.095 0.000 1.073 57 L CA 1.806 56.650 54.840 0.008 0.000 0.745 57 L CB -0.715 41.411 42.059 0.112 0.000 0.894 57 L HN -0.100 nan 8.230 nan 0.000 0.432 58 K N -0.766 119.299 120.400 -0.559 0.000 2.103 58 K HA -0.176 4.145 4.320 0.001 0.000 0.207 58 K C 1.853 178.320 176.600 -0.221 0.000 1.048 58 K CA 1.461 57.226 56.287 -0.870 0.000 0.930 58 K CB 0.040 31.924 32.500 -1.027 0.000 0.716 58 K HN 0.454 nan 8.250 nan 0.000 0.444 59 E N 0.680 120.795 120.200 -0.142 0.000 2.051 59 E HA -0.198 4.153 4.350 0.001 0.000 0.192 59 E C 1.997 178.602 176.600 0.009 0.000 0.991 59 E CA 0.836 57.204 56.400 -0.054 0.000 0.799 59 E CB -0.090 29.581 29.700 -0.049 0.000 0.748 59 E HN 0.244 nan 8.360 nan 0.000 0.449 60 K N 0.405 120.831 120.400 0.042 0.000 2.044 60 K HA -0.160 4.160 4.320 0.001 0.000 0.210 60 K C 2.089 178.785 176.600 0.160 0.000 1.049 60 K CA 0.995 57.337 56.287 0.090 0.000 0.927 60 K CB -0.370 32.197 32.500 0.112 0.000 0.713 60 K HN 0.066 nan 8.250 nan 0.000 0.443 61 F N 2.257 122.257 119.950 0.082 0.000 2.186 61 F HA -0.142 4.386 4.527 0.001 0.000 0.299 61 F C 2.086 177.956 175.800 0.116 0.000 1.090 61 F CA 1.355 59.454 58.000 0.166 0.000 1.307 61 F CB -0.025 39.228 39.000 0.422 0.000 1.019 61 F HN -0.092 nan 8.300 nan 0.000 0.489 62 K N 0.133 120.558 120.400 0.042 0.000 2.032 62 K HA -0.208 4.112 4.320 0.001 0.000 0.209 62 K C 2.298 178.833 176.600 -0.109 0.000 1.048 62 K CA 1.596 57.840 56.287 -0.071 0.000 0.927 62 K CB -0.321 32.165 32.500 -0.023 0.000 0.712 62 K HN 0.247 nan 8.250 nan 0.000 0.441 63 R N 0.559 121.026 120.500 -0.054 0.000 2.066 63 R HA -0.023 4.318 4.340 0.001 0.000 0.232 63 R C 2.393 178.648 176.300 -0.076 0.000 1.131 63 R CA 1.132 57.202 56.100 -0.051 0.000 0.955 63 R CB -0.292 29.998 30.300 -0.017 0.000 0.851 63 R HN 0.146 nan 8.270 nan 0.000 0.432 64 I N -0.167 120.360 120.570 -0.073 0.000 2.208 64 I HA -0.408 3.763 4.170 0.001 0.000 0.245 64 I C 2.211 178.218 176.117 -0.184 0.000 1.097 64 I CA 1.128 62.373 61.300 -0.091 0.000 1.363 64 I CB -0.325 37.667 38.000 -0.014 0.000 1.051 64 I HN 0.302 nan 8.210 nan 0.000 0.413 65 C N 0.285 119.390 119.300 -0.325 0.000 2.425 65 C HA -0.116 4.344 4.460 0.001 0.000 0.277 65 C C 2.736 177.619 174.990 -0.178 0.000 1.280 65 C CA 0.489 59.322 59.018 -0.309 0.000 1.744 65 C CB -0.962 26.547 27.740 -0.385 0.000 1.989 65 C HN 0.477 nan 8.230 nan 0.000 0.491 66 E N 1.278 121.395 120.200 -0.138 0.000 2.070 66 E HA -0.169 4.182 4.350 0.001 0.000 0.197 66 E C 1.933 178.483 176.600 -0.083 0.000 1.004 66 E CA 1.181 57.526 56.400 -0.092 0.000 0.805 66 E CB -0.296 29.362 29.700 -0.070 0.000 0.744 66 E HN 0.671 nan 8.360 nan 0.000 0.451 67 K N 0.339 120.689 120.400 -0.083 0.000 2.444 67 K HA 0.040 4.361 4.320 0.001 0.000 0.193 67 K C 1.836 178.390 176.600 -0.077 0.000 1.024 67 K CA 0.761 57.008 56.287 -0.067 0.000 1.077 67 K CB 0.075 32.543 32.500 -0.053 0.000 0.833 67 K HN 0.173 nan 8.250 nan 0.000 0.517 68 T N -1.118 113.375 114.554 -0.101 0.000 2.951 68 T HA 0.064 4.415 4.350 0.001 0.000 0.268 68 T C 1.332 175.974 174.700 -0.096 0.000 1.073 68 T CA 0.677 62.709 62.100 -0.113 0.000 1.134 68 T CB -0.245 68.533 68.868 -0.151 0.000 0.884 68 T HN 0.232 nan 8.240 nan 0.000 0.479 69 A N 0.679 123.448 122.820 -0.085 0.000 2.872 69 A HA -0.117 4.204 4.320 0.001 0.000 0.273 69 A C 0.286 177.819 177.584 -0.085 0.000 1.442 69 A CA 0.792 52.786 52.037 -0.071 0.000 0.801 69 A CB -2.700 16.268 19.000 -0.052 0.000 1.031 69 A HN 0.724 nan 8.150 nan 0.000 0.582 70 I N -0.496 120.010 120.570 -0.107 0.000 2.336 70 I HA 0.230 4.401 4.170 0.001 0.000 0.292 70 I C 1.288 177.329 176.117 -0.127 0.000 0.991 70 I CA -0.364 60.862 61.300 -0.124 0.000 1.227 70 I CB 1.537 39.447 38.000 -0.151 0.000 1.366 70 I HN 0.365 nan 8.210 nan 0.000 0.466 71 K N 6.265 126.584 120.400 -0.134 0.000 2.166 71 K HA 0.067 4.388 4.320 0.001 0.000 0.201 71 K C 0.107 176.614 176.600 -0.155 0.000 1.052 71 K CA 0.990 57.198 56.287 -0.131 0.000 0.969 71 K CB 0.508 32.928 32.500 -0.133 0.000 0.761 71 K HN 0.707 nan 8.250 nan 0.000 0.459 72 K N -0.749 119.534 120.400 -0.197 0.000 2.607 72 K HA 0.405 4.726 4.320 0.001 0.000 0.287 72 K C -1.503 174.926 176.600 -0.286 0.000 0.996 72 K CA -1.048 55.088 56.287 -0.253 0.000 0.876 72 K CB 1.591 33.909 32.500 -0.304 0.000 1.496 72 K HN -0.183 nan 8.250 nan 0.000 0.415 73 R N 0.483 120.774 120.500 -0.349 0.000 2.771 73 R HA 0.399 4.740 4.340 0.001 0.000 0.274 73 R C -1.587 174.449 176.300 -0.439 0.000 0.987 73 R CA -0.758 55.177 56.100 -0.275 0.000 0.908 73 R CB 1.471 31.663 30.300 -0.179 0.000 1.213 73 R HN 0.512 nan 8.270 nan 0.000 0.468 74 Y N 1.982 122.283 120.300 0.001 0.000 2.328 74 Y HA 0.471 5.021 4.550 0.001 0.000 0.337 74 Y C -0.537 175.372 175.900 0.016 0.000 1.008 74 Y CA -0.770 57.343 58.100 0.021 0.000 1.129 74 Y CB 0.990 39.494 38.460 0.074 0.000 1.185 74 Y HN 0.193 nan 8.280 nan 0.000 0.476 75 L N 2.369 123.656 121.223 0.107 0.000 2.376 75 L HA 0.572 4.913 4.340 0.001 0.000 0.275 75 L C 0.841 177.742 176.870 0.051 0.000 0.987 75 L CA -0.439 54.441 54.840 0.068 0.000 0.828 75 L CB 1.790 43.879 42.059 0.049 0.000 1.249 75 L HN 0.757 nan 8.230 nan 0.000 0.409 76 A N 3.325 126.163 122.820 0.031 0.000 2.014 76 A HA 0.061 4.382 4.320 0.001 0.000 0.218 76 A C 0.983 178.530 177.584 -0.061 0.000 1.163 76 A CA 0.582 52.614 52.037 -0.010 0.000 0.652 76 A CB -0.137 18.848 19.000 -0.026 0.000 0.808 76 A HN 0.613 nan 8.150 nan 0.000 0.449 77 L N 2.389 123.574 121.223 -0.064 0.000 2.477 77 L HA 0.172 4.513 4.340 0.001 0.000 0.272 77 L C -0.091 176.763 176.870 -0.027 0.000 1.157 77 L CA 0.155 54.935 54.840 -0.101 0.000 0.889 77 L CB 0.675 42.661 42.059 -0.121 0.000 1.158 77 L HN 0.461 nan 8.230 nan 0.000 0.473 78 T N 0.251 114.812 114.554 0.010 0.000 2.940 78 T HA 0.193 4.543 4.350 0.001 0.000 0.288 78 T C 0.739 175.503 174.700 0.107 0.000 1.045 78 T CA -0.684 61.455 62.100 0.066 0.000 1.018 78 T CB 1.755 70.660 68.868 0.061 0.000 1.151 78 T HN 0.657 nan 8.240 nan 0.000 0.529 79 E N 0.292 120.579 120.200 0.144 0.000 2.153 79 E HA -0.226 4.125 4.350 0.001 0.000 0.194 79 E C 0.971 177.617 176.600 0.078 0.000 0.988 79 E CA 1.559 58.046 56.400 0.145 0.000 0.811 79 E CB -0.181 29.654 29.700 0.225 0.000 0.746 79 E HN 0.568 nan 8.360 nan 0.000 0.466 80 D N -0.256 120.194 120.400 0.083 0.000 2.117 80 D HA -0.176 4.465 4.640 0.001 0.000 0.197 80 D C 1.569 177.900 176.300 0.052 0.000 0.987 80 D CA 1.006 55.041 54.000 0.059 0.000 0.829 80 D CB -0.477 40.363 40.800 0.067 0.000 0.961 80 D HN 0.296 nan 8.370 nan 0.000 0.460 81 Y N 1.216 121.501 120.300 -0.025 0.000 2.165 81 Y HA -0.154 4.397 4.550 0.001 0.000 0.286 81 Y C 2.285 178.149 175.900 -0.060 0.000 1.155 81 Y CA 1.265 59.341 58.100 -0.040 0.000 1.164 81 Y CB -0.290 38.140 38.460 -0.050 0.000 0.978 81 Y HN -0.067 nan 8.280 nan 0.000 0.513 82 L N -0.618 120.612 121.223 0.011 0.000 2.141 82 L HA -0.232 4.109 4.340 0.001 0.000 0.209 82 L C 2.449 179.270 176.870 -0.082 0.000 1.094 82 L CA 0.913 55.713 54.840 -0.068 0.000 0.763 82 L CB -0.511 41.481 42.059 -0.111 0.000 0.908 82 L HN 0.198 nan 8.230 nan 0.000 0.437 83 Q N 0.017 119.777 119.800 -0.066 0.000 2.050 83 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 83 Q C 2.071 178.015 176.000 -0.094 0.000 0.980 83 Q CA 1.571 57.337 55.803 -0.063 0.000 0.840 83 Q CB -0.166 28.549 28.738 -0.037 0.000 0.898 83 Q HN 0.366 nan 8.270 nan 0.000 0.424 84 E N 0.278 120.390 120.200 -0.147 0.000 2.274 84 E HA -0.034 4.316 4.350 0.001 0.000 0.194 84 E C -0.240 176.228 176.600 -0.219 0.000 0.996 84 E CA 0.535 56.824 56.400 -0.186 0.000 0.840 84 E CB 0.267 29.820 29.700 -0.246 0.000 0.772 84 E HN 0.208 nan 8.360 nan 0.000 0.491 85 N N 0.318 118.871 118.700 -0.245 0.000 2.703 85 N HA 0.110 4.851 4.740 0.001 0.000 0.283 85 N C -2.368 173.084 175.510 -0.098 0.000 1.851 85 N CA -0.826 52.103 53.050 -0.202 0.000 0.826 85 N CB 1.538 39.826 38.487 -0.332 0.000 1.239 85 N HN 0.131 nan 8.380 nan 0.000 0.495 86 P HA -0.073 nan 4.420 nan 0.000 0.223 86 P C 1.436 178.733 177.300 -0.005 0.000 1.151 86 P CA 1.031 64.111 63.100 -0.033 0.000 0.787 86 P CB 0.352 32.031 31.700 -0.034 0.000 0.788 87 T N -0.644 113.907 114.554 -0.005 0.000 2.881 87 T HA -0.058 4.293 4.350 0.001 0.000 0.270 87 T C 1.722 176.440 174.700 0.030 0.000 1.068 87 T CA 0.975 63.084 62.100 0.013 0.000 1.131 87 T CB -0.749 68.125 68.868 0.010 0.000 0.871 87 T HN 0.010 nan 8.240 nan 0.000 0.479 88 M N -0.234 119.392 119.600 0.044 0.000 2.346 88 M HA -0.091 4.390 4.480 0.001 0.000 0.263 88 M C 2.207 178.587 176.300 0.133 0.000 1.064 88 M CA 0.991 56.346 55.300 0.093 0.000 1.083 88 M CB -0.387 32.292 32.600 0.131 0.000 1.399 88 M HN 0.399 nan 8.290 nan 0.000 0.435 89 C N -0.475 118.883 119.300 0.098 0.000 2.590 89 C HA 0.106 4.567 4.460 0.001 0.000 0.272 89 C C 1.060 176.029 174.990 -0.035 0.000 1.338 89 C CA -0.400 58.649 59.018 0.051 0.000 1.746 89 C CB -0.715 27.053 27.740 0.047 0.000 2.020 89 C HN 0.400 nan 8.230 nan 0.000 0.531 90 E N -0.017 120.184 120.200 0.002 0.000 2.373 90 E HA 0.106 4.457 4.350 0.001 0.000 0.267 90 E C 0.298 176.927 176.600 0.049 0.000 1.032 90 E CA -0.179 56.244 56.400 0.038 0.000 0.889 90 E CB 0.382 30.112 29.700 0.051 0.000 0.984 90 E HN 0.317 nan 8.360 nan 0.000 0.425 91 F N 1.872 121.838 119.950 0.026 0.000 2.074 91 F HA -0.036 4.492 4.527 0.002 0.000 0.293 91 F C 1.633 177.475 175.800 0.070 0.000 1.116 91 F CA 1.124 59.147 58.000 0.038 0.000 1.212 91 F CB 0.263 39.266 39.000 0.005 0.000 0.998 91 F HN 0.410 nan 8.300 nan 0.000 0.471 92 M N 0.453 120.224 119.600 0.285 0.000 2.989 92 M HA 0.374 4.855 4.480 0.001 0.000 0.307 92 M C -0.289 176.087 176.300 0.126 0.000 1.224 92 M CA -0.243 55.181 55.300 0.206 0.000 0.984 92 M CB -0.180 32.531 32.600 0.185 0.000 1.264 92 M HN -0.003 nan 8.290 nan 0.000 0.525 93 A N 0.970 123.853 122.820 0.104 0.000 2.304 93 A HA 0.817 5.137 4.320 0.001 0.000 0.301 93 A C -2.454 175.171 177.584 0.067 0.000 1.132 93 A CA -1.350 50.729 52.037 0.071 0.000 0.819 93 A CB -0.136 18.896 19.000 0.052 0.000 1.094 93 A HN 0.291 nan 8.150 nan 0.000 0.492 94 P HA 0.146 nan 4.420 nan 0.000 0.271 94 P C 0.148 177.475 177.300 0.046 0.000 1.220 94 P CA 0.188 63.319 63.100 0.052 0.000 0.768 94 P CB 1.154 32.878 31.700 0.040 0.000 0.848 95 S N 1.094 116.825 115.700 0.052 0.000 2.904 95 S HA 0.031 4.501 4.470 0.001 0.000 0.260 95 S C 1.104 175.736 174.600 0.053 0.000 1.000 95 S CA -0.342 57.887 58.200 0.048 0.000 1.274 95 S CB -0.722 62.508 63.200 0.050 0.000 1.196 95 S HN 0.219 nan 8.310 nan 0.000 0.678 96 L N 2.823 124.077 121.223 0.052 0.000 2.083 96 L HA 0.121 4.461 4.340 0.001 0.000 0.209 96 L C 1.779 178.676 176.870 0.045 0.000 1.083 96 L CA 1.963 56.832 54.840 0.048 0.000 0.752 96 L CB -0.853 41.232 42.059 0.043 0.000 0.899 96 L HN 0.241 nan 8.230 nan 0.000 0.433 97 N N 0.175 118.899 118.700 0.040 0.000 2.166 97 N HA -0.118 4.623 4.740 0.001 0.000 0.186 97 N C 1.847 177.394 175.510 0.063 0.000 1.019 97 N CA 1.516 54.589 53.050 0.039 0.000 0.856 97 N CB -0.515 37.988 38.487 0.027 0.000 0.993 97 N HN 0.527 nan 8.380 nan 0.000 0.426 98 A N 1.328 124.193 122.820 0.076 0.000 1.898 98 A HA -0.095 4.226 4.320 0.001 0.000 0.216 98 A C 2.236 179.956 177.584 0.227 0.000 1.181 98 A CA 1.163 53.286 52.037 0.142 0.000 0.620 98 A CB -0.336 18.712 19.000 0.080 0.000 0.819 98 A HN 0.242 nan 8.150 nan 0.000 0.442 99 R N -0.752 119.829 120.500 0.136 0.000 2.075 99 R HA -0.087 4.254 4.340 0.001 0.000 0.232 99 R C 2.454 178.782 176.300 0.047 0.000 1.126 99 R CA 1.312 57.464 56.100 0.086 0.000 0.963 99 R CB -0.331 29.999 30.300 0.051 0.000 0.858 99 R HN 0.539 nan 8.270 nan 0.000 0.435 100 Q N 0.874 120.700 119.800 0.044 0.000 2.061 100 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 100 Q C 1.595 177.615 176.000 0.033 0.000 0.984 100 Q CA 1.463 57.280 55.803 0.024 0.000 0.846 100 Q CB -0.265 28.481 28.738 0.014 0.000 0.902 100 Q HN 0.359 nan 8.270 nan 0.000 0.421 101 D N 0.792 121.233 120.400 0.069 0.000 2.133 101 D HA -0.156 4.485 4.640 0.001 0.000 0.195 101 D C 1.971 178.300 176.300 0.048 0.000 0.997 101 D CA 0.668 54.719 54.000 0.084 0.000 0.840 101 D CB -0.266 40.622 40.800 0.147 0.000 0.947 101 D HN 0.160 nan 8.370 nan 0.000 0.452 102 L N 0.701 121.920 121.223 -0.007 0.000 2.005 102 L HA -0.131 4.210 4.340 0.001 0.000 0.207 102 L C 2.405 179.224 176.870 -0.086 0.000 1.072 102 L CA 1.313 56.051 54.840 -0.169 0.000 0.744 102 L CB -0.143 41.664 42.059 -0.421 0.000 0.895 102 L HN 0.033 nan 8.230 nan 0.000 0.433 103 V N -4.834 115.054 119.914 -0.044 0.000 3.052 103 V HA -0.034 4.087 4.120 0.001 0.000 0.254 103 V C 2.180 178.286 176.094 0.021 0.000 1.100 103 V CA 0.583 62.879 62.300 -0.008 0.000 1.112 103 V CB -0.032 31.797 31.823 0.009 0.000 0.738 103 V HN 0.163 nan 8.190 nan 0.000 0.469 104 V N 1.077 121.000 119.914 0.015 0.000 2.626 104 V HA -0.163 3.958 4.120 0.001 0.000 0.252 104 V C 2.618 178.725 176.094 0.021 0.000 1.067 104 V CA 2.642 64.955 62.300 0.023 0.000 1.081 104 V CB -0.494 31.337 31.823 0.013 0.000 0.686 104 V HN 0.673 nan 8.190 nan 0.000 0.468 105 T N -0.583 113.981 114.554 0.016 0.000 2.925 105 T HA 0.057 4.408 4.350 0.001 0.000 0.245 105 T C 1.860 176.572 174.700 0.020 0.000 1.025 105 T CA 1.118 63.228 62.100 0.016 0.000 1.149 105 T CB -0.255 68.622 68.868 0.014 0.000 0.866 105 T HN 0.549 nan 8.240 nan 0.000 0.437 106 G N 1.005 109.812 108.800 0.011 0.000 2.440 106 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 106 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 106 G C 1.678 176.614 174.900 0.060 0.000 1.154 106 G CA 0.887 45.997 45.100 0.018 0.000 0.767 106 G HN 0.398 nan 8.290 nan 0.000 0.552 107 V N 2.301 122.265 119.914 0.084 0.000 2.261 107 V HA -0.087 4.034 4.120 0.001 0.000 0.246 107 V C 0.396 176.639 176.094 0.249 0.000 1.047 107 V CA 2.332 64.731 62.300 0.165 0.000 1.015 107 V CB -0.739 31.198 31.823 0.189 0.000 0.642 107 V HN 0.335 nan 8.190 nan 0.000 0.446 108 P HA -0.121 nan 4.420 nan 0.000 0.221 108 P C 1.861 179.253 177.300 0.153 0.000 1.150 108 P CA 1.408 64.608 63.100 0.167 0.000 0.800 108 P CB -0.097 31.568 31.700 -0.059 0.000 0.787 109 M N -1.026 118.630 119.600 0.094 0.000 2.099 109 M HA -0.076 4.404 4.480 0.001 0.000 0.262 109 M C 2.159 178.505 176.300 0.077 0.000 1.067 109 M CA 1.192 56.534 55.300 0.069 0.000 1.124 109 M CB -1.621 31.005 32.600 0.044 0.000 1.353 109 M HN -0.027 nan 8.290 nan 0.000 0.410 110 L N 0.643 121.918 121.223 0.087 0.000 2.042 110 L HA -0.064 4.276 4.340 0.001 0.000 0.210 110 L C 2.297 179.217 176.870 0.083 0.000 1.076 110 L CA 2.155 57.042 54.840 0.079 0.000 0.749 110 L CB -1.326 40.782 42.059 0.081 0.000 0.893 110 L HN 0.310 nan 8.230 nan 0.000 0.432 111 G N -0.879 108.001 108.800 0.133 0.000 2.422 111 G HA2 -0.292 3.669 3.960 0.001 0.000 0.218 111 G HA3 -0.292 3.669 3.960 0.001 0.000 0.218 111 G C 1.691 176.638 174.900 0.078 0.000 1.146 111 G CA 0.736 45.894 45.100 0.096 0.000 0.769 111 G HN 0.386 nan 8.290 nan 0.000 0.547 112 K N 0.876 121.341 120.400 0.108 0.000 2.057 112 K HA -0.114 4.207 4.320 0.001 0.000 0.207 112 K C 2.259 178.881 176.600 0.038 0.000 1.049 112 K CA 1.613 57.942 56.287 0.070 0.000 0.931 112 K CB -0.276 32.262 32.500 0.062 0.000 0.714 112 K HN 0.424 nan 8.250 nan 0.000 0.440 113 E N 0.026 120.247 120.200 0.035 0.000 2.058 113 E HA -0.180 4.171 4.350 0.001 0.000 0.194 113 E C 1.981 178.581 176.600 0.000 0.000 0.997 113 E CA 1.376 57.787 56.400 0.018 0.000 0.801 113 E CB -0.154 29.559 29.700 0.020 0.000 0.746 113 E HN 0.447 nan 8.360 nan 0.000 0.450 114 A N 1.170 123.986 122.820 -0.007 0.000 1.930 114 A HA -0.068 4.253 4.320 0.001 0.000 0.217 114 A C 2.339 179.899 177.584 -0.040 0.000 1.175 114 A CA 1.543 53.555 52.037 -0.042 0.000 0.627 114 A CB -0.539 18.425 19.000 -0.058 0.000 0.815 114 A HN 0.294 nan 8.150 nan 0.000 0.443 115 A N -0.538 122.270 122.820 -0.020 0.000 1.930 115 A HA 0.036 4.357 4.320 0.001 0.000 0.217 115 A C 2.186 179.778 177.584 0.012 0.000 1.175 115 A CA 1.611 53.642 52.037 -0.010 0.000 0.627 115 A CB -0.840 18.166 19.000 0.009 0.000 0.815 115 A HN 0.355 nan 8.150 nan 0.000 0.443 116 V N 0.443 120.367 119.914 0.016 0.000 2.332 116 V HA -0.303 3.818 4.120 0.001 0.000 0.248 116 V C 2.457 178.564 176.094 0.022 0.000 1.055 116 V CA 2.398 64.713 62.300 0.024 0.000 1.038 116 V CB -0.664 31.169 31.823 0.017 0.000 0.651 116 V HN 0.563 nan 8.190 nan 0.000 0.450 117 K N 0.242 120.643 120.400 0.002 0.000 2.057 117 K HA -0.103 4.218 4.320 0.001 0.000 0.206 117 K C 2.337 178.941 176.600 0.006 0.000 1.050 117 K CA 1.451 57.734 56.287 -0.006 0.000 0.935 117 K CB -0.426 32.054 32.500 -0.034 0.000 0.715 117 K HN 0.471 nan 8.250 nan 0.000 0.439 118 A N 1.863 124.682 122.820 -0.002 0.000 1.877 118 A HA -0.143 4.178 4.320 0.001 0.000 0.216 118 A C 2.160 179.805 177.584 0.102 0.000 1.186 118 A CA 1.281 53.326 52.037 0.013 0.000 0.620 118 A CB -0.637 18.342 19.000 -0.034 0.000 0.822 118 A HN 0.169 nan 8.150 nan 0.000 0.443 119 I N -0.100 120.541 120.570 0.119 0.000 2.226 119 I HA -0.238 3.933 4.170 0.001 0.000 0.245 119 I C 1.790 178.024 176.117 0.195 0.000 1.100 119 I CA 1.527 62.969 61.300 0.237 0.000 1.374 119 I CB -0.648 37.462 38.000 0.184 0.000 1.057 119 I HN 0.253 nan 8.210 nan 0.000 0.413 120 D N 0.674 121.134 120.400 0.100 0.000 2.117 120 D HA -0.218 4.422 4.640 0.001 0.000 0.197 120 D C 2.016 178.354 176.300 0.063 0.000 0.987 120 D CA 1.246 55.280 54.000 0.056 0.000 0.829 120 D CB -0.223 40.593 40.800 0.026 0.000 0.961 120 D HN 0.462 nan 8.370 nan 0.000 0.460 121 E N -0.372 119.876 120.200 0.081 0.000 2.051 121 E HA -0.193 4.158 4.350 0.001 0.000 0.192 121 E C 2.046 178.732 176.600 0.143 0.000 0.991 121 E CA 0.807 57.253 56.400 0.077 0.000 0.799 121 E CB -0.210 29.521 29.700 0.052 0.000 0.748 121 E HN 0.231 nan 8.360 nan 0.000 0.449 122 W N 0.749 122.035 121.300 -0.024 0.000 2.317 122 W HA -0.163 4.498 4.660 0.001 0.000 0.318 122 W C 1.693 178.205 176.519 -0.012 0.000 1.227 122 W CA 3.174 60.509 57.345 -0.016 0.000 1.269 122 W CB -0.666 28.788 29.460 -0.011 0.000 1.155 122 W HN 0.408 nan 8.180 nan 0.000 0.484 123 G N -1.523 107.216 108.800 -0.101 0.000 2.213 123 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 123 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 123 G C -0.122 174.529 174.900 -0.415 0.000 0.991 123 G CA 0.106 45.076 45.100 -0.217 0.000 0.629 123 G HN 0.257 nan 8.290 nan 0.000 0.517 124 L N 2.047 122.742 121.223 -0.881 0.000 2.439 124 L HA 0.622 4.963 4.340 0.001 0.000 0.259 124 L C -1.664 174.832 176.870 -0.622 0.000 1.129 124 L CA -2.058 52.204 54.840 -0.964 0.000 0.803 124 L CB 0.325 41.373 42.059 -1.685 0.000 1.161 124 L HN -0.084 nan 8.230 nan 0.000 0.462 125 P HA 0.080 nan 4.420 nan 0.000 0.271 125 P C -0.092 177.195 177.300 -0.021 0.000 1.220 125 P CA -0.373 62.636 63.100 -0.152 0.000 0.768 125 P CB 0.222 31.860 31.700 -0.105 0.000 0.848 126 K N 1.243 121.683 120.400 0.068 0.000 2.442 126 K HA -0.119 4.202 4.320 0.001 0.000 0.198 126 K C 1.244 177.928 176.600 0.141 0.000 1.044 126 K CA 1.623 58.013 56.287 0.171 0.000 0.948 126 K CB -0.563 32.006 32.500 0.115 0.000 0.762 126 K HN 0.392 nan 8.250 nan 0.000 0.472 127 S N 0.895 116.643 115.700 0.081 0.000 2.507 127 S HA -0.038 4.433 4.470 0.001 0.000 0.235 127 S C 1.594 176.252 174.600 0.096 0.000 0.988 127 S CA 0.527 58.765 58.200 0.065 0.000 0.944 127 S CB -0.038 63.180 63.200 0.029 0.000 0.762 127 S HN 0.360 nan 8.310 nan 0.000 0.526 128 K N 0.398 120.895 120.400 0.163 0.000 2.400 128 K HA 0.288 4.608 4.320 0.001 0.000 0.194 128 K C -0.042 176.719 176.600 0.268 0.000 1.033 128 K CA 0.033 56.456 56.287 0.227 0.000 1.021 128 K CB -0.058 32.624 32.500 0.304 0.000 0.808 128 K HN 0.472 nan 8.250 nan 0.000 0.505 129 I N 2.337 123.051 120.570 0.241 0.000 2.494 129 I HA -0.082 4.089 4.170 0.001 0.000 0.289 129 I C 1.452 177.613 176.117 0.073 0.000 1.106 129 I CA 0.196 61.572 61.300 0.125 0.000 1.369 129 I CB 1.077 39.136 38.000 0.098 0.000 1.410 129 I HN 0.153 nan 8.210 nan 0.000 0.523 130 T N 1.038 115.632 114.554 0.066 0.000 3.015 130 T HA 0.146 4.497 4.350 0.001 0.000 0.250 130 T C 0.379 174.933 174.700 -0.245 0.000 1.057 130 T CA 0.245 62.313 62.100 -0.053 0.000 1.066 130 T CB -0.013 68.849 68.868 -0.010 0.000 0.959 130 T HN 0.521 nan 8.240 nan 0.000 0.488 131 H N -0.211 118.902 119.070 0.071 0.000 2.771 131 H HA 0.650 5.207 4.556 0.001 0.000 0.361 131 H C -1.424 173.967 175.328 0.105 0.000 1.108 131 H CA -0.769 55.359 56.048 0.132 0.000 1.201 131 H CB 1.958 31.809 29.762 0.149 0.000 1.681 131 H HN 0.079 nan 8.280 nan 0.000 0.534 132 L N 4.509 125.887 121.223 0.258 0.000 2.325 132 L HA 0.522 4.862 4.340 0.001 0.000 0.281 132 L C -1.028 176.010 176.870 0.279 0.000 1.004 132 L CA -0.743 54.212 54.840 0.191 0.000 0.823 132 L CB 0.741 42.882 42.059 0.137 0.000 1.236 132 L HN 0.659 nan 8.230 nan 0.000 0.415 133 I N 4.936 125.613 120.570 0.179 0.000 2.328 133 I HA 0.229 4.399 4.170 0.001 0.000 0.287 133 I C -0.822 175.343 176.117 0.081 0.000 1.012 133 I CA -0.325 61.069 61.300 0.157 0.000 1.195 133 I CB 1.397 39.420 38.000 0.038 0.000 1.350 133 I HN 0.404 nan 8.210 nan 0.000 0.464 134 F N 7.053 127.008 119.950 0.008 0.000 2.415 134 F HA 0.519 5.047 4.527 0.001 0.000 0.348 134 F C -0.192 175.559 175.800 -0.082 0.000 1.119 134 F CA -0.532 57.440 58.000 -0.047 0.000 1.069 134 F CB 1.099 40.049 39.000 -0.083 0.000 1.124 134 F HN 0.428 nan 8.300 nan 0.000 0.472 135 C N 5.619 124.846 119.300 -0.122 0.000 2.431 135 C HA 0.837 5.298 4.460 0.001 0.000 0.321 135 C C -0.569 174.440 174.990 0.030 0.000 1.202 135 C CA 0.005 59.017 59.018 -0.011 0.000 1.398 135 C CB 0.629 28.333 27.740 -0.059 0.000 2.047 135 C HN 0.989 nan 8.230 nan 0.000 0.465 136 T N 2.323 116.964 114.554 0.146 0.000 2.792 136 T HA 0.571 4.922 4.350 0.001 0.000 0.303 136 T C 0.254 175.057 174.700 0.171 0.000 1.310 136 T CA -0.095 62.115 62.100 0.183 0.000 1.007 136 T CB 1.737 70.802 68.868 0.328 0.000 1.335 136 T HN 0.638 nan 8.240 nan 0.000 0.504 137 T N 1.295 115.926 114.554 0.129 0.000 3.091 137 T HA 0.485 4.836 4.350 0.001 0.000 0.277 137 T C 0.174 174.926 174.700 0.086 0.000 0.996 137 T CA 0.084 62.243 62.100 0.098 0.000 0.897 137 T CB 0.466 69.353 68.868 0.032 0.000 1.109 137 T HN 0.746 nan 8.240 nan 0.000 0.534 138 A N 1.623 124.514 122.820 0.117 0.000 2.511 138 A HA 0.761 5.082 4.320 0.001 0.000 0.340 138 A C 0.822 178.464 177.584 0.098 0.000 1.396 138 A CA -0.123 51.963 52.037 0.082 0.000 0.887 138 A CB -0.535 18.504 19.000 0.064 0.000 1.145 138 A HN 0.690 nan 8.150 nan 0.000 0.497 139 G N 0.021 108.846 108.800 0.043 0.000 2.829 139 G HA2 0.315 4.276 3.960 0.001 0.000 0.628 139 G HA3 0.315 4.276 3.960 0.001 0.000 0.628 139 G C -0.235 174.556 174.900 -0.181 0.000 1.412 139 G CA 0.076 45.158 45.100 -0.029 0.000 0.864 139 G HN 2.392 nan 8.290 nan 0.000 0.544 140 V N -2.854 116.848 119.914 -0.353 0.000 3.147 140 V HA 0.988 5.109 4.120 0.001 0.000 0.306 140 V C -0.698 175.172 176.094 -0.373 0.000 1.209 140 V CA 0.080 61.881 62.300 -0.832 0.000 1.023 140 V CB 2.138 33.423 31.823 -0.897 0.000 1.059 140 V HN 1.680 nan 8.190 nan 0.000 0.435 141 D N 1.341 121.571 120.400 -0.285 0.000 2.694 141 D HA 0.638 5.279 4.640 0.001 0.000 0.260 141 D C -1.342 174.955 176.300 -0.005 0.000 1.250 141 D CA -0.411 53.541 54.000 -0.079 0.000 0.763 141 D CB 2.086 42.880 40.800 -0.011 0.000 1.311 141 D HN 0.857 nan 8.370 nan 0.000 0.420 142 M N 2.172 121.761 119.600 -0.017 0.000 2.142 142 M HA 0.459 4.940 4.480 0.001 0.000 0.299 142 M C -2.295 173.970 176.300 -0.058 0.000 0.960 142 M CA -1.575 53.712 55.300 -0.020 0.000 0.920 142 M CB 1.700 34.283 32.600 -0.028 0.000 1.541 142 M HN 0.148 nan 8.290 nan 0.000 0.429 143 P HA 0.284 nan 4.420 nan 0.000 0.272 143 P C 0.270 177.586 177.300 0.028 0.000 1.230 143 P CA -0.250 62.779 63.100 -0.118 0.000 0.788 143 P CB 0.469 31.912 31.700 -0.429 0.000 0.949 144 G N 0.011 108.858 108.800 0.079 0.000 2.634 144 G HA2 0.319 4.280 3.960 0.001 0.000 0.255 144 G HA3 0.319 4.280 3.960 0.001 0.000 0.255 144 G C 1.036 175.939 174.900 0.005 0.000 1.205 144 G CA -0.062 45.112 45.100 0.124 0.000 0.884 144 G HN 0.536 nan 8.290 nan 0.000 0.549 145 A N -0.049 122.677 122.820 -0.157 0.000 2.076 145 A HA -0.098 4.222 4.320 0.001 0.000 0.220 145 A C 2.041 179.191 177.584 -0.723 0.000 1.160 145 A CA 2.161 53.867 52.037 -0.552 0.000 0.653 145 A CB -0.407 18.010 19.000 -0.972 0.000 0.801 145 A HN 0.751 nan 8.150 nan 0.000 0.455 146 D N -1.327 118.804 120.400 -0.449 0.000 2.117 146 D HA -0.245 4.395 4.640 0.001 0.000 0.198 146 D C 1.823 178.098 176.300 -0.042 0.000 0.982 146 D CA 1.565 55.474 54.000 -0.153 0.000 0.828 146 D CB -0.868 39.918 40.800 -0.023 0.000 0.967 146 D HN 0.543 nan 8.370 nan 0.000 0.464 147 Y N 1.789 122.022 120.300 -0.112 0.000 2.097 147 Y HA -0.234 4.317 4.550 0.001 0.000 0.282 147 Y C 2.531 178.396 175.900 -0.060 0.000 1.152 147 Y CA 2.257 60.318 58.100 -0.065 0.000 1.136 147 Y CB -0.318 38.112 38.460 -0.050 0.000 0.975 147 Y HN -0.132 nan 8.280 nan 0.000 0.498 148 Q N 0.220 119.965 119.800 -0.092 0.000 2.135 148 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 148 Q C 2.453 178.350 176.000 -0.172 0.000 0.981 148 Q CA 1.494 57.194 55.803 -0.171 0.000 0.856 148 Q CB -0.749 27.957 28.738 -0.054 0.000 0.902 148 Q HN 0.552 nan 8.270 nan 0.000 0.425 149 L N 0.749 121.903 121.223 -0.115 0.000 2.046 149 L HA -0.135 4.206 4.340 0.001 0.000 0.208 149 L C 2.438 179.282 176.870 -0.042 0.000 1.077 149 L CA 1.334 56.172 54.840 -0.002 0.000 0.747 149 L CB -0.455 41.705 42.059 0.168 0.000 0.896 149 L HN 0.173 nan 8.230 nan 0.000 0.432 150 V N -0.701 119.154 119.914 -0.098 0.000 2.407 150 V HA -0.297 3.824 4.120 0.001 0.000 0.248 150 V C 2.529 178.532 176.094 -0.152 0.000 1.055 150 V CA 2.144 64.384 62.300 -0.101 0.000 1.049 150 V CB -0.393 31.370 31.823 -0.100 0.000 0.662 150 V HN 0.463 nan 8.190 nan 0.000 0.455 151 K N -0.801 119.431 120.400 -0.280 0.000 2.002 151 K HA -0.156 4.165 4.320 0.001 0.000 0.209 151 K C 2.149 178.674 176.600 -0.125 0.000 1.048 151 K CA 2.018 58.155 56.287 -0.249 0.000 0.930 151 K CB -0.307 31.959 32.500 -0.391 0.000 0.714 151 K HN 0.444 nan 8.250 nan 0.000 0.438 152 L N 1.119 122.283 121.223 -0.099 0.000 2.079 152 L HA -0.164 4.177 4.340 0.001 0.000 0.210 152 L C 2.029 178.886 176.870 -0.022 0.000 1.081 152 L CA 1.578 56.393 54.840 -0.043 0.000 0.752 152 L CB -0.463 41.586 42.059 -0.017 0.000 0.896 152 L HN 0.283 nan 8.230 nan 0.000 0.433 153 L N -1.744 119.467 121.223 -0.020 0.000 2.513 153 L HA 0.215 4.556 4.340 0.001 0.000 0.222 153 L C 1.216 178.083 176.870 -0.004 0.000 1.096 153 L CA 0.570 55.411 54.840 0.001 0.000 0.857 153 L CB -0.247 41.823 42.059 0.018 0.000 1.026 153 L HN 0.473 nan 8.230 nan 0.000 0.469 154 G N 1.505 110.291 108.800 -0.024 0.000 2.256 154 G HA2 -0.257 3.703 3.960 0.001 0.000 0.272 154 G HA3 -0.257 3.703 3.960 0.001 0.000 0.272 154 G C 0.103 174.998 174.900 -0.007 0.000 1.076 154 G CA -0.048 45.040 45.100 -0.020 0.000 0.882 154 G HN 0.201 nan 8.290 nan 0.000 0.497 155 L N 0.034 121.251 121.223 -0.009 0.000 2.475 155 L HA 0.514 4.855 4.340 0.001 0.000 0.253 155 L C 1.634 178.503 176.870 -0.001 0.000 1.198 155 L CA -0.093 54.752 54.840 0.008 0.000 0.814 155 L CB 0.737 42.805 42.059 0.015 0.000 1.134 155 L HN 0.335 nan 8.230 nan 0.000 0.478 156 S N 0.633 116.338 115.700 0.008 0.000 2.558 156 S HA 0.055 4.525 4.470 0.001 0.000 0.291 156 S C -1.586 173.011 174.600 -0.006 0.000 1.306 156 S CA -0.925 57.275 58.200 0.001 0.000 1.056 156 S CB 0.619 63.821 63.200 0.003 0.000 0.836 156 S HN 0.375 nan 8.310 nan 0.000 0.504 157 P HA 0.066 nan 4.420 nan 0.000 0.226 157 P C 0.526 177.827 177.300 0.001 0.000 1.153 157 P CA 0.645 63.747 63.100 0.004 0.000 0.777 157 P CB 0.139 31.846 31.700 0.012 0.000 0.794 158 S N -1.025 114.669 115.700 -0.010 0.000 2.572 158 S HA 0.109 4.580 4.470 0.001 0.000 0.228 158 S C 0.583 175.154 174.600 -0.047 0.000 0.963 158 S CA -0.382 57.804 58.200 -0.023 0.000 0.939 158 S CB -0.381 62.807 63.200 -0.019 0.000 0.804 158 S HN -0.032 nan 8.310 nan 0.000 0.480 159 V N 2.887 122.775 119.914 -0.043 0.000 2.673 159 V HA 0.136 4.256 4.120 0.001 0.000 0.303 159 V C -0.024 176.015 176.094 -0.092 0.000 1.046 159 V CA 0.052 62.311 62.300 -0.069 0.000 1.126 159 V CB 0.540 32.347 31.823 -0.026 0.000 0.934 159 V HN 0.257 nan 8.190 nan 0.000 0.487 160 K N 6.870 127.177 120.400 -0.155 0.000 2.312 160 K HA 0.435 4.755 4.320 0.001 0.000 0.287 160 K C -0.373 176.136 176.600 -0.151 0.000 1.062 160 K CA -0.125 56.069 56.287 -0.155 0.000 0.934 160 K CB 0.806 33.235 32.500 -0.118 0.000 1.027 160 K HN 0.650 nan 8.250 nan 0.000 0.478 161 R N 2.211 122.518 120.500 -0.321 0.000 2.732 161 R HA 0.367 4.708 4.340 0.001 0.000 0.278 161 R C -1.004 174.876 176.300 -0.700 0.000 0.976 161 R CA -0.833 55.098 56.100 -0.283 0.000 0.963 161 R CB 1.121 31.362 30.300 -0.098 0.000 1.150 161 R HN 0.466 nan 8.270 nan 0.000 0.478 162 Y N 1.448 121.782 120.300 0.056 0.000 2.526 162 Y HA 0.291 4.842 4.550 0.001 0.000 0.328 162 Y C -0.301 175.613 175.900 0.024 0.000 0.995 162 Y CA -0.867 57.256 58.100 0.039 0.000 1.304 162 Y CB 1.495 39.976 38.460 0.035 0.000 1.096 162 Y HN 0.356 nan 8.280 nan 0.000 0.499 163 M N 4.646 124.277 119.600 0.052 0.000 2.151 163 M HA 0.396 4.876 4.480 0.001 0.000 0.349 163 M C -1.841 174.424 176.300 -0.058 0.000 1.284 163 M CA -0.592 54.678 55.300 -0.050 0.000 1.173 163 M CB -0.004 32.522 32.600 -0.123 0.000 1.469 163 M HN 0.424 nan 8.290 nan 0.000 0.439 164 L N 7.005 128.204 121.223 -0.040 0.000 2.288 164 L HA 0.369 4.710 4.340 0.001 0.000 0.283 164 L C -1.096 175.763 176.870 -0.018 0.000 1.072 164 L CA 0.038 54.883 54.840 0.008 0.000 0.862 164 L CB -0.773 41.310 42.059 0.040 0.000 1.245 164 L HN 0.523 nan 8.230 nan 0.000 0.432 165 Y N 1.508 121.865 120.300 0.096 0.000 2.453 165 Y HA 0.373 4.923 4.550 0.001 0.000 0.326 165 Y C 0.962 176.901 175.900 0.064 0.000 1.186 165 Y CA -0.919 57.230 58.100 0.082 0.000 1.200 165 Y CB 0.981 39.477 38.460 0.061 0.000 1.247 165 Y HN 0.506 nan 8.280 nan 0.000 0.482 166 Q N 0.925 120.890 119.800 0.274 0.000 2.452 166 Q HA -0.227 4.114 4.340 0.001 0.000 0.318 166 Q C 0.346 176.412 176.000 0.109 0.000 1.386 166 Q CA 0.594 56.488 55.803 0.151 0.000 0.872 166 Q CB -0.729 28.080 28.738 0.117 0.000 1.151 166 Q HN 0.754 nan 8.270 nan 0.000 0.417 167 Q N -1.087 118.772 119.800 0.098 0.000 2.324 167 Q HA 0.303 4.643 4.340 0.001 0.000 0.207 167 Q C 1.191 177.214 176.000 0.038 0.000 0.928 167 Q CA 1.067 56.908 55.803 0.063 0.000 0.890 167 Q CB 0.484 29.254 28.738 0.053 0.000 1.001 167 Q HN 0.681 nan 8.270 nan 0.000 0.517 171 A N 0.234 123.001 122.820 -0.088 0.000 2.206 171 A HA 0.383 4.704 4.320 0.001 0.000 0.211 171 A C 2.036 179.586 177.584 -0.057 0.000 1.158 171 A CA 1.796 53.801 52.037 -0.053 0.000 0.761 171 A CB -0.756 18.230 19.000 -0.024 0.000 0.801 171 A HN 1.209 nan 8.150 nan 0.000 0.473 172 G N -0.196 108.565 108.800 -0.064 0.000 2.432 172 G HA2 0.032 3.993 3.960 0.001 0.000 0.219 172 G HA3 0.032 3.993 3.960 0.001 0.000 0.219 172 G C 1.374 176.236 174.900 -0.063 0.000 1.135 172 G CA 1.117 46.190 45.100 -0.044 0.000 0.767 172 G HN 0.607 nan 8.290 nan 0.000 0.550 173 G N -0.067 108.684 108.800 -0.081 0.000 2.453 173 G HA2 -0.015 3.945 3.960 0.001 0.000 0.215 173 G HA3 -0.015 3.945 3.960 0.001 0.000 0.215 173 G C 1.776 176.629 174.900 -0.077 0.000 1.147 173 G CA 1.430 46.477 45.100 -0.088 0.000 0.802 173 G HN 0.337 nan 8.290 nan 0.000 0.535 174 T N 1.522 116.037 114.554 -0.066 0.000 2.684 174 T HA -0.197 4.154 4.350 0.001 0.000 0.267 174 T C 2.711 177.370 174.700 -0.068 0.000 1.036 174 T CA 2.086 64.152 62.100 -0.056 0.000 1.148 174 T CB -0.505 68.340 68.868 -0.038 0.000 0.863 174 T HN 0.317 nan 8.240 nan 0.000 0.436 175 V N 0.257 120.129 119.914 -0.070 0.000 2.515 175 V HA -0.018 4.103 4.120 0.001 0.000 0.250 175 V C 2.274 178.308 176.094 -0.099 0.000 1.058 175 V CA 1.329 63.579 62.300 -0.083 0.000 1.064 175 V CB -1.191 30.584 31.823 -0.080 0.000 0.675 175 V HN 0.419 nan 8.190 nan 0.000 0.461 176 L N 0.259 121.425 121.223 -0.094 0.000 2.072 176 L HA -0.045 4.296 4.340 0.001 0.000 0.205 176 L C 2.968 179.773 176.870 -0.107 0.000 1.079 176 L CA 2.140 56.919 54.840 -0.101 0.000 0.752 176 L CB -0.707 41.293 42.059 -0.098 0.000 0.906 176 L HN 0.322 nan 8.230 nan 0.000 0.436 177 R N 0.728 121.168 120.500 -0.099 0.000 2.091 177 R HA -0.229 4.111 4.340 0.001 0.000 0.238 177 R C 2.321 178.553 176.300 -0.113 0.000 1.136 177 R CA 1.787 57.830 56.100 -0.096 0.000 0.959 177 R CB -0.358 29.895 30.300 -0.078 0.000 0.856 177 R HN 0.244 nan 8.270 nan 0.000 0.437 178 L N 0.662 121.808 121.223 -0.129 0.000 2.072 178 L HA 0.083 4.424 4.340 0.001 0.000 0.205 178 L C 2.353 179.086 176.870 -0.229 0.000 1.079 178 L CA 2.068 56.799 54.840 -0.182 0.000 0.752 178 L CB -0.761 41.179 42.059 -0.199 0.000 0.906 178 L HN 0.264 nan 8.230 nan 0.000 0.436 179 A N -0.092 122.607 122.820 -0.201 0.000 1.917 179 A HA -0.317 4.003 4.320 0.001 0.000 0.219 179 A C 2.441 179.912 177.584 -0.188 0.000 1.182 179 A CA 2.186 54.100 52.037 -0.205 0.000 0.633 179 A CB -0.751 18.155 19.000 -0.157 0.000 0.819 179 A HN 0.575 nan 8.150 nan 0.000 0.448 180 K N -0.537 119.774 120.400 -0.149 0.000 2.020 180 K HA -0.249 4.072 4.320 0.001 0.000 0.212 180 K C 1.399 177.919 176.600 -0.133 0.000 1.050 180 K CA 2.047 58.259 56.287 -0.124 0.000 0.929 180 K CB -0.260 32.179 32.500 -0.102 0.000 0.714 180 K HN 0.406 nan 8.250 nan 0.000 0.443 181 D N 0.501 120.814 120.400 -0.146 0.000 2.183 181 D HA -0.098 4.543 4.640 0.001 0.000 0.203 181 D C 2.035 178.230 176.300 -0.175 0.000 0.969 181 D CA 0.850 54.769 54.000 -0.136 0.000 0.842 181 D CB -0.018 40.709 40.800 -0.121 0.000 0.957 181 D HN 0.261 nan 8.370 nan 0.000 0.484 182 L N 0.770 121.836 121.223 -0.262 0.000 1.994 182 L HA -0.151 4.190 4.340 0.001 0.000 0.208 182 L C 2.623 179.298 176.870 -0.325 0.000 1.071 182 L CA 1.302 55.908 54.840 -0.389 0.000 0.745 182 L CB -0.543 41.161 42.059 -0.591 0.000 0.892 182 L HN -0.030 nan 8.230 nan 0.000 0.431 183 A N -0.102 122.570 122.820 -0.246 0.000 1.902 183 A HA -0.225 4.096 4.320 0.001 0.000 0.217 183 A C 2.159 179.682 177.584 -0.102 0.000 1.181 183 A CA 1.814 53.757 52.037 -0.157 0.000 0.623 183 A CB -0.476 18.448 19.000 -0.126 0.000 0.818 183 A HN 0.467 nan 8.150 nan 0.000 0.443 184 E N -0.972 119.169 120.200 -0.098 0.000 2.152 184 E HA -0.131 4.220 4.350 0.001 0.000 0.192 184 E C 1.581 178.151 176.600 -0.051 0.000 0.983 184 E CA 0.934 57.295 56.400 -0.065 0.000 0.818 184 E CB -0.105 29.557 29.700 -0.063 0.000 0.758 184 E HN 0.614 nan 8.360 nan 0.000 0.467 185 N N 0.476 119.138 118.700 -0.062 0.000 2.422 185 N HA -0.017 4.724 4.740 0.001 0.000 0.181 185 N C -0.571 174.934 175.510 -0.008 0.000 1.080 185 N CA 0.284 53.314 53.050 -0.033 0.000 0.893 185 N CB 0.420 38.886 38.487 -0.034 0.000 0.973 185 N HN -0.015 nan 8.380 nan 0.000 0.456 186 N N 1.038 119.732 118.700 -0.011 0.000 2.564 186 N HA 0.039 4.779 4.740 0.001 0.000 0.248 186 N C -1.069 174.471 175.510 0.050 0.000 0.986 186 N CA -0.460 52.618 53.050 0.046 0.000 0.921 186 N CB 1.592 40.148 38.487 0.116 0.000 1.136 186 N HN 0.072 nan 8.380 nan 0.000 0.509 187 K N 0.760 121.188 120.400 0.047 0.000 2.472 187 K HA 0.071 4.391 4.320 0.001 0.000 0.280 187 K C 1.182 177.826 176.600 0.072 0.000 1.028 187 K CA 1.042 57.357 56.287 0.046 0.000 1.045 187 K CB -0.092 32.433 32.500 0.041 0.000 0.902 187 K HN 0.711 nan 8.250 nan 0.000 0.478 188 G N 2.553 111.401 108.800 0.080 0.000 2.162 188 G HA2 -0.329 3.632 3.960 0.001 0.000 0.260 188 G HA3 -0.329 3.632 3.960 0.001 0.000 0.260 188 G C 0.030 175.009 174.900 0.132 0.000 0.976 188 G CA 0.556 45.728 45.100 0.120 0.000 0.655 188 G HN 1.057 nan 8.290 nan 0.000 0.533 189 S N -0.038 115.733 115.700 0.117 0.000 2.572 189 S HA 0.668 5.139 4.470 0.001 0.000 0.279 189 S C 0.258 174.925 174.600 0.111 0.000 1.341 189 S CA -0.160 58.135 58.200 0.158 0.000 1.043 189 S CB 1.535 64.842 63.200 0.179 0.000 0.887 189 S HN 0.438 nan 8.310 nan 0.000 0.516 190 R N 1.960 122.533 120.500 0.123 0.000 2.483 190 R HA 0.444 4.785 4.340 0.001 0.000 0.303 190 R C -1.552 174.729 176.300 -0.030 0.000 0.987 190 R CA -0.582 55.510 56.100 -0.012 0.000 0.881 190 R CB 1.754 32.038 30.300 -0.025 0.000 1.177 190 R HN 0.599 nan 8.270 nan 0.000 0.451 191 V N 4.679 124.534 119.914 -0.099 0.000 2.394 191 V HA 0.304 4.424 4.120 0.001 0.000 0.282 191 V C -0.005 176.010 176.094 -0.132 0.000 1.031 191 V CA -0.866 61.400 62.300 -0.056 0.000 0.881 191 V CB 1.617 33.382 31.823 -0.097 0.000 0.982 191 V HN 0.477 nan 8.190 nan 0.000 0.451 192 L N 7.140 128.320 121.223 -0.072 0.000 2.264 192 L HA 0.567 4.908 4.340 0.001 0.000 0.289 192 L C -0.362 176.474 176.870 -0.057 0.000 1.044 192 L CA 0.413 55.200 54.840 -0.089 0.000 0.807 192 L CB 0.719 42.748 42.059 -0.050 0.000 1.192 192 L HN 0.509 nan 8.230 nan 0.000 0.425 193 I N 5.709 126.221 120.570 -0.098 0.000 2.359 193 I HA 0.424 4.594 4.170 0.001 0.000 0.294 193 I C -0.820 175.202 176.117 -0.157 0.000 0.987 193 I CA -0.716 60.518 61.300 -0.110 0.000 1.225 193 I CB 1.712 39.643 38.000 -0.114 0.000 1.366 193 I HN 0.266 nan 8.210 nan 0.000 0.466 194 V N 5.900 125.665 119.914 -0.249 0.000 2.482 194 V HA 0.286 4.407 4.120 0.001 0.000 0.295 194 V C -0.625 175.149 176.094 -0.533 0.000 1.026 194 V CA -0.537 61.524 62.300 -0.399 0.000 0.856 194 V CB 1.719 33.224 31.823 -0.530 0.000 1.001 194 V HN 0.799 nan 8.190 nan 0.000 0.424 195 C N 3.608 122.715 119.300 -0.322 0.000 2.281 195 C HA 0.745 5.206 4.460 0.001 0.000 0.325 195 C C 0.605 175.480 174.990 -0.191 0.000 1.282 195 C CA -0.387 58.483 59.018 -0.247 0.000 1.640 195 C CB 0.707 28.390 27.740 -0.095 0.000 2.288 195 C HN 0.847 nan 8.230 nan 0.000 0.507 196 S N 2.985 118.580 115.700 -0.176 0.000 2.647 196 S HA 0.504 4.975 4.470 0.001 0.000 0.300 196 S C -1.152 173.494 174.600 0.078 0.000 1.129 196 S CA -0.339 57.853 58.200 -0.014 0.000 1.029 196 S CB 0.489 63.715 63.200 0.044 0.000 1.007 196 S HN 0.754 nan 8.310 nan 0.000 0.484 197 E N 4.195 124.432 120.200 0.061 0.000 2.199 197 E HA 0.450 4.801 4.350 0.001 0.000 0.265 197 E C -0.984 175.645 176.600 0.049 0.000 0.882 197 E CA -0.411 56.022 56.400 0.055 0.000 0.759 197 E CB 1.876 31.594 29.700 0.030 0.000 1.148 197 E HN 0.640 nan 8.360 nan 0.000 0.412 198 I N 1.871 122.468 120.570 0.045 0.000 2.410 198 I HA 0.092 4.263 4.170 0.001 0.000 0.286 198 I C 1.304 177.424 176.117 0.006 0.000 1.009 198 I CA -0.387 60.929 61.300 0.027 0.000 1.111 198 I CB 1.793 39.806 38.000 0.020 0.000 1.262 198 I HN 0.451 nan 8.210 nan 0.000 0.443 199 T N 1.518 116.076 114.554 0.008 0.000 3.194 199 T HA 0.072 4.423 4.350 0.001 0.000 0.251 199 T C 1.615 176.324 174.700 0.014 0.000 1.132 199 T CA 0.532 62.626 62.100 -0.010 0.000 1.028 199 T CB 0.172 69.059 68.868 0.031 0.000 0.976 199 T HN 0.643 nan 8.240 nan 0.000 0.535 200 A N 1.631 124.455 122.820 0.006 0.000 1.978 200 A HA 0.011 4.331 4.320 0.001 0.000 0.220 200 A C 2.115 179.702 177.584 0.005 0.000 1.170 200 A CA 1.269 53.307 52.037 0.002 0.000 0.636 200 A CB -0.830 18.130 19.000 -0.066 0.000 0.810 200 A HN 0.539 nan 8.150 nan 0.000 0.448 201 I N -0.138 120.425 120.570 -0.012 0.000 2.423 201 I HA -0.167 4.004 4.170 0.001 0.000 0.254 201 I C 1.670 177.762 176.117 -0.041 0.000 1.151 201 I CA 1.343 62.635 61.300 -0.013 0.000 1.421 201 I CB -0.031 37.968 38.000 -0.003 0.000 1.079 201 I HN 0.522 nan 8.210 nan 0.000 0.431 202 L N -2.293 118.894 121.223 -0.059 0.000 3.014 202 L HA 0.323 4.664 4.340 0.001 0.000 0.263 202 L C 0.130 176.886 176.870 -0.190 0.000 1.207 202 L CA -0.527 54.264 54.840 -0.083 0.000 1.017 202 L CB -0.739 41.291 42.059 -0.049 0.000 1.360 202 L HN -0.024 nan 8.230 nan 0.000 0.560 203 F N 3.222 122.976 119.950 -0.327 0.000 2.538 203 F HA 0.419 4.947 4.527 0.002 0.000 0.371 203 F C -0.177 175.256 175.800 -0.612 0.000 1.087 203 F CA 0.529 58.367 58.000 -0.269 0.000 1.250 203 F CB 0.254 39.189 39.000 -0.109 0.000 1.110 203 F HN 0.173 nan 8.300 nan 0.000 0.570 204 H N 3.347 121.887 119.070 -0.884 0.000 2.996 204 H HA 0.322 4.879 4.556 0.001 0.000 0.368 204 H C 0.099 174.853 175.328 -0.957 0.000 1.185 204 H CA -0.491 55.031 56.048 -0.877 0.000 1.160 204 H CB 1.357 30.611 29.762 -0.847 0.000 1.820 204 H HN 0.844 nan 8.280 nan 0.000 0.547 205 G N 1.622 110.034 108.800 -0.647 0.000 2.667 205 G HA2 0.218 4.179 3.960 0.001 0.000 0.250 205 G HA3 0.218 4.179 3.960 0.001 0.000 0.250 205 G C -2.401 172.376 174.900 -0.205 0.000 1.212 205 G CA -0.903 43.909 45.100 -0.480 0.000 0.874 205 G HN 0.288 nan 8.290 nan 0.000 0.561 206 P HA 0.131 nan 4.420 nan 0.000 0.276 206 P C -0.870 176.479 177.300 0.081 0.000 1.230 206 P CA -0.391 62.639 63.100 -0.116 0.000 0.776 206 P CB 1.155 32.605 31.700 -0.417 0.000 0.888 207 N N 1.498 120.244 118.700 0.076 0.000 2.399 207 N HA 0.099 4.840 4.740 0.001 0.000 0.284 207 N C 0.795 176.252 175.510 -0.087 0.000 1.025 207 N CA -0.476 52.501 53.050 -0.122 0.000 0.885 207 N CB 1.289 39.352 38.487 -0.707 0.000 1.339 207 N HN 0.299 nan 8.380 nan 0.000 0.487 208 E N 1.789 121.969 120.200 -0.034 0.000 2.013 208 E HA -0.229 4.121 4.350 0.001 0.000 0.202 208 E C 0.096 176.679 176.600 -0.028 0.000 1.018 208 E CA 1.115 57.510 56.400 -0.009 0.000 0.834 208 E CB -0.055 29.647 29.700 0.002 0.000 0.770 208 E HN 0.616 nan 8.360 nan 0.000 0.459 209 N N 0.108 118.780 118.700 -0.047 0.000 2.492 209 N HA -0.146 4.595 4.740 0.001 0.000 0.260 209 N C -1.033 174.444 175.510 -0.054 0.000 1.215 209 N CA 0.705 53.728 53.050 -0.044 0.000 0.923 209 N CB 0.249 38.708 38.487 -0.048 0.000 1.092 209 N HN 0.424 nan 8.380 nan 0.000 0.448 210 H N 1.313 120.285 119.070 -0.163 0.000 2.847 210 H HA -0.144 4.412 4.556 0.001 0.000 0.336 210 H C 0.286 175.501 175.328 -0.188 0.000 1.221 210 H CA 0.386 56.309 56.048 -0.209 0.000 1.162 210 H CB -0.535 29.002 29.762 -0.375 0.000 1.566 210 H HN 0.604 nan 8.280 nan 0.000 0.430 211 L N -0.327 120.904 121.223 0.012 0.000 2.395 211 L HA 0.076 4.417 4.340 0.001 0.000 0.218 211 L C 1.672 178.569 176.870 0.045 0.000 1.130 211 L CA 1.551 56.395 54.840 0.006 0.000 0.826 211 L CB -0.204 41.885 42.059 0.049 0.000 0.941 211 L HN 0.323 nan 8.230 nan 0.000 0.451 212 D N 1.302 121.756 120.400 0.091 0.000 2.723 212 D HA -0.334 4.307 4.640 0.001 0.000 0.208 212 D C 2.156 178.602 176.300 0.242 0.000 1.050 212 D CA 2.748 56.850 54.000 0.170 0.000 0.893 212 D CB -0.725 40.230 40.800 0.257 0.000 1.062 212 D HN 0.688 nan 8.370 nan 0.000 0.478 213 S N -0.380 115.433 115.700 0.188 0.000 2.603 213 S HA -0.042 4.429 4.470 0.001 0.000 0.229 213 S C 1.732 176.408 174.600 0.126 0.000 0.972 213 S CA 0.051 58.396 58.200 0.242 0.000 0.935 213 S CB -0.177 63.109 63.200 0.145 0.000 0.769 213 S HN 0.205 nan 8.310 nan 0.000 0.536 214 L N 1.098 122.390 121.223 0.115 0.000 2.156 214 L HA 0.192 4.532 4.340 0.001 0.000 0.208 214 L C 2.322 179.267 176.870 0.124 0.000 1.095 214 L CA 1.187 56.062 54.840 0.058 0.000 0.770 214 L CB -0.469 41.645 42.059 0.092 0.000 0.914 214 L HN 0.251 nan 8.230 nan 0.000 0.439 215 V N -0.320 119.689 119.914 0.159 0.000 2.809 215 V HA -0.151 3.970 4.120 0.001 0.000 0.256 215 V C 2.643 178.739 176.094 0.003 0.000 1.080 215 V CA 1.162 63.542 62.300 0.133 0.000 1.102 215 V CB -0.628 31.280 31.823 0.142 0.000 0.705 215 V HN 0.566 nan 8.190 nan 0.000 0.475 216 A N -0.561 122.209 122.820 -0.084 0.000 1.933 216 A HA -0.223 4.098 4.320 0.001 0.000 0.218 216 A C 2.099 179.642 177.584 -0.067 0.000 1.175 216 A CA 1.365 53.247 52.037 -0.259 0.000 0.628 216 A CB -0.321 18.348 19.000 -0.551 0.000 0.814 216 A HN 0.531 nan 8.150 nan 0.000 0.444 217 Q N -0.525 119.241 119.800 -0.056 0.000 2.291 217 Q HA -0.004 4.337 4.340 0.001 0.000 0.205 217 Q C 1.986 178.004 176.000 0.031 0.000 0.970 217 Q CA 1.421 57.181 55.803 -0.071 0.000 0.876 217 Q CB -0.610 27.832 28.738 -0.493 0.000 0.935 217 Q HN 0.693 nan 8.270 nan 0.000 0.455 218 A N -0.552 122.308 122.820 0.067 0.000 2.169 218 A HA 0.170 4.491 4.320 0.001 0.000 0.210 218 A C 1.951 179.393 177.584 -0.238 0.000 1.168 218 A CA 0.038 52.026 52.037 -0.083 0.000 0.813 218 A CB 0.001 18.940 19.000 -0.102 0.000 0.861 218 A HN 0.251 nan 8.150 nan 0.000 0.481 219 L N -1.641 119.407 121.223 -0.292 0.000 2.269 219 L HA 0.275 4.616 4.340 0.001 0.000 0.200 219 L C -0.122 176.457 176.870 -0.485 0.000 1.069 219 L CA 0.233 54.787 54.840 -0.477 0.000 0.804 219 L CB 0.051 41.625 42.059 -0.809 0.000 0.987 219 L HN 0.291 nan 8.230 nan 0.000 0.468 220 F N -0.320 119.549 119.950 -0.136 0.000 2.385 220 F HA 0.519 5.047 4.527 0.001 0.000 0.336 220 F C 0.831 176.573 175.800 -0.096 0.000 1.100 220 F CA -0.602 57.339 58.000 -0.098 0.000 1.116 220 F CB 1.050 39.994 39.000 -0.094 0.000 1.166 220 F HN -0.189 nan 8.300 nan 0.000 0.511 221 G N 0.898 109.776 108.800 0.131 0.000 2.714 221 G HA2 0.540 4.500 3.960 0.001 0.000 0.292 221 G HA3 0.540 4.500 3.960 0.001 0.000 0.292 221 G C -1.748 173.198 174.900 0.077 0.000 1.308 221 G CA -0.761 44.380 45.100 0.069 0.000 0.964 221 G HN 0.400 nan 8.290 nan 0.000 0.484 222 D N -0.871 119.580 120.400 0.085 0.000 2.181 222 D HA 0.716 5.357 4.640 0.001 0.000 0.248 222 D C 0.495 176.822 176.300 0.045 0.000 1.020 222 D CA 0.411 54.452 54.000 0.069 0.000 0.891 222 D CB 1.777 42.629 40.800 0.086 0.000 1.187 222 D HN 0.821 nan 8.370 nan 0.000 0.443 223 G N -0.952 107.856 108.800 0.013 0.000 2.316 223 G HA2 0.618 4.578 3.960 0.001 0.000 0.296 223 G HA3 0.618 4.578 3.960 0.001 0.000 0.296 223 G C -1.981 172.973 174.900 0.090 0.000 1.399 223 G CA -0.276 44.843 45.100 0.032 0.000 0.833 223 G HN 0.598 nan 8.290 nan 0.000 0.565 224 A N -1.127 121.821 122.820 0.213 0.000 2.486 224 A HA 1.054 5.375 4.320 0.001 0.000 0.300 224 A C -0.256 177.440 177.584 0.187 0.000 1.048 224 A CA 0.235 52.364 52.037 0.154 0.000 0.696 224 A CB 1.595 20.622 19.000 0.044 0.000 1.278 224 A HN 2.482 nan 8.150 nan 0.000 0.405 225 A N 0.613 123.483 122.820 0.084 0.000 2.371 225 A HA 0.931 5.251 4.320 0.001 0.000 0.311 225 A C -0.176 177.341 177.584 -0.111 0.000 1.068 225 A CA 0.049 52.041 52.037 -0.075 0.000 0.744 225 A CB 1.342 20.330 19.000 -0.020 0.000 1.239 225 A HN 2.453 nan 8.150 nan 0.000 0.435 226 A N 1.430 124.169 122.820 -0.136 0.000 2.401 226 A HA 0.841 5.162 4.320 0.001 0.000 0.310 226 A C -1.384 176.129 177.584 -0.118 0.000 1.075 226 A CA -0.380 51.583 52.037 -0.123 0.000 0.746 226 A CB 1.045 19.984 19.000 -0.102 0.000 1.277 226 A HN 0.849 nan 8.150 nan 0.000 0.425 227 L N 1.846 122.997 121.223 -0.121 0.000 2.388 227 L HA 0.567 4.908 4.340 0.001 0.000 0.264 227 L C -0.772 175.994 176.870 -0.174 0.000 0.998 227 L CA -0.230 54.534 54.840 -0.127 0.000 0.817 227 L CB 2.039 44.034 42.059 -0.107 0.000 1.338 227 L HN 0.551 nan 8.230 nan 0.000 0.414 228 I N 2.782 123.214 120.570 -0.230 0.000 2.354 228 I HA 0.543 4.714 4.170 0.001 0.000 0.292 228 I C -0.489 175.438 176.117 -0.316 0.000 0.989 228 I CA -0.546 60.516 61.300 -0.397 0.000 1.188 228 I CB 1.747 39.298 38.000 -0.747 0.000 1.342 228 I HN 0.178 nan 8.210 nan 0.000 0.457 229 V N 4.761 124.506 119.914 -0.281 0.000 2.656 229 V HA 0.935 5.056 4.120 0.001 0.000 0.307 229 V C 0.200 176.189 176.094 -0.174 0.000 1.051 229 V CA -0.451 61.735 62.300 -0.189 0.000 0.893 229 V CB 2.136 33.873 31.823 -0.143 0.000 0.999 229 V HN 0.971 nan 8.190 nan 0.000 0.426 230 G N 1.739 110.467 108.800 -0.120 0.000 2.698 230 G HA2 0.572 4.533 3.960 0.001 0.000 0.293 230 G HA3 0.572 4.533 3.960 0.001 0.000 0.293 230 G C -1.203 173.663 174.900 -0.056 0.000 1.437 230 G CA -0.469 44.584 45.100 -0.077 0.000 0.852 230 G HN 0.569 nan 8.290 nan 0.000 0.499 231 S N -0.918 114.755 115.700 -0.046 0.000 2.616 231 S HA 0.597 5.068 4.470 0.001 0.000 0.277 231 S C 0.946 175.510 174.600 -0.060 0.000 1.234 231 S CA 0.718 58.889 58.200 -0.048 0.000 1.028 231 S CB 1.347 64.521 63.200 -0.043 0.000 0.988 231 S HN 2.224 nan 8.310 nan 0.000 0.522 232 G N 3.535 112.288 108.800 -0.078 0.000 2.367 232 G HA2 -0.156 3.805 3.960 0.001 0.000 0.295 232 G HA3 -0.156 3.805 3.960 0.001 0.000 0.295 232 G C -2.651 172.112 174.900 -0.229 0.000 1.019 232 G CA -0.915 44.103 45.100 -0.136 0.000 1.224 232 G HN 0.469 nan 8.290 nan 0.000 0.510 233 P HA 0.077 nan 4.420 nan 0.000 0.266 233 P C 0.080 177.260 177.300 -0.202 0.000 1.195 233 P CA 0.248 63.285 63.100 -0.105 0.000 0.768 233 P CB 0.427 32.113 31.700 -0.023 0.000 0.838 234 H N 3.018 122.126 119.070 0.064 0.000 3.014 234 H HA 0.159 4.716 4.556 0.001 0.000 0.266 234 H C 0.202 175.545 175.328 0.026 0.000 1.455 234 H CA -0.305 55.766 56.048 0.038 0.000 1.402 234 H CB -0.433 29.350 29.762 0.035 0.000 1.626 234 H HN 0.267 nan 8.280 nan 0.000 0.520 235 L N 2.497 123.763 121.223 0.072 0.000 2.536 235 L HA 0.185 4.526 4.340 0.001 0.000 0.282 235 L C 1.059 177.956 176.870 0.046 0.000 1.174 235 L CA 0.083 54.949 54.840 0.043 0.000 0.989 235 L CB -0.026 42.041 42.059 0.013 0.000 1.311 235 L HN 0.621 nan 8.230 nan 0.000 0.455 236 A N 1.991 124.838 122.820 0.045 0.000 1.583 236 A HA 0.099 4.420 4.320 0.001 0.000 0.191 236 A C 1.062 178.652 177.584 0.010 0.000 2.021 236 A CA 0.638 52.688 52.037 0.022 0.000 1.623 236 A CB 0.178 19.189 19.000 0.019 0.000 1.582 236 A HN 0.383 nan 8.150 nan 0.000 0.283 237 V N -2.007 117.921 119.914 0.022 0.000 3.548 237 V HA 0.467 4.588 4.120 0.001 0.000 0.279 237 V C 0.092 176.196 176.094 0.016 0.000 1.446 237 V CA 0.402 62.697 62.300 -0.008 0.000 1.023 237 V CB 0.454 32.247 31.823 -0.049 0.000 0.820 237 V HN 0.303 nan 8.190 nan 0.000 0.438 238 E N 1.706 121.952 120.200 0.077 0.000 2.195 238 E HA 0.624 4.975 4.350 0.001 0.000 0.271 238 E C -0.609 176.043 176.600 0.086 0.000 0.923 238 E CA -0.765 55.715 56.400 0.134 0.000 0.790 238 E CB 2.290 32.121 29.700 0.219 0.000 1.155 238 E HN 0.473 nan 8.360 nan 0.000 0.402 239 R N 3.526 124.078 120.500 0.087 0.000 2.358 239 R HA 0.366 4.707 4.340 0.001 0.000 0.309 239 R C -2.723 173.577 176.300 -0.000 0.000 1.026 239 R CA -1.829 54.286 56.100 0.025 0.000 0.909 239 R CB 0.747 31.050 30.300 0.005 0.000 1.153 239 R HN 0.157 nan 8.270 nan 0.000 0.515 240 P HA -0.011 nan 4.420 nan 0.000 0.264 240 P C -0.235 176.996 177.300 -0.116 0.000 1.183 240 P CA 0.231 63.302 63.100 -0.049 0.000 0.763 240 P CB 0.696 32.368 31.700 -0.046 0.000 0.807 241 I N 0.809 121.289 120.570 -0.150 0.000 3.443 241 I HA 0.201 4.371 4.170 0.001 0.000 0.277 241 I C 0.152 175.925 176.117 -0.574 0.000 1.169 241 I CA 0.596 61.687 61.300 -0.350 0.000 1.419 241 I CB 0.190 38.029 38.000 -0.268 0.000 1.331 241 I HN 0.150 nan 8.210 nan 0.000 0.458 242 F N 0.686 120.617 119.950 -0.031 0.000 2.608 242 F HA 0.386 4.913 4.527 0.001 0.000 0.309 242 F C -0.400 175.386 175.800 -0.023 0.000 1.103 242 F CA -1.020 56.973 58.000 -0.011 0.000 0.954 242 F CB 1.531 40.538 39.000 0.011 0.000 1.267 242 F HN -0.193 nan 8.300 nan 0.000 0.444 243 E N 2.762 123.073 120.200 0.185 0.000 2.249 243 E HA 0.481 4.832 4.350 0.001 0.000 0.280 243 E C -0.832 175.796 176.600 0.046 0.000 1.016 243 E CA -0.561 55.886 56.400 0.077 0.000 0.830 243 E CB 1.760 31.484 29.700 0.040 0.000 1.081 243 E HN 0.396 nan 8.360 nan 0.000 0.395 244 I N 3.596 124.164 120.570 -0.003 0.000 2.291 244 I HA 0.009 4.180 4.170 0.001 0.000 0.292 244 I C 1.000 177.084 176.117 -0.056 0.000 1.064 244 I CA -0.223 61.049 61.300 -0.047 0.000 1.269 244 I CB 0.717 38.679 38.000 -0.063 0.000 1.418 244 I HN 0.436 nan 8.210 nan 0.000 0.485 245 V N 4.110 123.982 119.914 -0.070 0.000 2.331 245 V HA -0.042 4.079 4.120 0.001 0.000 0.242 245 V C 0.924 176.975 176.094 -0.072 0.000 1.034 245 V CA 1.338 63.598 62.300 -0.066 0.000 1.027 245 V CB -0.103 31.674 31.823 -0.076 0.000 0.667 245 V HN 0.889 nan 8.190 nan 0.000 0.457 246 S N -0.704 114.941 115.700 -0.092 0.000 2.550 246 S HA 0.617 5.088 4.470 0.001 0.000 0.270 246 S C -0.691 173.851 174.600 -0.097 0.000 1.145 246 S CA -0.123 58.027 58.200 -0.083 0.000 0.852 246 S CB 2.232 65.388 63.200 -0.073 0.000 1.119 246 S HN 0.469 nan 8.310 nan 0.000 0.465 247 T N -0.624 113.883 114.554 -0.079 0.000 2.886 247 T HA 0.765 5.115 4.350 0.001 0.000 0.292 247 T C -1.881 172.788 174.700 -0.051 0.000 1.012 247 T CA -0.631 61.423 62.100 -0.076 0.000 0.982 247 T CB 1.644 70.466 68.868 -0.076 0.000 1.018 247 T HN 0.597 nan 8.240 nan 0.000 0.451 248 D N 1.741 122.119 120.400 -0.037 0.000 2.671 248 D HA 0.378 5.019 4.640 0.001 0.000 0.232 248 D C -0.980 175.321 176.300 0.001 0.000 1.114 248 D CA -0.468 53.525 54.000 -0.011 0.000 0.858 248 D CB 2.778 43.582 40.800 0.007 0.000 1.544 248 D HN 0.659 nan 8.370 nan 0.000 0.471 249 Q N 0.762 120.565 119.800 0.005 0.000 2.304 249 Q HA 0.536 4.877 4.340 0.001 0.000 0.270 249 Q C -1.572 174.439 176.000 0.018 0.000 1.035 249 Q CA -0.457 55.353 55.803 0.011 0.000 0.781 249 Q CB 1.829 30.568 28.738 0.001 0.000 1.261 249 Q HN 0.434 nan 8.270 nan 0.000 0.444 250 T N 3.340 117.911 114.554 0.028 0.000 2.923 250 T HA 0.477 4.827 4.350 0.001 0.000 0.311 250 T C -0.468 174.247 174.700 0.026 0.000 1.183 250 T CA -0.556 61.559 62.100 0.025 0.000 1.020 250 T CB 0.950 69.834 68.868 0.027 0.000 1.165 250 T HN 0.506 nan 8.240 nan 0.000 0.482 251 I N 2.712 123.293 120.570 0.018 0.000 2.352 251 I HA 0.273 4.444 4.170 0.001 0.000 0.290 251 I C 0.003 176.124 176.117 0.007 0.000 1.036 251 I CA -0.704 60.605 61.300 0.014 0.000 1.336 251 I CB 0.625 38.631 38.000 0.010 0.000 1.407 251 I HN 0.353 nan 8.210 nan 0.000 0.497 252 L N 8.735 129.960 121.223 0.003 0.000 2.367 252 L HA 0.285 4.625 4.340 0.001 0.000 0.275 252 L C -1.981 174.878 176.870 -0.019 0.000 1.129 252 L CA -1.854 52.979 54.840 -0.012 0.000 0.839 252 L CB -0.083 41.961 42.059 -0.024 0.000 1.133 252 L HN 0.328 nan 8.230 nan 0.000 0.453 253 P HA -0.036 nan 4.420 nan 0.000 0.267 253 P C -0.421 176.859 177.300 -0.033 0.000 1.205 253 P CA 0.191 63.278 63.100 -0.021 0.000 0.765 253 P CB 0.507 32.196 31.700 -0.018 0.000 0.828 254 D N 0.663 121.044 120.400 -0.032 0.000 2.981 254 D HA -0.106 4.535 4.640 0.001 0.000 0.223 254 D C 0.275 176.537 176.300 -0.064 0.000 1.151 254 D CA 1.573 55.547 54.000 -0.044 0.000 0.827 254 D CB -1.752 39.022 40.800 -0.044 0.000 1.101 254 D HN 0.589 nan 8.370 nan 0.000 0.426 255 T N -3.293 111.227 114.554 -0.057 0.000 3.228 255 T HA 0.214 4.565 4.350 0.001 0.000 0.278 255 T C 1.186 175.848 174.700 -0.062 0.000 1.014 255 T CA -0.090 61.965 62.100 -0.075 0.000 0.904 255 T CB 1.012 69.843 68.868 -0.063 0.000 1.110 255 T HN 0.203 nan 8.240 nan 0.000 0.541 256 E N 1.469 121.640 120.200 -0.048 0.000 2.219 256 E HA -0.193 4.158 4.350 0.001 0.000 0.198 256 E C 1.800 178.377 176.600 -0.038 0.000 0.998 256 E CA 0.807 57.188 56.400 -0.031 0.000 0.818 256 E CB 0.032 29.720 29.700 -0.019 0.000 0.741 256 E HN 0.174 nan 8.360 nan 0.000 0.477 257 K N 0.086 120.446 120.400 -0.067 0.000 2.365 257 K HA 0.005 4.325 4.320 0.001 0.000 0.199 257 K C 1.819 178.392 176.600 -0.044 0.000 1.045 257 K CA 0.697 56.946 56.287 -0.065 0.000 0.962 257 K CB -0.197 32.224 32.500 -0.131 0.000 0.759 257 K HN 0.212 nan 8.250 nan 0.000 0.469 258 A N 1.689 124.474 122.820 -0.059 0.000 1.882 258 A HA -0.188 4.133 4.320 0.001 0.000 0.220 258 A C 1.152 178.732 177.584 -0.007 0.000 1.253 258 A CA 1.897 53.927 52.037 -0.011 0.000 0.664 258 A CB -0.282 18.703 19.000 -0.025 0.000 0.838 258 A HN 0.400 nan 8.150 nan 0.000 0.460 259 M N -2.003 117.568 119.600 -0.049 0.000 2.322 259 M HA 0.543 5.024 4.480 0.001 0.000 0.286 259 M C -1.521 174.699 176.300 -0.135 0.000 1.111 259 M CA -0.341 54.884 55.300 -0.126 0.000 0.941 259 M CB 2.420 34.966 32.600 -0.090 0.000 1.671 259 M HN 0.015 nan 8.290 nan 0.000 0.470 260 K N 3.361 123.625 120.400 -0.226 0.000 2.443 260 K HA 0.823 5.144 4.320 0.001 0.000 0.252 260 K C -1.877 174.487 176.600 -0.394 0.000 0.933 260 K CA -0.796 55.334 56.287 -0.262 0.000 0.792 260 K CB 2.923 35.292 32.500 -0.218 0.000 1.185 260 K HN 0.574 nan 8.250 nan 0.000 0.425 261 L N 3.544 124.542 121.223 -0.375 0.000 2.441 261 L HA 0.354 4.695 4.340 0.001 0.000 0.270 261 L C -0.849 175.878 176.870 -0.238 0.000 0.973 261 L CA -0.713 53.975 54.840 -0.253 0.000 0.842 261 L CB 1.341 43.387 42.059 -0.021 0.000 1.239 261 L HN 0.520 nan 8.230 nan 0.000 0.406 262 H N 3.129 122.247 119.070 0.081 0.000 2.457 262 H HA 0.475 5.032 4.556 0.001 0.000 0.335 262 H C -0.790 174.587 175.328 0.082 0.000 1.115 262 H CA -0.914 55.175 56.048 0.068 0.000 1.219 262 H CB 2.831 32.629 29.762 0.059 0.000 1.471 262 H HN 0.367 nan 8.280 nan 0.000 0.491 263 L N 4.851 126.183 121.223 0.181 0.000 2.268 263 L HA 0.247 4.587 4.340 0.001 0.000 0.289 263 L C -0.185 176.750 176.870 0.110 0.000 1.064 263 L CA -0.206 54.706 54.840 0.122 0.000 0.824 263 L CB -0.363 41.740 42.059 0.073 0.000 1.202 263 L HN 0.458 nan 8.230 nan 0.000 0.433 264 R N 2.877 123.449 120.500 0.121 0.000 2.960 264 R HA 0.348 4.688 4.340 0.001 0.000 0.249 264 R C 0.752 177.106 176.300 0.090 0.000 1.192 264 R CA -0.783 55.377 56.100 0.102 0.000 1.035 264 R CB 0.324 30.697 30.300 0.122 0.000 1.234 264 R HN 0.481 nan 8.270 nan 0.000 0.493 265 E N 0.459 120.704 120.200 0.076 0.000 2.171 265 E HA -0.141 4.210 4.350 0.001 0.000 0.197 265 E C 1.335 177.983 176.600 0.080 0.000 0.997 265 E CA 1.829 58.268 56.400 0.065 0.000 0.810 265 E CB -0.109 29.624 29.700 0.055 0.000 0.738 265 E HN 0.782 nan 8.360 nan 0.000 0.467 266 G N -0.467 108.399 108.800 0.111 0.000 3.141 266 G HA2 0.392 4.352 3.960 0.001 0.000 0.218 266 G HA3 0.392 4.352 3.960 0.001 0.000 0.218 266 G C 0.468 175.479 174.900 0.185 0.000 1.170 266 G CA 0.202 45.385 45.100 0.138 0.000 0.769 266 G HN 0.475 nan 8.290 nan 0.000 0.546 267 G N -0.505 108.386 108.800 0.152 0.000 2.466 267 G HA2 -0.104 3.856 3.960 0.001 0.000 0.316 267 G HA3 -0.104 3.856 3.960 0.001 0.000 0.316 267 G C -0.743 174.272 174.900 0.192 0.000 1.270 267 G CA -0.592 44.592 45.100 0.140 0.000 0.982 267 G HN 0.511 nan 8.290 nan 0.000 0.506 268 L N 1.641 122.968 121.223 0.174 0.000 2.385 268 L HA 0.510 4.851 4.340 0.001 0.000 0.281 268 L C 1.074 178.140 176.870 0.327 0.000 1.106 268 L CA 0.346 55.298 54.840 0.188 0.000 0.856 268 L CB 0.268 42.392 42.059 0.109 0.000 1.186 268 L HN 0.832 nan 8.230 nan 0.000 0.453 269 T N 4.887 119.591 114.554 0.251 0.000 2.849 269 T HA 0.337 4.688 4.350 0.001 0.000 0.284 269 T C -0.920 173.929 174.700 0.248 0.000 1.004 269 T CA -0.047 62.184 62.100 0.219 0.000 1.021 269 T CB 0.498 69.490 68.868 0.206 0.000 1.013 269 T HN 0.419 nan 8.240 nan 0.000 0.527 270 F N 2.669 122.653 119.950 0.057 0.000 2.787 270 F HA 0.363 4.891 4.527 0.001 0.000 0.340 270 F C -1.082 174.764 175.800 0.078 0.000 1.232 270 F CA -0.730 57.307 58.000 0.061 0.000 1.051 270 F CB 1.286 40.359 39.000 0.121 0.000 1.330 270 F HN 0.390 nan 8.300 nan 0.000 0.522 271 Q N 7.500 127.044 119.800 -0.427 0.000 2.331 271 Q HA 0.493 4.834 4.340 0.001 0.000 0.267 271 Q C -1.514 174.178 176.000 -0.514 0.000 1.006 271 Q CA -0.857 54.763 55.803 -0.306 0.000 0.818 271 Q CB 3.256 31.927 28.738 -0.113 0.000 1.276 271 Q HN 0.717 nan 8.270 nan 0.000 0.450 272 L N 3.009 124.025 121.223 -0.344 0.000 2.349 272 L HA 0.376 4.717 4.340 0.001 0.000 0.278 272 L C -0.843 176.004 176.870 -0.038 0.000 0.996 272 L CA -0.801 53.915 54.840 -0.207 0.000 0.825 272 L CB 1.481 43.512 42.059 -0.047 0.000 1.243 272 L HN 0.785 nan 8.230 nan 0.000 0.412 273 H N 4.406 123.435 119.070 -0.067 0.000 2.683 273 H HA 0.133 4.690 4.556 0.001 0.000 0.339 273 H C 1.172 176.489 175.328 -0.017 0.000 1.081 273 H CA -0.201 55.826 56.048 -0.035 0.000 1.432 273 H CB 0.995 30.734 29.762 -0.039 0.000 1.462 273 H HN 0.479 nan 8.280 nan 0.000 0.557 274 R N 2.716 122.986 120.500 -0.383 0.000 2.237 274 R HA -0.064 4.277 4.340 0.001 0.000 0.219 274 R C -0.319 175.974 176.300 -0.012 0.000 1.080 274 R CA 0.797 56.790 56.100 -0.179 0.000 0.995 274 R CB 0.042 30.200 30.300 -0.237 0.000 0.875 274 R HN 0.593 nan 8.270 nan 0.000 0.462 275 D N 0.684 121.218 120.400 0.222 0.000 2.402 275 D HA 0.118 4.759 4.640 0.001 0.000 0.216 275 D C 1.516 177.871 176.300 0.091 0.000 1.128 275 D CA -0.099 54.005 54.000 0.173 0.000 0.833 275 D CB 0.575 41.501 40.800 0.210 0.000 0.971 275 D HN -0.107 nan 8.370 nan 0.000 0.503 276 V N 1.962 121.927 119.914 0.086 0.000 2.250 276 V HA -0.246 3.875 4.120 0.001 0.000 0.253 276 V C -0.529 175.516 176.094 -0.082 0.000 1.065 276 V CA 2.007 64.304 62.300 -0.006 0.000 1.039 276 V CB -1.421 30.406 31.823 0.006 0.000 0.647 276 V HN 0.197 nan 8.190 nan 0.000 0.446 277 P HA -0.138 nan 4.420 nan 0.000 0.216 277 P C 1.873 179.099 177.300 -0.123 0.000 1.150 277 P CA 1.413 64.437 63.100 -0.126 0.000 0.837 277 P CB -0.076 31.574 31.700 -0.084 0.000 0.786 278 L N -2.216 118.961 121.223 -0.076 0.000 2.156 278 L HA -0.082 4.259 4.340 0.001 0.000 0.208 278 L C 2.432 179.250 176.870 -0.087 0.000 1.095 278 L CA 1.240 56.039 54.840 -0.069 0.000 0.770 278 L CB -0.706 41.332 42.059 -0.034 0.000 0.914 278 L HN -0.006 nan 8.230 nan 0.000 0.439 279 M N -1.149 118.394 119.600 -0.094 0.000 2.175 279 M HA -0.157 4.323 4.480 0.001 0.000 0.264 279 M C 2.238 178.447 176.300 -0.152 0.000 1.063 279 M CA 1.234 56.469 55.300 -0.108 0.000 1.119 279 M CB -0.335 32.204 32.600 -0.101 0.000 1.377 279 M HN 0.059 nan 8.290 nan 0.000 0.415 280 V N 0.448 120.228 119.914 -0.223 0.000 2.307 280 V HA -0.201 3.920 4.120 0.001 0.000 0.245 280 V C 2.697 178.647 176.094 -0.239 0.000 1.045 280 V CA 1.930 64.034 62.300 -0.325 0.000 1.024 280 V CB -1.254 30.227 31.823 -0.569 0.000 0.651 280 V HN 0.505 nan 8.190 nan 0.000 0.449 281 A N 0.049 122.758 122.820 -0.185 0.000 1.948 281 A HA -0.317 4.003 4.320 0.001 0.000 0.220 281 A C 2.351 179.872 177.584 -0.105 0.000 1.177 281 A CA 2.422 54.378 52.037 -0.135 0.000 0.636 281 A CB -0.549 18.392 19.000 -0.099 0.000 0.815 281 A HN 0.556 nan 8.150 nan 0.000 0.449 282 K N -0.856 119.487 120.400 -0.095 0.000 2.217 282 K HA -0.080 4.241 4.320 0.001 0.000 0.202 282 K C 0.910 177.469 176.600 -0.068 0.000 1.051 282 K CA 1.409 57.656 56.287 -0.068 0.000 0.952 282 K CB -0.115 32.349 32.500 -0.059 0.000 0.736 282 K HN 0.517 nan 8.250 nan 0.000 0.453 283 N N 0.331 118.975 118.700 -0.094 0.000 2.197 283 N HA -0.014 4.727 4.740 0.001 0.000 0.201 283 N C 1.355 176.802 175.510 -0.105 0.000 1.148 283 N CA 0.149 53.151 53.050 -0.081 0.000 0.883 283 N CB 0.440 38.882 38.487 -0.075 0.000 1.012 283 N HN 0.132 nan 8.380 nan 0.000 0.507 284 I N 2.169 122.644 120.570 -0.158 0.000 2.500 284 I HA -0.096 4.075 4.170 0.001 0.000 0.252 284 I C 1.875 177.890 176.117 -0.171 0.000 1.142 284 I CA 1.335 62.491 61.300 -0.240 0.000 1.451 284 I CB 0.092 37.895 38.000 -0.329 0.000 1.093 284 I HN -0.014 nan 8.210 nan 0.000 0.430 285 E N 0.211 120.344 120.200 -0.111 0.000 2.110 285 E HA -0.227 4.124 4.350 0.001 0.000 0.193 285 E C 1.895 178.489 176.600 -0.010 0.000 0.988 285 E CA 1.579 57.938 56.400 -0.067 0.000 0.804 285 E CB -0.314 29.427 29.700 0.067 0.000 0.745 285 E HN 0.623 nan 8.360 nan 0.000 0.458 286 N N 0.437 119.140 118.700 0.005 0.000 2.104 286 N HA -0.190 4.551 4.740 0.001 0.000 0.190 286 N C 1.878 177.412 175.510 0.040 0.000 1.024 286 N CA 0.934 54.004 53.050 0.033 0.000 0.853 286 N CB -0.116 38.383 38.487 0.020 0.000 1.008 286 N HN 0.111 nan 8.380 nan 0.000 0.424 287 A N 1.180 124.018 122.820 0.030 0.000 1.877 287 A HA -0.021 4.300 4.320 0.001 0.000 0.216 287 A C 2.339 180.014 177.584 0.152 0.000 1.186 287 A CA 1.668 53.769 52.037 0.108 0.000 0.620 287 A CB -0.956 18.124 19.000 0.132 0.000 0.822 287 A HN 0.346 nan 8.150 nan 0.000 0.443 288 A N 0.200 123.086 122.820 0.110 0.000 1.865 288 A HA -0.240 4.081 4.320 0.001 0.000 0.217 288 A C 1.905 179.435 177.584 -0.090 0.000 1.191 288 A CA 1.856 53.857 52.037 -0.060 0.000 0.623 288 A CB -0.757 17.915 19.000 -0.546 0.000 0.826 288 A HN 0.657 nan 8.150 nan 0.000 0.444 289 E N -0.492 119.715 120.200 0.011 0.000 2.085 289 E HA -0.233 4.118 4.350 0.001 0.000 0.194 289 E C 2.085 178.771 176.600 0.144 0.000 0.994 289 E CA 1.419 57.958 56.400 0.232 0.000 0.801 289 E CB -0.208 29.654 29.700 0.269 0.000 0.743 289 E HN 0.692 nan 8.360 nan 0.000 0.453 290 K N 0.710 121.164 120.400 0.090 0.000 2.209 290 K HA -0.124 4.197 4.320 0.001 0.000 0.204 290 K C 1.952 178.580 176.600 0.046 0.000 1.048 290 K CA 1.152 57.478 56.287 0.066 0.000 0.940 290 K CB 0.006 32.539 32.500 0.054 0.000 0.729 290 K HN 0.118 nan 8.250 nan 0.000 0.451 291 A N 0.075 122.915 122.820 0.034 0.000 1.911 291 A HA 0.064 4.384 4.320 0.001 0.000 0.212 291 A C 1.765 179.342 177.584 -0.012 0.000 1.189 291 A CA 0.518 52.546 52.037 -0.015 0.000 0.639 291 A CB -0.051 18.906 19.000 -0.072 0.000 0.839 291 A HN 0.212 nan 8.150 nan 0.000 0.449 292 L N -0.919 120.331 121.223 0.045 0.000 2.298 292 L HA 0.122 4.463 4.340 0.001 0.000 0.209 292 L C 2.573 179.514 176.870 0.118 0.000 1.084 292 L CA 1.323 56.216 54.840 0.088 0.000 0.816 292 L CB -0.580 41.618 42.059 0.233 0.000 0.967 292 L HN 0.217 nan 8.230 nan 0.000 0.460 293 S N 0.278 116.068 115.700 0.150 0.000 2.365 293 S HA -0.142 4.328 4.470 0.001 0.000 0.225 293 S C -0.325 174.312 174.600 0.063 0.000 1.039 293 S CA 1.902 60.171 58.200 0.116 0.000 1.033 293 S CB -1.048 62.221 63.200 0.116 0.000 0.887 293 S HN 0.281 nan 8.310 nan 0.000 0.447 294 P HA -0.040 nan 4.420 nan 0.000 0.218 294 P C 0.810 178.118 177.300 0.014 0.000 1.146 294 P CA 0.802 63.916 63.100 0.022 0.000 0.813 294 P CB 0.020 31.727 31.700 0.010 0.000 0.778 295 L N -2.582 118.650 121.223 0.015 0.000 2.558 295 L HA 0.309 4.650 4.340 0.001 0.000 0.225 295 L C 1.694 178.573 176.870 0.014 0.000 1.128 295 L CA 1.137 55.980 54.840 0.004 0.000 0.868 295 L CB -1.612 40.440 42.059 -0.012 0.000 1.006 295 L HN 0.140 nan 8.230 nan 0.000 0.454 296 G N 0.004 108.820 108.800 0.028 0.000 2.141 296 G HA2 -0.263 3.698 3.960 0.001 0.000 0.242 296 G HA3 -0.263 3.698 3.960 0.001 0.000 0.242 296 G C 0.298 175.216 174.900 0.028 0.000 0.982 296 G CA 0.096 45.211 45.100 0.024 0.000 0.662 296 G HN 0.307 nan 8.290 nan 0.000 0.527 297 I N 1.154 121.757 120.570 0.055 0.000 2.359 297 I HA 0.528 4.698 4.170 0.001 0.000 0.294 297 I C 1.447 177.611 176.117 0.077 0.000 0.987 297 I CA 0.119 61.459 61.300 0.068 0.000 1.225 297 I CB 1.893 39.951 38.000 0.096 0.000 1.366 297 I HN 0.200 nan 8.210 nan 0.000 0.466 298 T N -1.305 113.215 114.554 -0.058 0.000 2.954 298 T HA 0.102 4.453 4.350 0.001 0.000 0.252 298 T C 0.275 174.603 174.700 -0.621 0.000 0.983 298 T CA -0.220 61.699 62.100 -0.302 0.000 0.941 298 T CB 0.048 68.780 68.868 -0.226 0.000 1.141 298 T HN 0.449 nan 8.240 nan 0.000 0.500 299 D N 0.663 120.898 120.400 -0.274 0.000 2.380 299 D HA 0.230 4.871 4.640 0.001 0.000 0.230 299 D C 0.325 176.678 176.300 0.089 0.000 1.154 299 D CA -0.958 52.916 54.000 -0.211 0.000 0.859 299 D CB 0.301 41.059 40.800 -0.070 0.000 1.045 299 D HN 0.440 nan 8.370 nan 0.000 0.495 300 W N 2.481 123.905 121.300 0.207 0.000 2.392 300 W HA -0.077 4.584 4.660 0.001 0.000 0.279 300 W C 1.635 178.429 176.519 0.459 0.000 1.225 300 W CA -0.503 57.090 57.345 0.413 0.000 1.233 300 W CB 0.028 29.668 29.460 0.300 0.000 1.122 300 W HN 0.372 nan 8.180 nan 0.000 0.561 301 N N 0.245 119.205 118.700 0.434 0.000 2.467 301 N HA -0.084 4.657 4.740 0.001 0.000 0.184 301 N C 1.665 177.334 175.510 0.266 0.000 1.106 301 N CA 1.352 54.608 53.050 0.342 0.000 0.892 301 N CB -0.153 38.454 38.487 0.200 0.000 0.969 301 N HN 0.106 nan 8.380 nan 0.000 0.454 302 S N -0.324 115.507 115.700 0.218 0.000 2.607 302 S HA 0.036 4.507 4.470 0.001 0.000 0.224 302 S C 0.885 175.560 174.600 0.126 0.000 0.969 302 S CA -0.240 58.047 58.200 0.144 0.000 0.927 302 S CB -0.474 62.783 63.200 0.094 0.000 0.772 302 S HN 0.059 nan 8.310 nan 0.000 0.533 303 V N -1.264 118.730 119.914 0.132 0.000 3.046 303 V HA 0.889 5.010 4.120 0.001 0.000 0.316 303 V C -0.431 175.588 176.094 -0.124 0.000 1.104 303 V CA -1.846 60.390 62.300 -0.106 0.000 1.006 303 V CB 1.054 32.622 31.823 -0.425 0.000 1.058 303 V HN 0.305 nan 8.190 nan 0.000 0.440 304 F N -0.167 119.610 119.950 -0.288 0.000 2.399 304 F HA 0.903 5.431 4.527 0.001 0.000 0.328 304 F C -0.983 174.531 175.800 -0.476 0.000 1.084 304 F CA -1.549 56.341 58.000 -0.184 0.000 1.053 304 F CB 0.899 39.858 39.000 -0.068 0.000 1.209 304 F HN 0.565 nan 8.300 nan 0.000 0.502 305 W N 3.040 124.407 121.300 0.111 0.000 2.656 305 W HA 0.686 5.347 4.660 0.001 0.000 0.327 305 W C -1.168 175.380 176.519 0.048 0.000 1.041 305 W CA -0.855 56.479 57.345 -0.019 0.000 1.229 305 W CB 2.185 31.660 29.460 0.025 0.000 1.397 305 W HN 0.359 nan 8.180 nan 0.000 0.479 306 M N 3.852 123.538 119.600 0.143 0.000 2.018 306 M HA 0.381 4.862 4.480 0.001 0.000 0.311 306 M C -1.051 175.326 176.300 0.129 0.000 0.928 306 M CA -0.454 54.914 55.300 0.112 0.000 0.911 306 M CB 1.023 33.627 32.600 0.007 0.000 1.447 306 M HN 0.012 nan 8.290 nan 0.000 0.407 307 V N 1.509 121.548 119.914 0.208 0.000 2.384 307 V HA 0.238 4.359 4.120 0.001 0.000 0.287 307 V C -0.189 176.038 176.094 0.223 0.000 1.020 307 V CA -0.887 61.576 62.300 0.271 0.000 0.850 307 V CB 1.130 33.168 31.823 0.358 0.000 0.987 307 V HN 0.698 nan 8.190 nan 0.000 0.436 308 H N 8.050 127.175 119.070 0.092 0.000 3.145 308 H HA 0.106 4.662 4.556 0.001 0.000 0.288 308 H C -2.071 173.397 175.328 0.232 0.000 0.969 308 H CA -0.937 55.175 56.048 0.107 0.000 1.444 308 H CB 0.951 30.718 29.762 0.007 0.000 1.500 308 H HN 0.414 nan 8.280 nan 0.000 0.552 309 P HA 0.110 nan 4.420 nan 0.000 0.225 309 P C 0.956 178.131 177.300 -0.209 0.000 1.830 309 P CA -0.002 63.008 63.100 -0.149 0.000 1.051 309 P CB 0.420 32.048 31.700 -0.120 0.000 1.929 310 G N 1.821 110.646 108.800 0.042 0.000 2.475 310 G HA2 0.025 3.985 3.960 0.001 0.000 0.220 310 G HA3 0.025 3.985 3.960 0.001 0.000 0.220 310 G C 0.703 175.604 174.900 0.003 0.000 1.125 310 G CA 0.691 45.892 45.100 0.168 0.000 0.755 310 G HN 0.654 nan 8.290 nan 0.000 0.565 311 G N -2.580 106.208 108.800 -0.021 0.000 2.576 311 G HA2 0.419 4.380 3.960 0.001 0.000 0.290 311 G HA3 0.419 4.380 3.960 0.001 0.000 0.290 311 G C 0.312 175.186 174.900 -0.044 0.000 1.442 311 G CA -0.073 44.991 45.100 -0.060 0.000 0.792 311 G HN 0.014 nan 8.290 nan 0.000 0.491 312 R N -0.164 120.305 120.500 -0.052 0.000 2.105 312 R HA -0.111 4.229 4.340 0.001 0.000 0.239 312 R C 2.636 178.917 176.300 -0.031 0.000 1.135 312 R CA 2.239 58.317 56.100 -0.037 0.000 0.967 312 R CB -0.436 29.839 30.300 -0.041 0.000 0.861 312 R HN 0.588 nan 8.270 nan 0.000 0.442 313 A N 0.997 123.794 122.820 -0.038 0.000 1.972 313 A HA -0.119 4.202 4.320 0.001 0.000 0.219 313 A C 2.160 179.710 177.584 -0.057 0.000 1.169 313 A CA 1.140 53.152 52.037 -0.042 0.000 0.635 313 A CB -0.398 18.577 19.000 -0.041 0.000 0.810 313 A HN 0.325 nan 8.150 nan 0.000 0.446 314 I N -0.281 120.253 120.570 -0.062 0.000 2.179 314 I HA -0.273 3.898 4.170 0.001 0.000 0.242 314 I C 2.357 178.443 176.117 -0.052 0.000 1.088 314 I CA 1.198 62.438 61.300 -0.101 0.000 1.357 314 I CB -0.437 37.500 38.000 -0.105 0.000 1.051 314 I HN 0.307 nan 8.210 nan 0.000 0.409 315 L N 0.326 121.550 121.223 0.002 0.000 2.042 315 L HA -0.253 4.088 4.340 0.001 0.000 0.210 315 L C 2.177 179.042 176.870 -0.009 0.000 1.076 315 L CA 1.358 56.214 54.840 0.026 0.000 0.749 315 L CB -0.813 41.268 42.059 0.037 0.000 0.893 315 L HN 0.280 nan 8.230 nan 0.000 0.432 316 D N -0.647 119.739 120.400 -0.023 0.000 2.144 316 D HA -0.158 4.482 4.640 0.001 0.000 0.200 316 D C 2.409 178.680 176.300 -0.048 0.000 0.978 316 D CA 0.838 54.820 54.000 -0.030 0.000 0.833 316 D CB -0.105 40.679 40.800 -0.028 0.000 0.961 316 D HN 0.294 nan 8.370 nan 0.000 0.470 317 Q N 0.384 120.144 119.800 -0.067 0.000 2.046 317 Q HA -0.056 4.285 4.340 0.001 0.000 0.200 317 Q C 2.538 178.476 176.000 -0.104 0.000 0.975 317 Q CA 0.495 56.246 55.803 -0.087 0.000 0.836 317 Q CB -0.478 28.192 28.738 -0.113 0.000 0.896 317 Q HN 0.211 nan 8.270 nan 0.000 0.428 318 V N 1.498 121.345 119.914 -0.111 0.000 2.332 318 V HA -0.265 3.856 4.120 0.001 0.000 0.248 318 V C 2.360 178.362 176.094 -0.154 0.000 1.055 318 V CA 2.133 64.353 62.300 -0.133 0.000 1.038 318 V CB -0.560 31.229 31.823 -0.057 0.000 0.651 318 V HN 0.448 nan 8.190 nan 0.000 0.450 319 E N 0.221 120.355 120.200 -0.109 0.000 2.077 319 E HA -0.282 4.068 4.350 0.001 0.000 0.193 319 E C 2.440 178.994 176.600 -0.077 0.000 0.989 319 E CA 1.611 57.950 56.400 -0.102 0.000 0.800 319 E CB -0.101 29.568 29.700 -0.051 0.000 0.746 319 E HN 0.534 nan 8.360 nan 0.000 0.452 320 R N 0.428 120.892 120.500 -0.060 0.000 2.061 320 R HA -0.114 4.227 4.340 0.001 0.000 0.230 320 R C 2.289 178.569 176.300 -0.034 0.000 1.140 320 R CA 1.465 57.542 56.100 -0.038 0.000 0.940 320 R CB -0.031 30.247 30.300 -0.037 0.000 0.839 320 R HN -0.045 nan 8.270 nan 0.000 0.429 321 K N 0.532 120.898 120.400 -0.058 0.000 2.211 321 K HA -0.071 4.250 4.320 0.001 0.000 0.203 321 K C 1.842 178.434 176.600 -0.014 0.000 1.050 321 K CA 0.934 57.197 56.287 -0.041 0.000 0.945 321 K CB 0.057 32.512 32.500 -0.075 0.000 0.732 321 K HN 0.350 nan 8.250 nan 0.000 0.451 322 L N 0.305 121.483 121.223 -0.076 0.000 2.607 322 L HA 0.094 4.435 4.340 0.001 0.000 0.228 322 L C 0.323 177.294 176.870 0.169 0.000 1.123 322 L CA -0.131 54.706 54.840 -0.006 0.000 0.890 322 L CB -0.304 41.492 42.059 -0.438 0.000 1.103 322 L HN 0.273 nan 8.230 nan 0.000 0.468 323 N N 1.395 120.132 118.700 0.061 0.000 2.738 323 N HA -0.174 4.566 4.740 0.001 0.000 0.249 323 N C -0.433 175.107 175.510 0.050 0.000 1.047 323 N CA 0.023 53.108 53.050 0.058 0.000 0.707 323 N CB -0.369 38.166 38.487 0.079 0.000 0.937 323 N HN 0.060 nan 8.380 nan 0.000 0.545 324 L N 1.626 122.844 121.223 -0.008 0.000 2.426 324 L HA 0.195 4.536 4.340 0.001 0.000 0.271 324 L C 1.145 178.031 176.870 0.027 0.000 1.169 324 L CA 0.564 55.398 54.840 -0.011 0.000 0.836 324 L CB 0.547 42.536 42.059 -0.116 0.000 1.112 324 L HN 0.013 nan 8.230 nan 0.000 0.465 325 K N 2.403 122.839 120.400 0.061 0.000 2.469 325 K HA -0.039 4.282 4.320 0.001 0.000 0.274 325 K C 0.784 177.416 176.600 0.052 0.000 0.983 325 K CA -0.160 56.163 56.287 0.059 0.000 0.974 325 K CB 0.531 33.078 32.500 0.078 0.000 0.913 325 K HN 0.439 nan 8.250 nan 0.000 0.493 326 E N 1.616 121.842 120.200 0.043 0.000 2.516 326 E HA -0.117 4.234 4.350 0.001 0.000 0.199 326 E C -0.029 176.601 176.600 0.051 0.000 1.069 326 E CA 0.768 57.191 56.400 0.038 0.000 0.876 326 E CB 0.183 29.901 29.700 0.029 0.000 0.843 326 E HN 0.421 nan 8.360 nan 0.000 0.530 327 D N -0.613 119.826 120.400 0.065 0.000 2.379 327 D HA -0.013 4.627 4.640 0.001 0.000 0.208 327 D C 1.506 177.868 176.300 0.103 0.000 1.065 327 D CA 0.040 54.085 54.000 0.076 0.000 0.848 327 D CB 0.398 41.240 40.800 0.070 0.000 0.949 327 D HN -0.088 nan 8.370 nan 0.000 0.509 328 K N 0.472 120.942 120.400 0.117 0.000 2.103 328 K HA 0.019 4.340 4.320 0.001 0.000 0.207 328 K C 1.466 178.178 176.600 0.187 0.000 1.048 328 K CA 0.765 57.157 56.287 0.176 0.000 0.930 328 K CB -0.149 32.446 32.500 0.159 0.000 0.716 328 K HN 0.181 nan 8.250 nan 0.000 0.444 329 L N 0.353 121.655 121.223 0.132 0.000 2.791 329 L HA 0.235 4.576 4.340 0.001 0.000 0.239 329 L C 1.836 178.785 176.870 0.132 0.000 1.203 329 L CA -0.231 54.695 54.840 0.143 0.000 1.002 329 L CB -0.009 42.113 42.059 0.105 0.000 1.295 329 L HN 0.111 nan 8.230 nan 0.000 0.504 330 R N 1.616 122.190 120.500 0.124 0.000 2.096 330 R HA -0.223 4.118 4.340 0.001 0.000 0.240 330 R C 2.165 178.554 176.300 0.148 0.000 1.139 330 R CA 1.937 58.108 56.100 0.118 0.000 0.952 330 R CB -0.088 30.268 30.300 0.093 0.000 0.854 330 R HN 0.384 nan 8.270 nan 0.000 0.436 331 A N 0.277 123.177 122.820 0.134 0.000 1.940 331 A HA -0.141 4.179 4.320 0.001 0.000 0.219 331 A C 2.255 179.959 177.584 0.200 0.000 1.176 331 A CA 1.999 54.122 52.037 0.143 0.000 0.631 331 A CB -0.456 18.610 19.000 0.111 0.000 0.814 331 A HN 0.504 nan 8.150 nan 0.000 0.446 332 S N -0.483 115.321 115.700 0.173 0.000 2.371 332 S HA -0.111 4.360 4.470 0.001 0.000 0.224 332 S C 2.025 176.704 174.600 0.133 0.000 1.029 332 S CA 1.216 59.508 58.200 0.152 0.000 0.978 332 S CB -0.289 62.998 63.200 0.144 0.000 0.833 332 S HN 0.617 nan 8.310 nan 0.000 0.466 333 R N 0.070 120.647 120.500 0.128 0.000 2.115 333 R HA -0.079 4.262 4.340 0.001 0.000 0.230 333 R C 2.279 178.643 176.300 0.106 0.000 1.111 333 R CA 1.377 57.533 56.100 0.092 0.000 0.976 333 R CB -0.360 29.988 30.300 0.081 0.000 0.870 333 R HN 0.535 nan 8.270 nan 0.000 0.445 334 H N 0.305 119.420 119.070 0.075 0.000 2.321 334 H HA -0.091 4.465 4.556 0.001 0.000 0.300 334 H C 1.921 177.330 175.328 0.135 0.000 1.087 334 H CA 1.873 57.974 56.048 0.089 0.000 1.319 334 H CB 0.097 29.920 29.762 0.100 0.000 1.379 334 H HN 0.085 nan 8.280 nan 0.000 0.501 335 V N -0.460 119.612 119.914 0.264 0.000 2.788 335 V HA -0.028 4.093 4.120 0.001 0.000 0.251 335 V C 2.167 178.376 176.094 0.192 0.000 1.068 335 V CA 1.225 63.722 62.300 0.330 0.000 1.090 335 V CB -0.570 31.483 31.823 0.383 0.000 0.710 335 V HN 0.408 nan 8.190 nan 0.000 0.467 336 L N 1.209 122.476 121.223 0.073 0.000 2.012 336 L HA -0.099 4.242 4.340 0.001 0.000 0.210 336 L C 2.682 179.529 176.870 -0.039 0.000 1.073 336 L CA 2.655 57.494 54.840 -0.003 0.000 0.748 336 L CB -1.057 40.982 42.059 -0.032 0.000 0.891 336 L HN 0.469 nan 8.230 nan 0.000 0.431 337 S N -0.921 114.739 115.700 -0.066 0.000 2.353 337 S HA -0.176 4.295 4.470 0.001 0.000 0.222 337 S C 1.854 176.341 174.600 -0.189 0.000 1.035 337 S CA 1.504 59.627 58.200 -0.127 0.000 1.025 337 S CB -0.318 62.794 63.200 -0.147 0.000 0.902 337 S HN 0.593 nan 8.310 nan 0.000 0.440 338 E N -0.783 119.257 120.200 -0.268 0.000 2.371 338 E HA 0.039 4.390 4.350 0.001 0.000 0.194 338 E C 0.656 176.913 176.600 -0.571 0.000 1.012 338 E CA 0.747 56.866 56.400 -0.468 0.000 0.860 338 E CB 0.022 29.325 29.700 -0.662 0.000 0.811 338 E HN 0.765 nan 8.360 nan 0.000 0.502 339 Y N -1.225 119.056 120.300 -0.032 0.000 2.459 339 Y HA 0.330 4.881 4.550 0.001 0.000 0.271 339 Y C 1.198 177.047 175.900 -0.085 0.000 1.063 339 Y CA 0.162 58.255 58.100 -0.012 0.000 1.216 339 Y CB 0.937 39.342 38.460 -0.091 0.000 1.335 339 Y HN 0.043 nan 8.280 nan 0.000 0.550 340 G N 1.583 110.392 108.800 0.016 0.000 2.681 340 G HA2 -0.294 3.667 3.960 0.001 0.000 0.220 340 G HA3 -0.294 3.667 3.960 0.001 0.000 0.220 340 G C -0.712 174.157 174.900 -0.053 0.000 1.353 340 G CA -0.434 44.630 45.100 -0.060 0.000 0.872 340 G HN 0.244 nan 8.290 nan 0.000 0.557 341 N N 0.542 119.189 118.700 -0.088 0.000 2.401 341 N HA 0.317 5.058 4.740 0.001 0.000 0.255 341 N C 1.188 176.773 175.510 0.124 0.000 1.110 341 N CA -0.210 52.820 53.050 -0.033 0.000 0.949 341 N CB 0.317 38.723 38.487 -0.135 0.000 1.110 341 N HN 0.510 nan 8.380 nan 0.000 0.490 342 L N 6.030 127.278 121.223 0.042 0.000 2.728 342 L HA 0.209 4.549 4.340 0.001 0.000 0.235 342 L C 1.202 178.137 176.870 0.109 0.000 1.197 342 L CA -0.146 54.690 54.840 -0.007 0.000 0.992 342 L CB -0.638 41.233 42.059 -0.313 0.000 1.263 342 L HN 0.574 nan 8.230 nan 0.000 0.484 343 I N -1.536 119.211 120.570 0.295 0.000 4.908 343 I HA -0.532 3.639 4.170 0.001 0.000 0.038 343 I C 1.977 178.205 176.117 0.185 0.000 0.635 343 I CA 1.426 62.898 61.300 0.285 0.000 0.201 343 I CB -1.319 36.748 38.000 0.112 0.000 0.318 343 I HN 0.438 nan 8.210 nan 0.000 0.150 344 S N 1.402 117.143 115.700 0.069 0.000 2.442 344 S HA 0.055 4.526 4.470 0.001 0.000 0.236 344 S C 1.619 176.248 174.600 0.048 0.000 1.007 344 S CA 1.081 59.296 58.200 0.025 0.000 0.965 344 S CB -0.324 62.877 63.200 0.002 0.000 0.773 344 S HN 0.874 nan 8.310 nan 0.000 0.504 345 A N -0.016 122.841 122.820 0.062 0.000 2.178 345 A HA 0.185 4.506 4.320 0.001 0.000 0.211 345 A C 2.234 179.909 177.584 0.151 0.000 1.157 345 A CA 0.541 52.640 52.037 0.103 0.000 0.780 345 A CB -1.257 17.813 19.000 0.116 0.000 0.828 345 A HN 0.639 nan 8.150 nan 0.000 0.476 346 C N -0.197 119.161 119.300 0.097 0.000 2.432 346 C HA -0.121 4.340 4.460 0.001 0.000 0.277 346 C C 2.775 177.862 174.990 0.161 0.000 1.249 346 C CA 1.777 60.833 59.018 0.063 0.000 1.725 346 C CB -1.134 26.657 27.740 0.084 0.000 2.028 346 C HN 0.653 nan 8.230 nan 0.000 0.477 347 V N -0.038 119.994 119.914 0.198 0.000 2.809 347 V HA -0.083 4.038 4.120 0.001 0.000 0.256 347 V C 2.092 178.249 176.094 0.105 0.000 1.080 347 V CA 1.838 64.221 62.300 0.138 0.000 1.102 347 V CB -1.047 30.829 31.823 0.088 0.000 0.705 347 V HN 0.605 nan 8.190 nan 0.000 0.475 348 L N -1.657 119.638 121.223 0.120 0.000 2.109 348 L HA 0.017 4.357 4.340 0.001 0.000 0.207 348 L C 2.573 179.503 176.870 0.101 0.000 1.086 348 L CA 1.431 56.319 54.840 0.080 0.000 0.760 348 L CB -0.757 41.332 42.059 0.050 0.000 0.910 348 L HN 0.223 nan 8.230 nan 0.000 0.437 349 F N 0.561 120.474 119.950 -0.061 0.000 2.161 349 F HA -0.228 4.300 4.527 0.001 0.000 0.300 349 F C 2.335 178.128 175.800 -0.011 0.000 1.089 349 F CA 1.470 59.417 58.000 -0.088 0.000 1.282 349 F CB -0.487 38.392 39.000 -0.202 0.000 1.010 349 F HN -0.042 nan 8.300 nan 0.000 0.485 350 I N -0.714 119.976 120.570 0.201 0.000 2.406 350 I HA -0.252 3.919 4.170 0.001 0.000 0.249 350 I C 2.246 178.426 176.117 0.106 0.000 1.122 350 I CA 0.800 62.194 61.300 0.157 0.000 1.431 350 I CB -0.358 37.727 38.000 0.141 0.000 1.087 350 I HN 0.034 nan 8.210 nan 0.000 0.424 351 I N 0.706 121.318 120.570 0.070 0.000 2.151 351 I HA -0.346 3.825 4.170 0.001 0.000 0.243 351 I C 2.241 178.435 176.117 0.128 0.000 1.080 351 I CA 1.594 62.931 61.300 0.062 0.000 1.339 351 I CB -0.496 37.518 38.000 0.023 0.000 1.039 351 I HN 0.275 nan 8.210 nan 0.000 0.409 352 D N 0.714 121.149 120.400 0.058 0.000 2.117 352 D HA -0.234 4.406 4.640 0.001 0.000 0.197 352 D C 2.017 178.336 176.300 0.032 0.000 0.987 352 D CA 1.262 55.270 54.000 0.014 0.000 0.829 352 D CB 0.006 40.748 40.800 -0.097 0.000 0.961 352 D HN 0.195 nan 8.370 nan 0.000 0.460 353 E N 0.113 120.349 120.200 0.060 0.000 2.058 353 E HA -0.146 4.205 4.350 0.001 0.000 0.194 353 E C 2.198 178.813 176.600 0.024 0.000 0.997 353 E CA 1.703 58.138 56.400 0.057 0.000 0.801 353 E CB -0.579 29.198 29.700 0.129 0.000 0.746 353 E HN 0.257 nan 8.360 nan 0.000 0.450 354 V N 0.678 120.626 119.914 0.058 0.000 2.453 354 V HA -0.101 4.019 4.120 0.001 0.000 0.247 354 V C 2.428 178.530 176.094 0.014 0.000 1.048 354 V CA 2.055 64.372 62.300 0.029 0.000 1.049 354 V CB -0.551 31.286 31.823 0.024 0.000 0.672 354 V HN 0.340 nan 8.190 nan 0.000 0.457 355 R N 0.977 121.517 120.500 0.067 0.000 2.115 355 R HA -0.104 4.237 4.340 0.001 0.000 0.230 355 R C 2.111 178.369 176.300 -0.069 0.000 1.111 355 R CA 2.027 58.105 56.100 -0.037 0.000 0.976 355 R CB -0.514 29.755 30.300 -0.051 0.000 0.870 355 R HN 0.591 nan 8.270 nan 0.000 0.445 356 K N 0.161 120.537 120.400 -0.039 0.000 2.076 356 K HA -0.056 4.265 4.320 0.001 0.000 0.204 356 K C 2.377 178.946 176.600 -0.051 0.000 1.051 356 K CA 1.160 57.419 56.287 -0.046 0.000 0.949 356 K CB -0.105 32.377 32.500 -0.030 0.000 0.726 356 K HN 0.044 nan 8.250 nan 0.000 0.443 357 R N 0.952 121.419 120.500 -0.056 0.000 2.115 357 R HA -0.030 4.311 4.340 0.001 0.000 0.230 357 R C 1.998 178.264 176.300 -0.057 0.000 1.111 357 R CA 1.473 57.535 56.100 -0.063 0.000 0.976 357 R CB -0.028 30.222 30.300 -0.084 0.000 0.870 357 R HN 0.003 nan 8.270 nan 0.000 0.445 358 S N -0.051 115.609 115.700 -0.066 0.000 2.402 358 S HA -0.087 4.383 4.470 0.001 0.000 0.229 358 S C 1.666 176.223 174.600 -0.071 0.000 1.021 358 S CA 1.066 59.222 58.200 -0.075 0.000 0.974 358 S CB -0.056 63.079 63.200 -0.109 0.000 0.800 358 S HN 0.245 nan 8.310 nan 0.000 0.484 359 M N 1.430 120.985 119.600 -0.075 0.000 2.156 359 M HA 0.116 4.596 4.480 0.001 0.000 0.264 359 M C 2.539 178.811 176.300 -0.047 0.000 1.067 359 M CA 1.234 56.494 55.300 -0.066 0.000 1.131 359 M CB -1.855 30.703 32.600 -0.069 0.000 1.368 359 M HN 0.348 nan 8.290 nan 0.000 0.416 360 A N 0.166 122.960 122.820 -0.043 0.000 1.908 360 A HA -0.174 4.147 4.320 0.001 0.000 0.218 360 A C 2.028 179.595 177.584 -0.028 0.000 1.181 360 A CA 1.738 53.756 52.037 -0.032 0.000 0.627 360 A CB -0.743 18.239 19.000 -0.029 0.000 0.818 360 A HN 0.595 nan 8.150 nan 0.000 0.445 361 E N -1.683 118.499 120.200 -0.031 0.000 2.502 361 E HA 0.254 4.605 4.350 0.001 0.000 0.194 361 E C 1.005 177.591 176.600 -0.023 0.000 1.062 361 E CA 0.258 56.644 56.400 -0.024 0.000 0.867 361 E CB -0.119 29.568 29.700 -0.022 0.000 0.888 361 E HN 0.760 nan 8.360 nan 0.000 0.510 362 G N 2.112 110.894 108.800 -0.030 0.000 2.147 362 G HA2 -0.250 3.711 3.960 0.001 0.000 0.244 362 G HA3 -0.250 3.711 3.960 0.001 0.000 0.244 362 G C 0.123 175.005 174.900 -0.030 0.000 1.005 362 G CA -0.044 45.039 45.100 -0.028 0.000 0.713 362 G HN -0.019 nan 8.290 nan 0.000 0.515 363 K N 0.677 121.055 120.400 -0.038 0.000 2.336 363 K HA 0.303 4.623 4.320 0.001 0.000 0.262 363 K C 1.923 178.497 176.600 -0.042 0.000 0.992 363 K CA 0.488 56.753 56.287 -0.038 0.000 0.927 363 K CB 0.664 33.134 32.500 -0.050 0.000 0.956 363 K HN 0.491 nan 8.250 nan 0.000 0.495 364 S N -0.900 114.781 115.700 -0.032 0.000 2.481 364 S HA -0.069 4.401 4.470 0.001 0.000 0.231 364 S C 1.002 175.576 174.600 -0.043 0.000 0.996 364 S CA 0.749 58.931 58.200 -0.030 0.000 0.942 364 S CB -0.362 62.829 63.200 -0.015 0.000 0.768 364 S HN 0.753 nan 8.310 nan 0.000 0.520 365 T N -3.546 110.973 114.554 -0.058 0.000 2.841 365 T HA 0.451 4.802 4.350 0.001 0.000 0.296 365 T C 0.459 175.073 174.700 -0.142 0.000 1.166 365 T CA -0.209 61.839 62.100 -0.086 0.000 1.007 365 T CB 1.218 70.055 68.868 -0.052 0.000 1.253 365 T HN -0.157 nan 8.240 nan 0.000 0.511 366 T N -0.008 114.415 114.554 -0.218 0.000 3.072 366 T HA 0.216 4.566 4.350 0.001 0.000 0.266 366 T C 1.176 175.677 174.700 -0.331 0.000 1.127 366 T CA 1.136 63.027 62.100 -0.348 0.000 1.107 366 T CB -0.975 67.554 68.868 -0.565 0.000 0.910 366 T HN 0.909 nan 8.240 nan 0.000 0.513 367 G N 0.896 109.507 108.800 -0.316 0.000 4.649 367 G HA2 0.409 4.370 3.960 0.001 0.000 0.312 367 G HA3 0.409 4.370 3.960 0.001 0.000 0.312 367 G C -0.168 174.427 174.900 -0.507 0.000 1.403 367 G CA -0.511 44.114 45.100 -0.793 0.000 1.248 367 G HN 0.535 nan 8.290 nan 0.000 0.581 368 E N -0.565 119.479 120.200 -0.260 0.000 2.539 368 E HA -0.293 4.058 4.350 0.001 0.000 0.253 368 E C 1.509 178.089 176.600 -0.034 0.000 1.145 368 E CA 0.546 56.889 56.400 -0.095 0.000 0.738 368 E CB -1.498 28.188 29.700 -0.024 0.000 1.308 368 E HN 1.395 nan 8.360 nan 0.000 0.409 369 G N -1.305 107.464 108.800 -0.052 0.000 2.184 369 G HA2 -0.320 3.641 3.960 0.001 0.000 0.264 369 G HA3 -0.320 3.641 3.960 0.001 0.000 0.264 369 G C 0.165 175.084 174.900 0.031 0.000 0.975 369 G CA 0.516 45.608 45.100 -0.012 0.000 0.642 369 G HN 0.184 nan 8.290 nan 0.000 0.536 370 L N 0.386 121.651 121.223 0.071 0.000 2.400 370 L HA 0.610 4.951 4.340 0.001 0.000 0.264 370 L C 1.152 178.136 176.870 0.190 0.000 1.061 370 L CA -0.401 54.531 54.840 0.152 0.000 0.799 370 L CB 1.073 43.288 42.059 0.262 0.000 1.240 370 L HN -0.010 nan 8.230 nan 0.000 0.461 371 D N -0.861 119.639 120.400 0.167 0.000 2.301 371 D HA 0.096 4.737 4.640 0.001 0.000 0.206 371 D C -0.119 176.294 176.300 0.188 0.000 0.979 371 D CA 0.689 54.779 54.000 0.151 0.000 0.874 371 D CB 0.520 41.365 40.800 0.075 0.000 0.968 371 D HN 0.340 nan 8.370 nan 0.000 0.510 372 C N -0.377 118.988 119.300 0.108 0.000 2.898 372 C HA 0.841 5.301 4.460 0.001 0.000 0.304 372 C C 0.399 174.959 174.990 -0.716 0.000 1.237 372 C CA -0.641 58.286 59.018 -0.151 0.000 1.529 372 C CB 1.740 29.375 27.740 -0.176 0.000 2.021 372 C HN 0.273 nan 8.230 nan 0.000 0.474 373 G N 0.581 108.595 108.800 -1.310 0.000 2.690 373 G HA2 0.706 4.667 3.960 0.001 0.000 0.291 373 G HA3 0.706 4.667 3.960 0.001 0.000 0.291 373 G C -2.025 172.120 174.900 -1.259 0.000 1.403 373 G CA -0.292 43.545 45.100 -2.104 0.000 0.864 373 G HN 0.671 nan 8.290 nan 0.000 0.480 374 V N 1.616 120.783 119.914 -1.244 0.000 2.577 374 V HA 0.572 4.693 4.120 0.001 0.000 0.303 374 V C -0.791 174.868 176.094 -0.724 0.000 1.042 374 V CA -0.865 60.851 62.300 -0.973 0.000 0.872 374 V CB 1.580 32.709 31.823 -1.156 0.000 0.998 374 V HN 0.814 nan 8.190 nan 0.000 0.423 375 L N 5.072 125.928 121.223 -0.611 0.000 2.317 375 L HA 0.767 5.108 4.340 0.001 0.000 0.281 375 L C -1.513 175.048 176.870 -0.515 0.000 1.024 375 L CA -0.427 54.169 54.840 -0.407 0.000 0.810 375 L CB 1.044 42.938 42.059 -0.275 0.000 1.240 375 L HN 0.412 nan 8.230 nan 0.000 0.427 376 F N 2.590 122.454 119.950 -0.143 0.000 2.482 376 F HA 0.777 5.305 4.527 0.001 0.000 0.331 376 F C 0.847 176.329 175.800 -0.530 0.000 1.115 376 F CA -0.621 57.170 58.000 -0.348 0.000 0.955 376 F CB 2.245 40.996 39.000 -0.416 0.000 1.136 376 F HN 0.698 nan 8.300 nan 0.000 0.452 377 G N 2.513 111.096 108.800 -0.363 0.000 2.461 377 G HA2 0.635 4.596 3.960 0.001 0.000 0.323 377 G HA3 0.635 4.596 3.960 0.001 0.000 0.323 377 G C -1.855 172.696 174.900 -0.581 0.000 1.229 377 G CA -0.406 44.433 45.100 -0.434 0.000 0.941 377 G HN 0.286 nan 8.290 nan 0.000 0.477 378 F N 1.194 121.129 119.950 -0.025 0.000 2.467 378 F HA 0.762 5.290 4.527 0.001 0.000 0.336 378 F C 0.707 176.483 175.800 -0.040 0.000 1.123 378 F CA -0.816 57.180 58.000 -0.007 0.000 0.964 378 F CB 2.395 41.427 39.000 0.052 0.000 1.136 378 F HN 0.725 nan 8.300 nan 0.000 0.447 379 G N 1.854 110.738 108.800 0.140 0.000 2.921 379 G HA2 0.677 4.637 3.960 0.001 0.000 0.291 379 G HA3 0.677 4.637 3.960 0.001 0.000 0.291 379 G C -3.271 171.673 174.900 0.074 0.000 1.370 379 G CA -2.031 43.121 45.100 0.087 0.000 0.847 379 G HN 0.216 nan 8.290 nan 0.000 0.532 380 P HA 0.297 nan 4.420 nan 0.000 0.266 380 P C 0.817 178.132 177.300 0.026 0.000 1.193 380 P CA 1.703 64.820 63.100 0.027 0.000 0.770 380 P CB 1.135 32.845 31.700 0.017 0.000 0.836 381 G N 1.459 110.268 108.800 0.015 0.000 4.025 381 G HA2 -0.148 3.813 3.960 0.001 0.000 0.195 381 G HA3 -0.148 3.813 3.960 0.001 0.000 0.195 381 G C -0.039 174.861 174.900 0.000 0.000 1.546 381 G CA 0.025 45.133 45.100 0.013 0.000 1.007 381 G HN 0.615 nan 8.290 nan 0.000 0.388 382 M N 3.088 122.687 119.600 -0.002 0.000 2.228 382 M HA 0.605 5.086 4.480 0.001 0.000 0.351 382 M C -0.371 175.951 176.300 0.037 0.000 1.233 382 M CA 0.623 55.934 55.300 0.018 0.000 1.129 382 M CB 0.981 33.584 32.600 0.005 0.000 1.604 382 M HN 0.212 nan 8.290 nan 0.000 0.457 383 T N 4.684 119.274 114.554 0.061 0.000 2.824 383 T HA 0.581 4.932 4.350 0.001 0.000 0.280 383 T C -0.871 173.894 174.700 0.108 0.000 0.995 383 T CA -0.662 61.476 62.100 0.063 0.000 1.009 383 T CB 1.299 70.192 68.868 0.041 0.000 0.955 383 T HN 0.526 nan 8.240 nan 0.000 0.452 384 V N 3.597 123.569 119.914 0.097 0.000 2.459 384 V HA 0.412 4.533 4.120 0.001 0.000 0.295 384 V C -0.062 176.072 176.094 0.066 0.000 1.029 384 V CA -0.854 61.519 62.300 0.121 0.000 0.874 384 V CB 1.756 33.663 31.823 0.139 0.000 0.985 384 V HN 0.810 nan 8.190 nan 0.000 0.438 385 E N 2.462 122.678 120.200 0.026 0.000 2.166 385 E HA 0.520 4.871 4.350 0.001 0.000 0.275 385 E C -0.936 175.708 176.600 0.073 0.000 0.941 385 E CA -0.441 55.968 56.400 0.014 0.000 0.784 385 E CB 2.228 31.901 29.700 -0.044 0.000 1.115 385 E HN 0.622 nan 8.360 nan 0.000 0.399 386 T N 1.844 116.428 114.554 0.049 0.000 2.864 386 T HA 0.301 4.652 4.350 0.001 0.000 0.299 386 T C -0.377 174.241 174.700 -0.137 0.000 1.011 386 T CA -0.501 61.590 62.100 -0.016 0.000 0.975 386 T CB 0.994 69.943 68.868 0.135 0.000 0.962 386 T HN 0.095 nan 8.240 nan 0.000 0.448 387 V N 4.062 123.834 119.914 -0.238 0.000 2.384 387 V HA 0.418 4.538 4.120 0.001 0.000 0.287 387 V C 0.135 176.047 176.094 -0.304 0.000 1.020 387 V CA -0.817 61.349 62.300 -0.225 0.000 0.850 387 V CB 1.774 33.480 31.823 -0.196 0.000 0.987 387 V HN 0.668 nan 8.190 nan 0.000 0.436 388 V N 6.431 126.193 119.914 -0.253 0.000 2.432 388 V HA 0.371 4.492 4.120 0.001 0.000 0.275 388 V C -0.201 175.739 176.094 -0.257 0.000 1.043 388 V CA -0.439 61.680 62.300 -0.302 0.000 0.925 388 V CB 1.420 33.099 31.823 -0.239 0.000 0.985 388 V HN 0.487 nan 8.190 nan 0.000 0.466 389 L N 5.600 126.624 121.223 -0.332 0.000 2.322 389 L HA 0.570 4.911 4.340 0.001 0.000 0.281 389 L C 0.068 176.891 176.870 -0.077 0.000 1.014 389 L CA -0.256 54.460 54.840 -0.206 0.000 0.815 389 L CB 1.505 43.369 42.059 -0.325 0.000 1.247 389 L HN 0.636 nan 8.230 nan 0.000 0.421 390 R N 1.623 122.171 120.500 0.079 0.000 2.346 390 R HA 0.543 4.884 4.340 0.001 0.000 0.311 390 R C -0.122 176.387 176.300 0.348 0.000 0.983 390 R CA -0.321 55.872 56.100 0.155 0.000 0.880 390 R CB 1.090 31.432 30.300 0.070 0.000 1.100 390 R HN 0.750 nan 8.270 nan 0.000 0.453 391 S N 1.505 117.451 115.700 0.410 0.000 2.598 391 S HA 0.152 4.622 4.470 0.001 0.000 0.256 391 S C -0.401 174.240 174.600 0.070 0.000 1.350 391 S CA -0.416 57.967 58.200 0.305 0.000 0.984 391 S CB 1.058 64.382 63.200 0.206 0.000 0.930 391 S HN 0.400 nan 8.310 nan 0.000 0.577 392 V N 1.924 121.785 119.914 -0.088 0.000 2.680 392 V HA 0.724 4.845 4.120 0.001 0.000 0.309 392 V C 0.175 176.213 176.094 -0.094 0.000 1.052 392 V CA -0.380 61.861 62.300 -0.097 0.000 0.908 392 V CB 1.527 33.256 31.823 -0.156 0.000 1.001 392 V HN 0.941 nan 8.190 nan 0.000 0.431 393 R N 0.000 120.465 120.500 -0.059 0.000 2.786 393 R HA 0.000 4.341 4.340 0.001 0.000 0.208 393 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 393 R CB 0.000 30.263 30.300 -0.062 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535