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 2r4j_1_A DATA FIRST_RESID 1 DATA SEQUENCE METKDLIVIG GGINGAGIAA DAAGRGLSVL XLEAQDLACA TSSASSKLIH DATA SEQUENCE GGLRYLEHYE FRLVSEALAE REVLLKXAPH IAFPXRFRLP HRPHLRPAWM DATA SEQUENCE IRIGLFMYDH LGKRTSLPGS TGLRFGANSV LKPEIKRGFE YSDCWVDDAR DATA SEQUENCE LVLANAQXVV RKGGEVLTRT RATSARRENG LWIVEAEDID TGKKYSWQAR DATA SEQUENCE GLVNATGPWV KQFFDDGXHL PSPYGIRLIK GSHIVVPRVH TQKQAYILQN DATA SEQUENCE EDKRIVFVIP WXDEFSIIGT TDVEYKGDPK AVKIEESEIN YLLNVYNTHF DATA SEQUENCE KKQLSRDDIV WTYSGVRPLC DDESDSPQAI TRDYTLDIHD ENGKAPLLSV DATA SEQUENCE FGGKLTTYRK LAEHALEKLT PYYQGIGPAW TKESVLPGGA IEGDRDDYAA DATA SEQUENCE RLRRRYPFLT ESLARHYART YGSNSELLLG NAGTVSDLGE DFGHEFYEAE DATA SEQUENCE LKYLVDHEWV RRADDALWRR TKQGXWLNAD QQSRVSQWLV EYTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.349 176.300 0.081 0.000 1.140 1 M CA 0.000 55.344 55.300 0.074 0.000 0.988 1 M CB 0.000 32.638 32.600 0.064 0.000 1.302 2 E N -0.603 119.658 120.200 0.102 0.000 3.904 2 E HA -0.158 4.191 4.350 -0.001 0.000 0.316 2 E C -1.276 175.422 176.600 0.163 0.000 0.643 2 E CA 2.568 59.051 56.400 0.137 0.000 1.129 2 E CB -1.915 27.853 29.700 0.113 0.000 1.635 2 E HN 0.749 nan 8.360 nan 0.000 0.424 3 T N 2.086 116.719 114.554 0.132 0.000 2.756 3 T HA 0.435 4.784 4.350 -0.001 0.000 0.290 3 T C -0.399 174.375 174.700 0.124 0.000 0.985 3 T CA -0.926 61.259 62.100 0.141 0.000 0.955 3 T CB 1.365 70.306 68.868 0.121 0.000 0.930 3 T HN 0.087 nan 8.240 nan 0.000 0.451 4 K N 2.643 123.115 120.400 0.120 0.000 2.202 4 K HA 0.220 4.539 4.320 -0.001 0.000 0.264 4 K C 0.668 177.334 176.600 0.110 0.000 1.010 4 K CA -0.590 55.737 56.287 0.067 0.000 0.940 4 K CB 1.117 33.608 32.500 -0.014 0.000 0.983 4 K HN 0.459 nan 8.250 nan 0.000 0.475 5 D N 0.367 120.828 120.400 0.100 0.000 2.084 5 D HA -0.095 4.545 4.640 -0.001 0.000 0.196 5 D C 0.246 176.672 176.300 0.209 0.000 0.985 5 D CA 1.248 55.371 54.000 0.206 0.000 0.826 5 D CB 0.173 41.035 40.800 0.103 0.000 0.978 5 D HN 0.117 nan 8.370 nan 0.000 0.456 6 L N 0.480 121.726 121.223 0.038 0.000 2.385 6 L HA 0.428 4.767 4.340 -0.001 0.000 0.273 6 L C -1.161 175.661 176.870 -0.079 0.000 0.990 6 L CA -0.480 54.359 54.840 -0.002 0.000 0.821 6 L CB 1.899 43.896 42.059 -0.102 0.000 1.279 6 L HN -0.162 nan 8.230 nan 0.000 0.412 7 I N 5.202 125.709 120.570 -0.105 0.000 2.378 7 I HA 0.465 4.634 4.170 -0.001 0.000 0.291 7 I C -0.810 175.173 176.117 -0.222 0.000 0.992 7 I CA -0.900 60.283 61.300 -0.195 0.000 1.154 7 I CB 1.993 39.872 38.000 -0.202 0.000 1.315 7 I HN 0.222 nan 8.210 nan 0.000 0.448 8 V N 7.547 127.316 119.914 -0.241 0.000 2.370 8 V HA 0.419 4.538 4.120 -0.001 0.000 0.283 8 V C 0.065 175.986 176.094 -0.288 0.000 1.023 8 V CA -0.454 61.704 62.300 -0.237 0.000 0.857 8 V CB 1.667 33.370 31.823 -0.200 0.000 0.985 8 V HN 0.466 nan 8.190 nan 0.000 0.443 9 I N 4.538 124.912 120.570 -0.325 0.000 2.312 9 I HA 0.738 4.908 4.170 -0.001 0.000 0.290 9 I C 0.622 176.525 176.117 -0.356 0.000 1.008 9 I CA -0.079 60.983 61.300 -0.397 0.000 1.226 9 I CB 1.431 39.085 38.000 -0.577 0.000 1.371 9 I HN 0.854 nan 8.210 nan 0.000 0.468 10 G N 3.605 112.216 108.800 -0.316 0.000 3.160 10 G HA2 0.123 4.083 3.960 -0.001 0.000 0.573 10 G HA3 0.123 4.083 3.960 -0.001 0.000 0.573 10 G C -0.201 174.561 174.900 -0.232 0.000 1.286 10 G CA -0.517 44.430 45.100 -0.255 0.000 1.151 10 G HN 0.927 nan 8.290 nan 0.000 0.555 11 G N 0.451 109.115 108.800 -0.226 0.000 4.433 11 G HA2 0.688 4.647 3.960 -0.001 0.000 0.304 11 G HA3 0.688 4.647 3.960 -0.001 0.000 0.304 11 G C 0.708 175.495 174.900 -0.189 0.000 1.254 11 G CA 0.830 45.793 45.100 -0.229 0.000 0.999 11 G HN 1.185 nan 8.290 nan 0.000 0.576 12 G N -0.106 108.601 108.800 -0.154 0.000 2.671 12 G HA2 0.402 4.361 3.960 -0.001 0.000 0.275 12 G HA3 0.402 4.361 3.960 -0.001 0.000 0.275 12 G C 0.880 175.683 174.900 -0.162 0.000 1.368 12 G CA -0.591 44.430 45.100 -0.132 0.000 1.044 12 G HN 0.040 nan 8.290 nan 0.000 0.543 13 I N 0.039 120.508 120.570 -0.169 0.000 2.264 13 I HA -0.179 3.990 4.170 -0.001 0.000 0.248 13 I C 2.164 178.158 176.117 -0.205 0.000 1.111 13 I CA 1.525 62.673 61.300 -0.253 0.000 1.382 13 I CB -0.518 37.309 38.000 -0.287 0.000 1.060 13 I HN 0.556 nan 8.210 nan 0.000 0.418 14 N N -0.442 118.185 118.700 -0.121 0.000 2.290 14 N HA -0.012 4.728 4.740 -0.001 0.000 0.179 14 N C 1.907 177.360 175.510 -0.095 0.000 1.016 14 N CA 0.917 53.919 53.050 -0.080 0.000 0.871 14 N CB -0.479 37.962 38.487 -0.077 0.000 0.987 14 N HN 0.436 nan 8.380 nan 0.000 0.431 15 G N 0.663 109.387 108.800 -0.127 0.000 2.404 15 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.215 15 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.215 15 G C 1.566 176.378 174.900 -0.146 0.000 1.174 15 G CA 0.765 45.778 45.100 -0.145 0.000 0.780 15 G HN 0.361 nan 8.290 nan 0.000 0.537 16 A N 0.731 123.451 122.820 -0.167 0.000 1.969 16 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 16 A C 2.621 180.143 177.584 -0.103 0.000 1.169 16 A CA 1.961 53.900 52.037 -0.163 0.000 0.635 16 A CB -0.793 18.085 19.000 -0.203 0.000 0.810 16 A HN 0.481 nan 8.150 nan 0.000 0.445 17 G N 0.000 108.752 108.800 -0.080 0.000 2.403 17 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.216 17 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.216 17 G C 1.491 176.410 174.900 0.032 0.000 1.154 17 G CA 1.013 46.158 45.100 0.076 0.000 0.784 17 G HN 0.468 nan 8.290 nan 0.000 0.538 18 I N 1.431 121.990 120.570 -0.018 0.000 2.202 18 I HA -0.122 4.047 4.170 -0.001 0.000 0.242 18 I C 3.283 179.379 176.117 -0.035 0.000 1.091 18 I CA 0.959 62.238 61.300 -0.036 0.000 1.368 18 I CB -0.218 37.750 38.000 -0.053 0.000 1.058 18 I HN 0.218 nan 8.210 nan 0.000 0.410 19 A N 0.901 123.687 122.820 -0.057 0.000 1.883 19 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 19 A C 2.561 180.148 177.584 0.005 0.000 1.186 19 A CA 2.089 54.091 52.037 -0.058 0.000 0.624 19 A CB -1.033 17.905 19.000 -0.104 0.000 0.822 19 A HN 0.424 nan 8.150 nan 0.000 0.444 20 A N -0.126 122.713 122.820 0.032 0.000 1.851 20 A HA -0.273 4.046 4.320 -0.001 0.000 0.216 20 A C 1.978 179.703 177.584 0.235 0.000 1.195 20 A CA 2.198 54.309 52.037 0.123 0.000 0.622 20 A CB -0.910 18.149 19.000 0.099 0.000 0.831 20 A HN 0.537 nan 8.150 nan 0.000 0.444 21 D N -0.068 120.393 120.400 0.101 0.000 2.127 21 D HA -0.200 4.440 4.640 -0.001 0.000 0.190 21 D C 2.165 178.618 176.300 0.256 0.000 1.000 21 D CA 2.213 56.270 54.000 0.096 0.000 0.839 21 D CB -0.418 40.327 40.800 -0.091 0.000 0.955 21 D HN 0.342 nan 8.370 nan 0.000 0.446 22 A N 0.733 123.614 122.820 0.102 0.000 1.940 22 A HA -0.054 4.265 4.320 -0.001 0.000 0.219 22 A C 2.435 180.050 177.584 0.051 0.000 1.176 22 A CA 2.801 54.864 52.037 0.043 0.000 0.631 22 A CB -0.916 18.048 19.000 -0.060 0.000 0.814 22 A HN 0.372 nan 8.150 nan 0.000 0.446 23 A N -0.598 122.266 122.820 0.072 0.000 1.972 23 A HA 0.172 4.492 4.320 -0.001 0.000 0.219 23 A C 2.000 179.588 177.584 0.007 0.000 1.169 23 A CA 1.510 53.566 52.037 0.031 0.000 0.635 23 A CB -1.019 18.005 19.000 0.040 0.000 0.810 23 A HN 0.888 nan 8.150 nan 0.000 0.446 24 G N -1.253 107.613 108.800 0.109 0.000 3.474 24 G HA2 0.349 4.308 3.960 -0.001 0.000 0.269 24 G HA3 0.349 4.308 3.960 -0.001 0.000 0.269 24 G C 0.800 175.520 174.900 -0.300 0.000 1.339 24 G CA -0.226 44.686 45.100 -0.313 0.000 1.258 24 G HN 0.475 nan 8.290 nan 0.000 0.560 25 R N -1.196 119.262 120.500 -0.069 0.000 2.526 25 R HA 0.219 4.558 4.340 -0.001 0.000 0.346 25 R C 1.341 177.610 176.300 -0.052 0.000 0.926 25 R CA 0.340 56.424 56.100 -0.027 0.000 1.147 25 R CB 1.078 31.428 30.300 0.083 0.000 1.629 25 R HN 0.365 nan 8.270 nan 0.000 0.516 26 G N 1.473 110.227 108.800 -0.075 0.000 2.176 26 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.232 26 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.232 26 G C 0.081 174.949 174.900 -0.053 0.000 0.986 26 G CA -0.331 44.731 45.100 -0.062 0.000 0.643 26 G HN 0.064 nan 8.290 nan 0.000 0.522 27 L N 2.080 123.252 121.223 -0.085 0.000 2.397 27 L HA 0.471 4.811 4.340 -0.001 0.000 0.271 27 L C 1.240 178.065 176.870 -0.076 0.000 1.148 27 L CA 0.140 54.907 54.840 -0.123 0.000 0.825 27 L CB 1.216 43.108 42.059 -0.278 0.000 1.117 27 L HN 0.408 nan 8.230 nan 0.000 0.456 28 S N 2.123 117.797 115.700 -0.043 0.000 2.422 28 S HA 0.422 4.891 4.470 -0.001 0.000 0.283 28 S C -0.318 174.246 174.600 -0.060 0.000 1.163 28 S CA -0.881 57.298 58.200 -0.034 0.000 1.054 28 S CB 0.598 63.796 63.200 -0.004 0.000 0.967 28 S HN 0.302 nan 8.310 nan 0.000 0.499 29 V N 4.821 124.688 119.914 -0.078 0.000 2.532 29 V HA 0.633 4.752 4.120 -0.001 0.000 0.295 29 V C 0.017 176.021 176.094 -0.150 0.000 1.041 29 V CA -0.753 61.481 62.300 -0.110 0.000 0.926 29 V CB 1.309 33.075 31.823 -0.095 0.000 0.992 29 V HN 0.901 nan 8.190 nan 0.000 0.457 33 E N 1.781 121.822 120.200 -0.264 0.000 2.210 33 E HA 0.797 5.147 4.350 -0.001 0.000 0.266 33 E C 0.228 176.703 176.600 -0.208 0.000 0.883 33 E CA 0.130 56.379 56.400 -0.251 0.000 0.761 33 E CB 2.070 31.614 29.700 -0.260 0.000 1.156 33 E HN 0.603 nan 8.360 nan 0.000 0.412 34 A N 4.132 126.813 122.820 -0.232 0.000 1.968 34 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 34 A C 1.545 179.041 177.584 -0.148 0.000 1.169 34 A CA 1.589 53.505 52.037 -0.202 0.000 0.638 34 A CB -0.129 18.694 19.000 -0.295 0.000 0.812 34 A HN 0.694 nan 8.150 nan 0.000 0.446 35 Q N -1.693 118.017 119.800 -0.150 0.000 1.989 35 Q HA 0.196 4.535 4.340 -0.001 0.000 0.166 35 Q C -0.866 175.096 176.000 -0.064 0.000 0.536 35 Q CA -0.090 55.661 55.803 -0.087 0.000 0.651 35 Q CB 0.545 29.235 28.738 -0.079 0.000 1.468 35 Q HN 0.435 nan 8.270 nan 0.000 0.350 36 D N -0.394 119.972 120.400 -0.056 0.000 2.450 36 D HA 0.397 5.036 4.640 -0.001 0.000 0.238 36 D C -0.984 175.265 176.300 -0.085 0.000 1.020 36 D CA -0.589 53.387 54.000 -0.040 0.000 1.010 36 D CB 1.314 42.127 40.800 0.022 0.000 1.342 36 D HN 0.260 nan 8.370 nan 0.000 0.530 37 L N 1.458 122.619 121.223 -0.103 0.000 2.453 37 L HA 0.411 4.750 4.340 -0.001 0.000 0.272 37 L C 1.284 178.108 176.870 -0.076 0.000 1.182 37 L CA 0.107 54.863 54.840 -0.140 0.000 0.858 37 L CB 0.557 42.501 42.059 -0.192 0.000 1.120 37 L HN 0.715 nan 8.230 nan 0.000 0.474 38 A N 1.433 124.199 122.820 -0.089 0.000 2.861 38 A HA -0.253 4.066 4.320 -0.001 0.000 0.261 38 A C 1.483 179.053 177.584 -0.023 0.000 1.351 38 A CA 1.015 53.017 52.037 -0.058 0.000 0.904 38 A CB -2.374 16.594 19.000 -0.053 0.000 1.076 38 A HN 1.125 nan 8.150 nan 0.000 0.729 39 C N -2.522 116.766 119.300 -0.021 0.000 2.511 39 C HA 0.582 5.042 4.460 -0.001 0.000 0.277 39 C C 1.756 176.768 174.990 0.038 0.000 1.451 39 C CA 0.720 59.743 59.018 0.009 0.000 1.735 39 C CB -1.617 26.121 27.740 -0.004 0.000 1.704 39 C HN 1.831 nan 8.230 nan 0.000 0.571 40 A N 1.235 124.086 122.820 0.052 0.000 2.970 40 A HA 0.458 4.777 4.320 -0.001 0.000 0.197 40 A C 1.779 179.393 177.584 0.051 0.000 1.411 40 A CA 0.782 52.884 52.037 0.109 0.000 1.518 40 A CB -0.989 18.177 19.000 0.277 0.000 1.658 40 A HN 0.233 nan 8.150 nan 0.000 0.539 41 T N 0.950 115.538 114.554 0.055 0.000 2.788 41 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 41 T C 1.852 176.545 174.700 -0.013 0.000 1.044 41 T CA 2.011 64.115 62.100 0.007 0.000 1.139 41 T CB -0.337 68.530 68.868 -0.002 0.000 0.867 41 T HN 0.338 nan 8.240 nan 0.000 0.454 42 S N 1.427 117.113 115.700 -0.024 0.000 2.555 42 S HA -0.011 4.459 4.470 -0.001 0.000 0.230 42 S C 1.975 176.527 174.600 -0.079 0.000 0.978 42 S CA 0.827 58.990 58.200 -0.062 0.000 0.934 42 S CB -0.220 62.930 63.200 -0.084 0.000 0.766 42 S HN 0.708 nan 8.310 nan 0.000 0.533 43 S N -0.211 115.450 115.700 -0.065 0.000 2.593 43 S HA 0.545 5.015 4.470 -0.001 0.000 0.236 43 S C 0.799 175.298 174.600 -0.167 0.000 0.991 43 S CA 0.007 58.150 58.200 -0.095 0.000 0.963 43 S CB 0.597 63.773 63.200 -0.040 0.000 0.865 43 S HN 0.328 nan 8.310 nan 0.000 0.488 44 A N 1.375 124.141 122.820 -0.089 0.000 2.571 44 A HA 0.604 4.923 4.320 -0.001 0.000 0.274 44 A C 0.945 178.612 177.584 0.138 0.000 1.196 44 A CA 0.035 52.094 52.037 0.036 0.000 0.957 44 A CB -0.074 18.972 19.000 0.077 0.000 1.150 44 A HN 0.599 nan 8.150 nan 0.000 0.539 45 S N -0.868 114.824 115.700 -0.013 0.000 2.652 45 S HA 0.340 4.809 4.470 -0.001 0.000 0.267 45 S C 0.844 175.369 174.600 -0.124 0.000 1.201 45 S CA 0.399 58.594 58.200 -0.007 0.000 0.996 45 S CB 0.927 64.086 63.200 -0.068 0.000 1.054 45 S HN 0.136 nan 8.310 nan 0.000 0.561 46 S N 0.113 115.777 115.700 -0.060 0.000 2.593 46 S HA 0.200 4.669 4.470 -0.001 0.000 0.217 46 S C -0.132 174.305 174.600 -0.271 0.000 0.966 46 S CA -0.110 58.037 58.200 -0.088 0.000 0.914 46 S CB -0.702 62.576 63.200 0.130 0.000 0.776 46 S HN 0.757 nan 8.310 nan 0.000 0.523 47 K N 0.518 120.704 120.400 -0.357 0.000 3.167 47 K HA -0.122 4.197 4.320 -0.001 0.000 0.272 47 K C -0.996 175.182 176.600 -0.703 0.000 1.137 47 K CA 0.417 56.325 56.287 -0.632 0.000 0.800 47 K CB -1.861 30.069 32.500 -0.951 0.000 1.253 47 K HN 0.340 nan 8.250 nan 0.000 0.497 48 L N 0.927 121.899 121.223 -0.418 0.000 2.362 48 L HA 0.529 4.868 4.340 -0.001 0.000 0.275 48 L C 0.138 176.934 176.870 -0.123 0.000 0.998 48 L CA -1.030 53.626 54.840 -0.307 0.000 0.820 48 L CB 1.538 43.313 42.059 -0.473 0.000 1.270 48 L HN 0.056 nan 8.230 nan 0.000 0.415 49 I N 3.111 123.660 120.570 -0.036 0.000 2.287 49 I HA 0.235 4.404 4.170 -0.001 0.000 0.290 49 I C -0.087 176.120 176.117 0.150 0.000 1.069 49 I CA -0.258 61.086 61.300 0.073 0.000 1.237 49 I CB 0.010 38.031 38.000 0.034 0.000 1.418 49 I HN 0.652 nan 8.210 nan 0.000 0.481 50 H N 1.828 120.886 119.070 -0.020 0.000 2.797 50 H HA 0.652 5.208 4.556 -0.001 0.000 0.372 50 H C 0.773 176.121 175.328 0.033 0.000 1.168 50 H CA -1.083 54.966 56.048 0.002 0.000 1.163 50 H CB 1.725 31.445 29.762 -0.070 0.000 1.778 50 H HN 0.388 nan 8.280 nan 0.000 0.551 51 G N 0.163 108.952 108.800 -0.018 0.000 2.426 51 G HA2 0.323 4.283 3.960 -0.001 0.000 0.214 51 G HA3 0.323 4.283 3.960 -0.001 0.000 0.214 51 G C 0.734 175.463 174.900 -0.286 0.000 1.156 51 G CA -0.048 44.901 45.100 -0.252 0.000 0.802 51 G HN 1.400 nan 8.290 nan 0.000 0.534 52 G N -0.576 108.065 108.800 -0.266 0.000 2.867 52 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.182 52 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.182 52 G C 0.459 175.155 174.900 -0.340 0.000 1.029 52 G CA 0.095 44.777 45.100 -0.698 0.000 1.093 52 G HN 0.465 nan 8.290 nan 0.000 0.585 53 L N 1.617 122.817 121.223 -0.039 0.000 2.012 53 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 53 L C 2.963 179.763 176.870 -0.118 0.000 1.073 53 L CA 3.122 57.935 54.840 -0.045 0.000 0.748 53 L CB -0.328 41.511 42.059 -0.366 0.000 0.891 53 L HN 0.722 nan 8.230 nan 0.000 0.431 54 R N -2.173 118.217 120.500 -0.184 0.000 2.241 54 R HA -0.189 4.150 4.340 -0.001 0.000 0.224 54 R C 1.649 178.020 176.300 0.118 0.000 1.101 54 R CA 1.459 57.520 56.100 -0.065 0.000 0.995 54 R CB -0.899 29.399 30.300 -0.003 0.000 0.870 54 R HN 0.349 nan 8.270 nan 0.000 0.463 55 Y N 1.226 121.575 120.300 0.082 0.000 2.516 55 Y HA 0.096 4.645 4.550 -0.001 0.000 0.291 55 Y C 1.963 177.873 175.900 0.017 0.000 1.131 55 Y CA -0.366 57.785 58.100 0.085 0.000 1.281 55 Y CB -0.428 38.053 38.460 0.036 0.000 1.013 55 Y HN -0.008 nan 8.280 nan 0.000 0.554 56 L N -0.428 120.877 121.223 0.137 0.000 2.093 56 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 56 L C 2.376 179.153 176.870 -0.156 0.000 1.085 56 L CA 1.319 56.219 54.840 0.101 0.000 0.755 56 L CB -0.443 41.709 42.059 0.155 0.000 0.904 56 L HN 0.072 nan 8.230 nan 0.000 0.435 57 E N -0.117 119.935 120.200 -0.247 0.000 2.147 57 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 57 E C 1.534 177.635 176.600 -0.831 0.000 1.005 57 E CA 1.358 57.451 56.400 -0.512 0.000 0.810 57 E CB 0.056 29.450 29.700 -0.509 0.000 0.736 57 E HN 0.487 nan 8.360 nan 0.000 0.460 58 H N -1.615 117.216 119.070 -0.398 0.000 2.505 58 H HA 0.083 4.639 4.556 -0.001 0.000 0.286 58 H C -0.380 174.748 175.328 -0.333 0.000 1.072 58 H CA 0.325 56.161 56.048 -0.353 0.000 1.141 58 H CB -0.044 29.631 29.762 -0.145 0.000 1.550 58 H HN 0.231 nan 8.280 nan 0.000 0.547 59 Y N 0.170 120.373 120.300 -0.161 0.000 3.589 59 Y HA -0.220 4.329 4.550 -0.001 0.000 0.218 59 Y C 0.658 176.054 175.900 -0.839 0.000 1.234 59 Y CA 0.162 57.898 58.100 -0.606 0.000 1.576 59 Y CB -1.962 36.220 38.460 -0.463 0.000 1.487 59 Y HN 0.245 nan 8.280 nan 0.000 0.616 60 E N 0.406 120.395 120.200 -0.352 0.000 2.368 60 E HA 0.114 4.464 4.350 -0.001 0.000 0.283 60 E C 0.721 177.296 176.600 -0.042 0.000 1.476 60 E CA -0.098 56.192 56.400 -0.184 0.000 1.786 60 E CB -0.326 29.338 29.700 -0.059 0.000 1.518 60 E HN 0.445 nan 8.360 nan 0.000 0.456 61 F N 0.198 120.189 119.950 0.068 0.000 2.126 61 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 61 F C 2.431 178.237 175.800 0.010 0.000 1.096 61 F CA 0.666 58.691 58.000 0.042 0.000 1.255 61 F CB -0.756 38.276 39.000 0.053 0.000 0.997 61 F HN 0.203 nan 8.300 nan 0.000 0.479 62 R N 0.585 121.166 120.500 0.135 0.000 2.133 62 R HA -0.245 4.095 4.340 -0.001 0.000 0.245 62 R C 2.225 178.544 176.300 0.032 0.000 1.137 62 R CA 2.163 58.292 56.100 0.048 0.000 0.947 62 R CB -0.898 29.381 30.300 -0.036 0.000 0.865 62 R HN 0.354 nan 8.270 nan 0.000 0.437 63 L N 0.304 121.537 121.223 0.017 0.000 2.034 63 L HA -0.093 4.246 4.340 -0.001 0.000 0.203 63 L C 2.290 179.197 176.870 0.062 0.000 1.074 63 L CA 1.436 56.290 54.840 0.023 0.000 0.748 63 L CB -0.581 41.473 42.059 -0.009 0.000 0.905 63 L HN -0.033 nan 8.230 nan 0.000 0.439 64 V N -0.148 119.825 119.914 0.099 0.000 2.469 64 V HA -0.265 3.854 4.120 -0.001 0.000 0.251 64 V C 2.794 178.860 176.094 -0.046 0.000 1.064 64 V CA 1.825 64.144 62.300 0.033 0.000 1.066 64 V CB -1.310 30.563 31.823 0.082 0.000 0.667 64 V HN 0.740 nan 8.190 nan 0.000 0.461 65 S N -0.239 115.470 115.700 0.015 0.000 2.406 65 S HA -0.182 4.287 4.470 -0.001 0.000 0.224 65 S C 2.001 176.589 174.600 -0.020 0.000 1.030 65 S CA 1.244 59.431 58.200 -0.022 0.000 0.958 65 S CB -0.254 62.956 63.200 0.017 0.000 0.811 65 S HN 0.691 nan 8.310 nan 0.000 0.489 66 E N 1.287 121.496 120.200 0.015 0.000 2.085 66 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 66 E C 2.071 178.670 176.600 -0.001 0.000 0.994 66 E CA 1.264 57.680 56.400 0.026 0.000 0.801 66 E CB -0.493 29.251 29.700 0.074 0.000 0.743 66 E HN 0.710 nan 8.360 nan 0.000 0.453 67 A N 0.520 123.331 122.820 -0.015 0.000 1.898 67 A HA -0.084 4.235 4.320 -0.001 0.000 0.214 67 A C 2.040 179.579 177.584 -0.075 0.000 1.183 67 A CA 0.692 52.710 52.037 -0.032 0.000 0.622 67 A CB -0.482 18.494 19.000 -0.041 0.000 0.824 67 A HN 0.276 nan 8.150 nan 0.000 0.444 68 L N 0.058 121.196 121.223 -0.141 0.000 1.978 68 L HA -0.242 4.097 4.340 -0.001 0.000 0.218 68 L C 2.994 179.807 176.870 -0.096 0.000 1.075 68 L CA 2.226 56.957 54.840 -0.183 0.000 0.767 68 L CB -1.328 40.556 42.059 -0.292 0.000 0.890 68 L HN 0.422 nan 8.230 nan 0.000 0.434 69 A N -1.503 121.274 122.820 -0.072 0.000 1.978 69 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 69 A C 2.166 179.727 177.584 -0.037 0.000 1.170 69 A CA 1.529 53.539 52.037 -0.045 0.000 0.636 69 A CB -0.408 18.572 19.000 -0.033 0.000 0.810 69 A HN 0.422 nan 8.150 nan 0.000 0.448 70 E N 0.027 120.203 120.200 -0.040 0.000 2.208 70 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 70 E C 2.163 178.749 176.600 -0.023 0.000 0.988 70 E CA 0.549 56.922 56.400 -0.045 0.000 0.828 70 E CB -0.311 29.357 29.700 -0.054 0.000 0.763 70 E HN 0.665 nan 8.360 nan 0.000 0.478 71 R N 0.653 121.148 120.500 -0.007 0.000 2.094 71 R HA -0.157 4.183 4.340 -0.001 0.000 0.239 71 R C 2.215 178.531 176.300 0.027 0.000 1.137 71 R CA 1.644 57.757 56.100 0.021 0.000 0.943 71 R CB -0.333 29.990 30.300 0.037 0.000 0.850 71 R HN 0.269 nan 8.270 nan 0.000 0.433 72 E N 0.365 120.577 120.200 0.020 0.000 2.204 72 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 72 E C 2.107 178.718 176.600 0.019 0.000 0.989 72 E CA 1.103 57.519 56.400 0.027 0.000 0.824 72 E CB -0.000 29.715 29.700 0.024 0.000 0.756 72 E HN 0.145 nan 8.360 nan 0.000 0.477 73 V N 1.237 121.149 119.914 -0.003 0.000 2.295 73 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 73 V C 2.207 178.302 176.094 0.001 0.000 1.049 73 V CA 1.339 63.630 62.300 -0.015 0.000 1.024 73 V CB -0.313 31.477 31.823 -0.054 0.000 0.648 73 V HN 0.187 nan 8.190 nan 0.000 0.447 74 L N -0.902 120.326 121.223 0.007 0.000 2.109 74 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 74 L C 2.143 179.050 176.870 0.062 0.000 1.086 74 L CA 1.536 56.399 54.840 0.037 0.000 0.760 74 L CB -0.734 41.354 42.059 0.049 0.000 0.910 74 L HN 0.221 nan 8.230 nan 0.000 0.437 75 L N -1.122 120.139 121.223 0.063 0.000 2.349 75 L HA -0.180 4.159 4.340 -0.001 0.000 0.220 75 L C 1.241 178.165 176.870 0.090 0.000 1.130 75 L CA 0.940 55.832 54.840 0.087 0.000 0.791 75 L CB -0.214 41.899 42.059 0.090 0.000 0.918 75 L HN 0.243 nan 8.230 nan 0.000 0.444 79 P HA -0.137 nan 4.420 nan 0.000 0.233 79 P C 1.193 178.634 177.300 0.234 0.000 1.167 79 P CA 1.316 64.535 63.100 0.199 0.000 0.770 79 P CB -0.227 31.564 31.700 0.153 0.000 0.837 80 H N 1.682 120.786 119.070 0.057 0.000 2.321 80 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 80 H C 1.842 177.252 175.328 0.136 0.000 1.087 80 H CA 1.433 57.509 56.048 0.047 0.000 1.319 80 H CB -1.472 28.281 29.762 -0.015 0.000 1.379 80 H HN 0.275 nan 8.280 nan 0.000 0.501 81 I N -1.858 118.546 120.570 -0.276 0.000 3.956 81 I HA 0.601 4.770 4.170 -0.001 0.000 0.333 81 I C 0.819 177.051 176.117 0.193 0.000 1.302 81 I CA -0.252 61.007 61.300 -0.068 0.000 1.122 81 I CB 0.421 38.240 38.000 -0.301 0.000 1.013 81 I HN 0.267 nan 8.210 nan 0.000 0.405 82 A N 1.780 124.721 122.820 0.201 0.000 2.401 82 A HA 0.858 5.177 4.320 -0.001 0.000 0.310 82 A C -0.904 176.890 177.584 0.351 0.000 1.075 82 A CA -0.453 51.702 52.037 0.197 0.000 0.746 82 A CB 1.280 20.327 19.000 0.078 0.000 1.277 82 A HN 0.412 nan 8.150 nan 0.000 0.425 83 F N -0.757 119.323 119.950 0.217 0.000 2.713 83 F HA 0.798 5.325 4.527 -0.001 0.000 0.311 83 F C -3.298 172.610 175.800 0.180 0.000 1.141 83 F CA -2.482 55.617 58.000 0.164 0.000 0.939 83 F CB 0.408 39.485 39.000 0.127 0.000 1.325 83 F HN 0.350 nan 8.300 nan 0.000 0.453 87 F N 1.320 121.035 119.950 -0.392 0.000 2.493 87 F HA 0.542 5.068 4.527 -0.001 0.000 0.329 87 F C 0.506 176.098 175.800 -0.346 0.000 1.126 87 F CA -0.654 57.106 58.000 -0.399 0.000 0.937 87 F CB 1.778 40.386 39.000 -0.654 0.000 1.146 87 F HN 0.059 nan 8.300 nan 0.000 0.442 88 R N 3.006 123.392 120.500 -0.189 0.000 2.294 88 R HA 0.536 4.875 4.340 -0.001 0.000 0.319 88 R C -1.285 175.111 176.300 0.160 0.000 0.984 88 R CA -1.050 55.005 56.100 -0.074 0.000 0.861 88 R CB 1.681 31.788 30.300 -0.321 0.000 1.104 88 R HN 0.439 nan 8.270 nan 0.000 0.451 89 L N 5.889 127.308 121.223 0.328 0.000 2.287 89 L HA 0.386 4.726 4.340 -0.001 0.000 0.280 89 L C -2.448 174.704 176.870 0.470 0.000 1.055 89 L CA -2.358 52.717 54.840 0.391 0.000 0.863 89 L CB 0.752 43.065 42.059 0.422 0.000 1.245 89 L HN 0.405 nan 8.230 nan 0.000 0.432 90 P HA 0.050 nan 4.420 nan 0.000 0.265 90 P C -1.246 176.298 177.300 0.406 0.000 1.193 90 P CA 0.172 63.490 63.100 0.364 0.000 0.765 90 P CB 0.282 32.099 31.700 0.195 0.000 0.823 91 H N 3.259 122.520 119.070 0.317 0.000 2.580 91 H HA 0.398 4.953 4.556 -0.001 0.000 0.322 91 H C -0.203 175.243 175.328 0.196 0.000 1.082 91 H CA -0.243 55.990 56.048 0.308 0.000 1.383 91 H CB 0.603 30.567 29.762 0.336 0.000 1.450 91 H HN 0.221 nan 8.280 nan 0.000 0.505 92 R N 6.402 126.672 120.500 -0.384 0.000 2.576 92 R HA 0.146 4.486 4.340 -0.001 0.000 0.283 92 R C -2.280 173.789 176.300 -0.385 0.000 1.493 92 R CA -1.681 54.270 56.100 -0.249 0.000 1.170 92 R CB 1.567 31.844 30.300 -0.038 0.000 1.189 92 R HN 0.609 nan 8.270 nan 0.000 0.542 93 P HA -0.204 nan 4.420 nan 0.000 0.221 93 P C 0.934 178.220 177.300 -0.023 0.000 1.150 93 P CA 1.238 64.221 63.100 -0.196 0.000 0.800 93 P CB 0.015 31.764 31.700 0.082 0.000 0.787 94 H N -0.489 118.524 119.070 -0.095 0.000 2.567 94 H HA 0.074 4.629 4.556 -0.001 0.000 0.276 94 H C 1.303 176.597 175.328 -0.057 0.000 1.016 94 H CA 0.656 56.672 56.048 -0.054 0.000 1.186 94 H CB -0.739 28.995 29.762 -0.047 0.000 1.351 94 H HN 0.190 nan 8.280 nan 0.000 0.605 95 L N -0.658 120.297 121.223 -0.447 0.000 2.586 95 L HA 0.334 4.673 4.340 -0.001 0.000 0.204 95 L C 0.595 177.323 176.870 -0.237 0.000 1.053 95 L CA 0.061 54.652 54.840 -0.415 0.000 0.856 95 L CB 0.531 42.322 42.059 -0.447 0.000 1.192 95 L HN -0.069 nan 8.230 nan 0.000 0.484 96 R N 0.478 120.850 120.500 -0.213 0.000 2.564 96 R HA 0.351 4.691 4.340 -0.001 0.000 0.284 96 R C -2.720 173.482 176.300 -0.163 0.000 1.031 96 R CA -1.635 54.344 56.100 -0.202 0.000 0.904 96 R CB 2.287 32.462 30.300 -0.209 0.000 1.199 96 R HN -0.177 nan 8.270 nan 0.000 0.443 97 P HA 0.096 nan 4.420 nan 0.000 0.279 97 P C 0.155 177.389 177.300 -0.110 0.000 1.239 97 P CA -0.087 62.937 63.100 -0.125 0.000 0.789 97 P CB 1.443 33.001 31.700 -0.237 0.000 0.933 98 A N 5.175 128.156 122.820 0.268 0.000 1.903 98 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 98 A C 1.986 179.617 177.584 0.078 0.000 1.191 98 A CA 1.978 54.157 52.037 0.236 0.000 0.638 98 A CB -2.042 17.037 19.000 0.132 0.000 0.823 98 A HN 0.849 nan 8.150 nan 0.000 0.451 99 W N -0.744 120.612 121.300 0.093 0.000 2.341 99 W HA -0.219 4.440 4.660 -0.001 0.000 0.283 99 W C 1.832 178.358 176.519 0.011 0.000 1.215 99 W CA 1.552 58.927 57.345 0.049 0.000 1.211 99 W CB -0.808 28.676 29.460 0.040 0.000 1.131 99 W HN 0.399 nan 8.180 nan 0.000 0.552 100 M N 0.808 119.901 119.600 -0.845 0.000 2.134 100 M HA -0.155 4.324 4.480 -0.001 0.000 0.262 100 M C 2.177 178.233 176.300 -0.407 0.000 1.076 100 M CA 1.438 56.233 55.300 -0.842 0.000 1.143 100 M CB -0.476 31.494 32.600 -1.051 0.000 1.346 100 M HN -0.206 nan 8.290 nan 0.000 0.421 101 I N 0.774 121.093 120.570 -0.417 0.000 2.113 101 I HA -0.360 3.809 4.170 -0.001 0.000 0.242 101 I C 2.443 178.344 176.117 -0.359 0.000 1.064 101 I CA 1.702 62.710 61.300 -0.487 0.000 1.320 101 I CB -1.729 35.744 38.000 -0.878 0.000 1.028 101 I HN 0.420 nan 8.210 nan 0.000 0.406 102 R N 0.420 120.785 120.500 -0.225 0.000 2.091 102 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 102 R C 2.337 178.666 176.300 0.048 0.000 1.136 102 R CA 1.384 57.477 56.100 -0.011 0.000 0.959 102 R CB -0.555 29.819 30.300 0.124 0.000 0.856 102 R HN 0.407 nan 8.270 nan 0.000 0.437 103 I N -0.159 120.426 120.570 0.024 0.000 2.315 103 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 103 I C 2.522 178.679 176.117 0.068 0.000 1.117 103 I CA 1.328 62.660 61.300 0.055 0.000 1.404 103 I CB -0.520 37.518 38.000 0.062 0.000 1.071 103 I HN 0.266 nan 8.210 nan 0.000 0.419 104 G N 0.865 109.649 108.800 -0.027 0.000 2.418 104 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 104 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 104 G C 1.513 176.419 174.900 0.010 0.000 1.158 104 G CA 0.400 45.484 45.100 -0.028 0.000 0.771 104 G HN 0.124 nan 8.290 nan 0.000 0.545 105 L N -0.120 121.077 121.223 -0.045 0.000 2.042 105 L HA 0.055 4.395 4.340 -0.001 0.000 0.210 105 L C 2.460 179.397 176.870 0.112 0.000 1.076 105 L CA 1.096 55.919 54.840 -0.027 0.000 0.749 105 L CB -1.393 40.643 42.059 -0.037 0.000 0.893 105 L HN 0.313 nan 8.230 nan 0.000 0.432 106 F N -0.041 119.941 119.950 0.054 0.000 2.091 106 F HA -0.327 4.199 4.527 -0.001 0.000 0.299 106 F C 2.538 178.441 175.800 0.171 0.000 1.103 106 F CA 1.760 59.852 58.000 0.153 0.000 1.228 106 F CB -0.061 39.034 39.000 0.159 0.000 0.984 106 F HN 0.033 nan 8.300 nan 0.000 0.477 107 M N -1.493 118.371 119.600 0.439 0.000 2.159 107 M HA -0.234 4.245 4.480 -0.001 0.000 0.263 107 M C 2.055 178.401 176.300 0.075 0.000 1.063 107 M CA 1.635 57.092 55.300 0.263 0.000 1.110 107 M CB -0.836 31.857 32.600 0.154 0.000 1.374 107 M HN 0.230 nan 8.290 nan 0.000 0.411 108 Y N 1.534 121.794 120.300 -0.068 0.000 2.224 108 Y HA -0.266 4.284 4.550 -0.001 0.000 0.289 108 Y C 1.986 177.766 175.900 -0.199 0.000 1.146 108 Y CA 1.750 59.764 58.100 -0.143 0.000 1.182 108 Y CB -0.117 38.209 38.460 -0.224 0.000 0.983 108 Y HN 0.253 nan 8.280 nan 0.000 0.524 109 D N -1.814 118.479 120.400 -0.178 0.000 2.224 109 D HA -0.128 4.511 4.640 -0.001 0.000 0.205 109 D C 1.391 177.270 176.300 -0.701 0.000 0.965 109 D CA 1.535 55.227 54.000 -0.512 0.000 0.852 109 D CB -0.165 40.168 40.800 -0.778 0.000 0.947 109 D HN 0.562 nan 8.370 nan 0.000 0.494 110 H N -1.252 117.701 119.070 -0.196 0.000 3.170 110 H HA 0.185 4.740 4.556 -0.001 0.000 0.264 110 H C 1.512 176.772 175.328 -0.114 0.000 1.113 110 H CA -0.207 55.729 56.048 -0.187 0.000 1.194 110 H CB 0.648 30.227 29.762 -0.305 0.000 1.553 110 H HN 0.011 nan 8.280 nan 0.000 0.538 111 L N 0.841 122.038 121.223 -0.044 0.000 2.201 111 L HA 0.026 4.365 4.340 -0.001 0.000 0.212 111 L C 2.307 179.139 176.870 -0.063 0.000 1.105 111 L CA 1.647 56.454 54.840 -0.056 0.000 0.775 111 L CB -0.221 41.786 42.059 -0.086 0.000 0.913 111 L HN 0.333 nan 8.230 nan 0.000 0.440 112 G N -1.549 107.196 108.800 -0.092 0.000 2.848 112 G HA2 0.034 3.993 3.960 -0.001 0.000 0.213 112 G HA3 0.034 3.993 3.960 -0.001 0.000 0.213 112 G C -0.094 174.779 174.900 -0.045 0.000 1.101 112 G CA 0.147 45.203 45.100 -0.073 0.000 0.778 112 G HN 0.375 nan 8.290 nan 0.000 0.536 113 K N 0.966 121.342 120.400 -0.041 0.000 5.705 113 K HA -0.229 4.090 4.320 -0.001 0.000 0.638 113 K C -0.771 175.818 176.600 -0.018 0.000 1.874 113 K CA 0.639 56.915 56.287 -0.018 0.000 1.442 113 K CB -0.792 31.712 32.500 0.007 0.000 1.832 113 K HN 0.483 nan 8.250 nan 0.000 0.290 114 R N 3.028 123.516 120.500 -0.020 0.000 2.480 114 R HA 0.271 4.610 4.340 -0.001 0.000 0.306 114 R C -0.371 175.933 176.300 0.007 0.000 0.958 114 R CA -0.395 55.700 56.100 -0.008 0.000 0.861 114 R CB 1.829 32.122 30.300 -0.012 0.000 1.171 114 R HN 0.614 nan 8.270 nan 0.000 0.445 115 T N 0.725 115.288 114.554 0.015 0.000 3.144 115 T HA 0.162 4.511 4.350 -0.001 0.000 0.249 115 T C 0.126 174.843 174.700 0.028 0.000 1.089 115 T CA 0.885 62.997 62.100 0.021 0.000 0.989 115 T CB 0.121 69.001 68.868 0.020 0.000 0.992 115 T HN 0.732 nan 8.240 nan 0.000 0.540 116 S N -0.646 115.074 115.700 0.034 0.000 3.364 116 S HA 0.362 4.831 4.470 -0.001 0.000 0.257 116 S C 0.024 174.657 174.600 0.054 0.000 1.098 116 S CA -0.489 57.738 58.200 0.044 0.000 0.888 116 S CB 0.286 63.516 63.200 0.050 0.000 0.925 116 S HN 0.265 nan 8.310 nan 0.000 0.442 117 L N 4.013 125.272 121.223 0.059 0.000 2.455 117 L HA 0.208 4.547 4.340 -0.001 0.000 0.272 117 L C -1.799 175.113 176.870 0.070 0.000 1.174 117 L CA -1.491 53.396 54.840 0.077 0.000 0.869 117 L CB 0.280 42.395 42.059 0.092 0.000 1.130 117 L HN 0.141 nan 8.230 nan 0.000 0.474 118 P HA 0.119 nan 4.420 nan 0.000 0.286 118 P C -0.328 177.011 177.300 0.065 0.000 1.394 118 P CA -0.159 62.982 63.100 0.068 0.000 0.763 118 P CB 0.241 31.985 31.700 0.073 0.000 1.632 119 G N -2.423 106.421 108.800 0.074 0.000 2.601 119 G HA2 0.466 4.425 3.960 -0.001 0.000 0.291 119 G HA3 0.466 4.425 3.960 -0.001 0.000 0.291 119 G C -1.059 173.899 174.900 0.098 0.000 1.456 119 G CA -0.155 44.985 45.100 0.068 0.000 0.804 119 G HN 0.487 nan 8.290 nan 0.000 0.499 120 S N -0.732 115.036 115.700 0.113 0.000 2.579 120 S HA 0.688 5.158 4.470 -0.001 0.000 0.275 120 S C 0.442 175.126 174.600 0.140 0.000 1.345 120 S CA 0.758 59.055 58.200 0.162 0.000 1.031 120 S CB 1.548 64.853 63.200 0.175 0.000 0.892 120 S HN 1.886 nan 8.310 nan 0.000 0.529 121 T N 0.319 114.965 114.554 0.152 0.000 2.812 121 T HA 0.713 5.063 4.350 -0.001 0.000 0.294 121 T C 0.144 174.899 174.700 0.092 0.000 1.159 121 T CA -0.271 61.891 62.100 0.103 0.000 1.008 121 T CB 1.057 69.951 68.868 0.044 0.000 1.289 121 T HN 1.100 nan 8.240 nan 0.000 0.514 122 G N 0.188 108.979 108.800 -0.016 0.000 2.488 122 G HA2 0.729 4.688 3.960 -0.001 0.000 0.318 122 G HA3 0.729 4.688 3.960 -0.001 0.000 0.318 122 G C -1.405 173.344 174.900 -0.252 0.000 1.188 122 G CA -0.844 44.134 45.100 -0.203 0.000 0.944 122 G HN 0.849 nan 8.290 nan 0.000 0.495 123 L N -0.456 120.523 121.223 -0.407 0.000 2.505 123 L HA 0.528 4.867 4.340 -0.001 0.000 0.259 123 L C -0.196 176.327 176.870 -0.579 0.000 0.952 123 L CA -0.761 53.785 54.840 -0.489 0.000 0.840 123 L CB 2.880 44.558 42.059 -0.634 0.000 1.358 123 L HN 0.552 nan 8.230 nan 0.000 0.409 124 R N 1.331 121.522 120.500 -0.515 0.000 2.732 124 R HA 0.714 5.053 4.340 -0.001 0.000 0.278 124 R C -1.776 174.225 176.300 -0.498 0.000 0.976 124 R CA -0.490 55.368 56.100 -0.403 0.000 0.963 124 R CB 1.540 31.721 30.300 -0.198 0.000 1.150 124 R HN 0.409 nan 8.270 nan 0.000 0.478 125 F N 1.166 121.096 119.950 -0.032 0.000 2.477 125 F HA 0.427 4.954 4.527 -0.001 0.000 0.335 125 F C 0.883 176.671 175.800 -0.021 0.000 1.130 125 F CA -0.614 57.374 58.000 -0.020 0.000 0.948 125 F CB 2.200 41.190 39.000 -0.018 0.000 1.154 125 F HN 0.642 nan 8.300 nan 0.000 0.439 126 G N 0.888 109.779 108.800 0.151 0.000 2.531 126 G HA2 0.456 4.415 3.960 -0.001 0.000 0.281 126 G HA3 0.456 4.415 3.960 -0.001 0.000 0.281 126 G C 0.814 175.756 174.900 0.071 0.000 1.382 126 G CA -0.174 44.975 45.100 0.081 0.000 1.045 126 G HN 0.751 nan 8.290 nan 0.000 0.533 127 A N -0.952 121.893 122.820 0.042 0.000 2.067 127 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 127 A C 1.814 179.414 177.584 0.028 0.000 1.158 127 A CA 1.292 53.346 52.037 0.027 0.000 0.661 127 A CB -0.396 18.615 19.000 0.019 0.000 0.801 127 A HN 0.643 nan 8.150 nan 0.000 0.452 128 N N -0.027 118.695 118.700 0.038 0.000 2.322 128 N HA 0.047 4.786 4.740 -0.001 0.000 0.194 128 N C 0.576 176.115 175.510 0.049 0.000 1.126 128 N CA 0.268 53.341 53.050 0.039 0.000 0.845 128 N CB 0.268 38.777 38.487 0.037 0.000 0.976 128 N HN 0.547 nan 8.380 nan 0.000 0.475 129 S N -0.325 115.411 115.700 0.059 0.000 2.652 129 S HA 0.124 4.594 4.470 -0.001 0.000 0.267 129 S C 1.557 176.159 174.600 0.004 0.000 1.201 129 S CA -0.642 57.602 58.200 0.073 0.000 0.996 129 S CB 0.896 64.175 63.200 0.132 0.000 1.054 129 S HN 0.000 nan 8.310 nan 0.000 0.561 130 V N -1.684 118.201 119.914 -0.048 0.000 3.235 130 V HA 0.355 4.475 4.120 -0.001 0.000 0.259 130 V C 0.646 176.638 176.094 -0.169 0.000 1.133 130 V CA 0.195 62.470 62.300 -0.041 0.000 1.128 130 V CB -1.196 30.624 31.823 -0.006 0.000 0.757 130 V HN 0.620 nan 8.190 nan 0.000 0.469 131 L N 1.034 122.033 121.223 -0.373 0.000 2.418 131 L HA 0.376 4.715 4.340 -0.001 0.000 0.265 131 L C 0.625 177.320 176.870 -0.292 0.000 1.143 131 L CA -0.427 54.093 54.840 -0.534 0.000 0.809 131 L CB 0.679 42.279 42.059 -0.764 0.000 1.124 131 L HN 0.085 nan 8.230 nan 0.000 0.456 132 K N 2.410 122.649 120.400 -0.268 0.000 2.414 132 K HA 0.045 4.364 4.320 -0.001 0.000 0.272 132 K C -1.429 175.094 176.600 -0.128 0.000 0.993 132 K CA -1.185 55.005 56.287 -0.161 0.000 0.964 132 K CB 0.672 33.078 32.500 -0.157 0.000 0.925 132 K HN 0.344 nan 8.250 nan 0.000 0.487 133 P HA -0.222 nan 4.420 nan 0.000 0.220 133 P C 0.721 178.001 177.300 -0.032 0.000 1.148 133 P CA 1.319 64.394 63.100 -0.041 0.000 0.803 133 P CB 0.095 31.781 31.700 -0.024 0.000 0.782 134 E N 0.406 120.574 120.200 -0.053 0.000 2.265 134 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 134 E C 0.676 177.259 176.600 -0.027 0.000 0.996 134 E CA 0.517 56.891 56.400 -0.043 0.000 0.832 134 E CB -0.771 28.889 29.700 -0.067 0.000 0.756 134 E HN 0.312 nan 8.360 nan 0.000 0.491 135 I N 2.200 122.738 120.570 -0.052 0.000 2.337 135 I HA 0.057 4.226 4.170 -0.001 0.000 0.291 135 I C 1.116 177.287 176.117 0.089 0.000 1.046 135 I CA -0.028 61.262 61.300 -0.017 0.000 1.324 135 I CB 0.967 38.886 38.000 -0.134 0.000 1.409 135 I HN -0.066 nan 8.210 nan 0.000 0.494 136 K N 5.767 126.274 120.400 0.179 0.000 2.477 136 K HA 0.345 4.665 4.320 -0.001 0.000 0.208 136 K C 0.430 177.159 176.600 0.214 0.000 1.117 136 K CA -0.388 56.021 56.287 0.203 0.000 1.039 136 K CB 1.280 33.838 32.500 0.097 0.000 0.937 136 K HN 0.446 nan 8.250 nan 0.000 0.570 137 R N 0.207 120.875 120.500 0.280 0.000 2.774 137 R HA 0.537 4.877 4.340 -0.001 0.000 0.272 137 R C -1.171 175.237 176.300 0.180 0.000 1.000 137 R CA -0.542 55.599 56.100 0.067 0.000 0.906 137 R CB 2.254 32.523 30.300 -0.052 0.000 1.227 137 R HN 0.177 nan 8.270 nan 0.000 0.468 138 G N 1.032 109.710 108.800 -0.204 0.000 2.561 138 G HA2 0.550 4.509 3.960 -0.001 0.000 0.310 138 G HA3 0.550 4.509 3.960 -0.001 0.000 0.310 138 G C -1.856 172.584 174.900 -0.767 0.000 1.292 138 G CA -0.625 44.410 45.100 -0.107 0.000 0.811 138 G HN 0.332 nan 8.290 nan 0.000 0.482 139 F N -0.617 119.421 119.950 0.147 0.000 2.626 139 F HA 0.754 5.280 4.527 -0.001 0.000 0.311 139 F C -0.166 175.718 175.800 0.139 0.000 1.088 139 F CA -0.767 57.302 58.000 0.115 0.000 0.949 139 F CB 2.895 41.976 39.000 0.136 0.000 1.322 139 F HN 0.525 nan 8.300 nan 0.000 0.461 140 E N 1.102 121.478 120.200 0.294 0.000 2.292 140 E HA 0.540 4.890 4.350 -0.001 0.000 0.272 140 E C -1.864 174.883 176.600 0.246 0.000 0.881 140 E CA -0.646 55.859 56.400 0.175 0.000 0.754 140 E CB 2.475 32.208 29.700 0.055 0.000 1.201 140 E HN 0.576 nan 8.360 nan 0.000 0.425 141 Y N -0.402 119.974 120.300 0.127 0.000 2.728 141 Y HA 0.694 5.244 4.550 -0.001 0.000 0.330 141 Y C -1.093 174.907 175.900 0.166 0.000 1.234 141 Y CA -1.098 57.057 58.100 0.091 0.000 1.070 141 Y CB 1.023 39.469 38.460 -0.024 0.000 1.300 141 Y HN 0.226 nan 8.280 nan 0.000 0.467 142 S N 1.197 117.060 115.700 0.272 0.000 2.549 142 S HA 0.690 5.160 4.470 -0.001 0.000 0.297 142 S C -1.413 173.373 174.600 0.311 0.000 1.115 142 S CA -0.408 57.943 58.200 0.251 0.000 1.059 142 S CB 1.225 64.564 63.200 0.230 0.000 1.046 142 S HN 0.670 nan 8.310 nan 0.000 0.506 143 D N -0.704 119.864 120.400 0.280 0.000 2.792 143 D HA 0.437 5.076 4.640 -0.001 0.000 0.335 143 D C -1.283 175.180 176.300 0.272 0.000 1.353 143 D CA -0.218 53.902 54.000 0.201 0.000 0.839 143 D CB 1.403 42.120 40.800 -0.138 0.000 1.396 143 D HN 0.573 nan 8.370 nan 0.000 0.479 144 C N -0.007 119.402 119.300 0.180 0.000 2.913 144 C HA 0.735 5.195 4.460 -0.001 0.000 0.322 144 C C -1.010 174.026 174.990 0.076 0.000 1.292 144 C CA -0.756 58.334 59.018 0.120 0.000 1.649 144 C CB 1.452 29.232 27.740 0.067 0.000 2.139 144 C HN 0.659 nan 8.230 nan 0.000 0.475 145 W N 0.397 121.491 121.300 -0.343 0.000 2.702 145 W HA 0.721 5.380 4.660 -0.001 0.000 0.331 145 W C -1.155 175.130 176.519 -0.390 0.000 1.049 145 W CA -0.480 56.624 57.345 -0.402 0.000 1.230 145 W CB 1.213 30.269 29.460 -0.673 0.000 1.408 145 W HN 0.581 nan 8.180 nan 0.000 0.492 146 V N 5.822 125.331 119.914 -0.674 0.000 2.876 146 V HA 0.310 4.430 4.120 -0.001 0.000 0.312 146 V C -1.079 174.437 176.094 -0.963 0.000 1.085 146 V CA -0.704 61.301 62.300 -0.492 0.000 0.945 146 V CB 2.095 33.750 31.823 -0.279 0.000 1.017 146 V HN 0.469 nan 8.190 nan 0.000 0.428 147 D N 3.799 123.969 120.400 -0.384 0.000 2.470 147 D HA 0.092 4.731 4.640 -0.001 0.000 0.226 147 D C 0.917 177.100 176.300 -0.195 0.000 1.196 147 D CA 0.112 53.990 54.000 -0.203 0.000 0.979 147 D CB 0.981 41.860 40.800 0.131 0.000 1.059 147 D HN 0.755 nan 8.370 nan 0.000 0.515 148 D N 2.986 123.218 120.400 -0.281 0.000 2.103 148 D HA -0.265 4.374 4.640 -0.001 0.000 0.190 148 D C 1.719 177.934 176.300 -0.141 0.000 0.997 148 D CA 1.626 55.493 54.000 -0.221 0.000 0.833 148 D CB -0.616 40.046 40.800 -0.231 0.000 0.961 148 D HN 0.310 nan 8.370 nan 0.000 0.447 149 A N 0.253 123.020 122.820 -0.087 0.000 1.972 149 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 149 A C 2.336 179.904 177.584 -0.027 0.000 1.169 149 A CA 1.498 53.508 52.037 -0.044 0.000 0.635 149 A CB -0.502 18.505 19.000 0.011 0.000 0.810 149 A HN 0.160 nan 8.150 nan 0.000 0.446 150 R N -1.315 119.174 120.500 -0.017 0.000 2.092 150 R HA -0.060 4.279 4.340 -0.001 0.000 0.231 150 R C 2.041 178.327 176.300 -0.023 0.000 1.119 150 R CA 1.270 57.372 56.100 0.004 0.000 0.970 150 R CB -0.576 29.721 30.300 -0.006 0.000 0.864 150 R HN 0.502 nan 8.270 nan 0.000 0.440 151 L N 0.942 122.114 121.223 -0.085 0.000 2.131 151 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 151 L C 2.047 178.823 176.870 -0.157 0.000 1.092 151 L CA 1.420 56.190 54.840 -0.116 0.000 0.759 151 L CB -0.171 41.788 42.059 -0.167 0.000 0.903 151 L HN -0.130 nan 8.230 nan 0.000 0.435 152 V N -0.586 119.231 119.914 -0.161 0.000 2.307 152 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 152 V C 2.435 178.463 176.094 -0.110 0.000 1.045 152 V CA 1.592 63.781 62.300 -0.185 0.000 1.024 152 V CB -0.764 30.962 31.823 -0.162 0.000 0.651 152 V HN 0.480 nan 8.190 nan 0.000 0.449 153 L N 0.990 122.195 121.223 -0.030 0.000 2.042 153 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 153 L C 2.485 179.426 176.870 0.118 0.000 1.076 153 L CA 2.677 57.558 54.840 0.068 0.000 0.749 153 L CB -1.115 41.033 42.059 0.148 0.000 0.893 153 L HN 0.358 nan 8.230 nan 0.000 0.432 154 A N -0.121 122.759 122.820 0.101 0.000 2.019 154 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 154 A C 1.964 179.609 177.584 0.101 0.000 1.164 154 A CA 1.617 53.739 52.037 0.142 0.000 0.644 154 A CB -0.517 18.577 19.000 0.157 0.000 0.805 154 A HN 0.618 nan 8.150 nan 0.000 0.449 155 N N -0.043 118.669 118.700 0.019 0.000 2.290 155 N HA -0.006 4.733 4.740 -0.001 0.000 0.179 155 N C 2.000 177.510 175.510 0.001 0.000 1.016 155 N CA 1.094 54.144 53.050 -0.000 0.000 0.871 155 N CB -0.273 38.157 38.487 -0.095 0.000 0.987 155 N HN 0.438 nan 8.380 nan 0.000 0.431 156 A N 1.756 124.545 122.820 -0.050 0.000 1.908 156 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 156 A C 1.477 179.154 177.584 0.156 0.000 1.181 156 A CA 1.100 53.066 52.037 -0.118 0.000 0.627 156 A CB -0.439 18.291 19.000 -0.450 0.000 0.818 156 A HN 0.342 nan 8.150 nan 0.000 0.445 160 V N 1.514 121.514 119.914 0.143 0.000 2.343 160 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 160 V C 2.487 178.632 176.094 0.084 0.000 1.051 160 V CA 2.904 65.286 62.300 0.138 0.000 1.036 160 V CB -0.742 31.210 31.823 0.214 0.000 0.654 160 V HN 0.563 nan 8.190 nan 0.000 0.451 161 R N 0.987 121.540 120.500 0.088 0.000 2.103 161 R HA -0.193 4.146 4.340 -0.001 0.000 0.242 161 R C 1.486 177.799 176.300 0.023 0.000 1.142 161 R CA 1.662 57.794 56.100 0.054 0.000 0.960 161 R CB -0.091 30.249 30.300 0.066 0.000 0.858 161 R HN 0.468 nan 8.270 nan 0.000 0.439 162 K N -0.690 119.724 120.400 0.023 0.000 2.570 162 K HA 0.177 4.497 4.320 -0.001 0.000 0.210 162 K C 0.324 176.915 176.600 -0.016 0.000 1.048 162 K CA 0.504 56.778 56.287 -0.021 0.000 1.167 162 K CB 1.067 33.535 32.500 -0.053 0.000 0.892 162 K HN 0.466 nan 8.250 nan 0.000 0.480 163 G N 1.060 109.862 108.800 0.003 0.000 2.136 163 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.242 163 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.242 163 G C 0.394 175.294 174.900 -0.000 0.000 0.989 163 G CA -0.164 44.937 45.100 0.001 0.000 0.682 163 G HN 0.546 nan 8.290 nan 0.000 0.522 164 G N -0.870 107.935 108.800 0.008 0.000 2.528 164 G HA2 0.599 4.559 3.960 -0.001 0.000 0.289 164 G HA3 0.599 4.559 3.960 -0.001 0.000 0.289 164 G C -0.358 174.541 174.900 -0.001 0.000 1.192 164 G CA 0.222 45.315 45.100 -0.013 0.000 0.921 164 G HN 0.429 nan 8.290 nan 0.000 0.512 165 E N -1.249 118.924 120.200 -0.045 0.000 2.227 165 E HA 0.592 4.941 4.350 -0.001 0.000 0.268 165 E C -1.206 175.348 176.600 -0.076 0.000 0.907 165 E CA -0.614 55.767 56.400 -0.032 0.000 0.786 165 E CB 2.102 31.758 29.700 -0.075 0.000 1.191 165 E HN 0.201 nan 8.360 nan 0.000 0.411 166 V N 5.148 125.058 119.914 -0.007 0.000 2.482 166 V HA 0.385 4.505 4.120 -0.001 0.000 0.295 166 V C -0.685 175.358 176.094 -0.085 0.000 1.026 166 V CA -0.646 61.567 62.300 -0.145 0.000 0.856 166 V CB 1.281 32.940 31.823 -0.274 0.000 1.001 166 V HN 0.630 nan 8.190 nan 0.000 0.424 167 L N 4.996 126.103 121.223 -0.194 0.000 2.317 167 L HA 0.760 5.099 4.340 -0.001 0.000 0.281 167 L C 0.546 177.305 176.870 -0.185 0.000 1.024 167 L CA -0.238 54.522 54.840 -0.133 0.000 0.810 167 L CB 2.215 44.157 42.059 -0.196 0.000 1.240 167 L HN 0.791 nan 8.230 nan 0.000 0.427 168 T N -1.448 113.048 114.554 -0.098 0.000 2.905 168 T HA 0.482 4.831 4.350 -0.001 0.000 0.283 168 T C 0.487 175.166 174.700 -0.035 0.000 1.031 168 T CA -0.797 61.237 62.100 -0.111 0.000 1.002 168 T CB 1.519 70.320 68.868 -0.111 0.000 1.200 168 T HN 0.655 nan 8.240 nan 0.000 0.560 169 R N -0.602 119.877 120.500 -0.036 0.000 3.741 169 R HA -0.124 4.215 4.340 -0.001 0.000 0.292 169 R C -0.714 175.592 176.300 0.009 0.000 1.176 169 R CA 1.007 57.105 56.100 -0.003 0.000 0.794 169 R CB -2.784 27.539 30.300 0.037 0.000 1.213 169 R HN 0.808 nan 8.270 nan 0.000 0.494 170 T N 0.368 114.903 114.554 -0.031 0.000 2.892 170 T HA 0.308 4.657 4.350 -0.001 0.000 0.311 170 T C -0.303 174.368 174.700 -0.047 0.000 1.033 170 T CA -0.682 61.411 62.100 -0.011 0.000 0.991 170 T CB 1.744 70.572 68.868 -0.068 0.000 0.981 170 T HN 0.173 nan 8.240 nan 0.000 0.457 171 R N 2.496 122.989 120.500 -0.012 0.000 2.229 171 R HA 0.680 5.019 4.340 -0.001 0.000 0.328 171 R C -0.043 176.269 176.300 0.020 0.000 1.009 171 R CA -0.546 55.527 56.100 -0.046 0.000 0.864 171 R CB 0.630 30.906 30.300 -0.040 0.000 1.085 171 R HN 0.723 nan 8.270 nan 0.000 0.453 172 A N 3.003 125.811 122.820 -0.019 0.000 2.450 172 A HA 0.185 4.505 4.320 -0.001 0.000 0.255 172 A C 0.871 178.589 177.584 0.225 0.000 1.096 172 A CA -0.043 52.043 52.037 0.082 0.000 0.778 172 A CB 0.529 19.482 19.000 -0.078 0.000 1.031 172 A HN 0.954 nan 8.150 nan 0.000 0.494 173 T N -1.155 113.541 114.554 0.237 0.000 2.987 173 T HA 0.359 4.708 4.350 -0.001 0.000 0.248 173 T C 0.661 175.442 174.700 0.136 0.000 0.997 173 T CA 0.658 62.869 62.100 0.184 0.000 1.013 173 T CB -0.326 68.603 68.868 0.103 0.000 1.077 173 T HN 1.480 nan 8.240 nan 0.000 0.483 174 S N 0.090 115.878 115.700 0.146 0.000 2.625 174 S HA 0.829 5.298 4.470 -0.001 0.000 0.271 174 S C -1.760 172.923 174.600 0.139 0.000 1.161 174 S CA -0.628 57.594 58.200 0.037 0.000 0.820 174 S CB 1.624 64.792 63.200 -0.054 0.000 1.137 174 S HN 1.035 nan 8.310 nan 0.000 0.470 175 A N 1.017 123.871 122.820 0.057 0.000 2.459 175 A HA 0.890 5.209 4.320 -0.001 0.000 0.296 175 A C -0.786 176.958 177.584 0.267 0.000 1.039 175 A CA -1.027 51.124 52.037 0.190 0.000 0.698 175 A CB 1.250 20.322 19.000 0.121 0.000 1.261 175 A HN 1.181 nan 8.150 nan 0.000 0.405 176 R N 1.482 122.209 120.500 0.379 0.000 2.651 176 R HA 0.705 5.045 4.340 -0.001 0.000 0.278 176 R C -0.922 175.440 176.300 0.104 0.000 1.010 176 R CA -0.889 55.349 56.100 0.230 0.000 0.896 176 R CB 1.723 32.063 30.300 0.066 0.000 1.211 176 R HN 0.595 nan 8.270 nan 0.000 0.456 177 R N 1.524 121.880 120.500 -0.240 0.000 2.389 177 R HA 0.164 4.503 4.340 -0.001 0.000 0.295 177 R C -0.613 175.555 176.300 -0.220 0.000 1.075 177 R CA 0.020 55.816 56.100 -0.506 0.000 1.005 177 R CB 0.861 30.771 30.300 -0.651 0.000 0.987 177 R HN 0.624 nan 8.270 nan 0.000 0.452 178 E N 2.534 122.628 120.200 -0.177 0.000 2.361 178 E HA 0.102 4.452 4.350 -0.001 0.000 0.270 178 E C -1.030 175.523 176.600 -0.078 0.000 0.911 178 E CA -0.485 55.860 56.400 -0.090 0.000 0.818 178 E CB 1.374 31.053 29.700 -0.035 0.000 1.332 178 E HN 0.643 nan 8.360 nan 0.000 0.402 179 N N 1.906 120.561 118.700 -0.075 0.000 2.758 179 N HA -0.270 4.469 4.740 -0.001 0.000 0.248 179 N C 0.674 176.145 175.510 -0.065 0.000 1.076 179 N CA 0.469 53.486 53.050 -0.055 0.000 0.696 179 N CB -0.794 37.675 38.487 -0.030 0.000 0.979 179 N HN 0.941 nan 8.380 nan 0.000 0.550 180 G N -1.682 107.055 108.800 -0.104 0.000 2.225 180 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.254 180 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.254 180 G C 0.035 174.858 174.900 -0.129 0.000 0.988 180 G CA 0.605 45.642 45.100 -0.105 0.000 0.625 180 G HN 0.364 nan 8.290 nan 0.000 0.527 181 L N -1.357 119.789 121.223 -0.128 0.000 2.301 181 L HA 0.739 5.079 4.340 -0.001 0.000 0.264 181 L C -0.033 176.748 176.870 -0.148 0.000 1.016 181 L CA -1.431 53.362 54.840 -0.079 0.000 0.821 181 L CB 1.307 43.381 42.059 0.025 0.000 1.346 181 L HN 0.150 nan 8.230 nan 0.000 0.429 182 W N 1.471 122.800 121.300 0.049 0.000 2.376 182 W HA 0.433 5.092 4.660 -0.001 0.000 0.322 182 W C -0.400 176.164 176.519 0.074 0.000 1.160 182 W CA -0.470 56.908 57.345 0.056 0.000 1.218 182 W CB 1.042 30.539 29.460 0.063 0.000 1.205 182 W HN 0.006 nan 8.180 nan 0.000 0.559 183 I N 4.431 125.196 120.570 0.325 0.000 2.330 183 I HA 0.244 4.413 4.170 -0.001 0.000 0.289 183 I C -0.356 175.927 176.117 0.276 0.000 1.001 183 I CA -1.197 60.246 61.300 0.239 0.000 1.193 183 I CB 0.556 38.641 38.000 0.141 0.000 1.345 183 I HN 0.015 nan 8.210 nan 0.000 0.461 184 V N 6.930 127.015 119.914 0.285 0.000 2.417 184 V HA 0.382 4.501 4.120 -0.001 0.000 0.291 184 V C 0.204 176.451 176.094 0.254 0.000 1.024 184 V CA -0.749 61.720 62.300 0.281 0.000 0.861 184 V CB 1.864 33.872 31.823 0.309 0.000 0.985 184 V HN 0.643 nan 8.190 nan 0.000 0.436 185 E N 2.999 123.310 120.200 0.185 0.000 2.191 185 E HA 0.822 5.171 4.350 -0.001 0.000 0.274 185 E C -0.371 176.335 176.600 0.177 0.000 0.948 185 E CA -0.550 55.920 56.400 0.117 0.000 0.802 185 E CB 2.438 32.175 29.700 0.061 0.000 1.137 185 E HN 0.813 nan 8.360 nan 0.000 0.397 186 A N 2.450 125.374 122.820 0.173 0.000 2.564 186 A HA 0.693 5.013 4.320 -0.001 0.000 0.288 186 A C -1.351 176.380 177.584 0.244 0.000 1.164 186 A CA -0.655 51.518 52.037 0.228 0.000 0.712 186 A CB 2.061 21.261 19.000 0.332 0.000 1.303 186 A HN 0.667 nan 8.150 nan 0.000 0.418 187 E N 0.375 120.718 120.200 0.238 0.000 2.321 187 E HA 0.318 4.667 4.350 -0.001 0.000 0.281 187 E C -1.856 174.867 176.600 0.205 0.000 0.910 187 E CA -0.581 55.934 56.400 0.192 0.000 0.770 187 E CB 1.608 31.367 29.700 0.097 0.000 1.225 187 E HN 0.647 nan 8.360 nan 0.000 0.417 188 D N 5.334 125.871 120.400 0.228 0.000 2.312 188 D HA 0.094 4.734 4.640 -0.001 0.000 0.252 188 D C 1.389 177.748 176.300 0.099 0.000 1.150 188 D CA -0.330 53.792 54.000 0.204 0.000 0.870 188 D CB 0.961 41.920 40.800 0.265 0.000 1.153 188 D HN 0.691 nan 8.370 nan 0.000 0.457 189 I N 1.114 121.726 120.570 0.069 0.000 2.614 189 I HA -0.130 4.039 4.170 -0.001 0.000 0.258 189 I C 0.739 176.879 176.117 0.039 0.000 1.189 189 I CA 0.665 61.990 61.300 0.042 0.000 1.462 189 I CB 0.051 38.064 38.000 0.021 0.000 1.092 189 I HN 0.148 nan 8.210 nan 0.000 0.442 190 D N 1.900 122.327 120.400 0.045 0.000 2.232 190 D HA -0.107 4.532 4.640 -0.001 0.000 0.220 190 D C 2.315 178.632 176.300 0.030 0.000 0.982 190 D CA 2.276 56.298 54.000 0.037 0.000 0.892 190 D CB -0.447 40.377 40.800 0.040 0.000 1.040 190 D HN 0.486 nan 8.370 nan 0.000 0.463 191 T N -2.366 112.206 114.554 0.031 0.000 3.113 191 T HA 0.280 4.629 4.350 -0.001 0.000 0.256 191 T C 1.683 176.383 174.700 0.000 0.000 1.131 191 T CA 0.834 62.942 62.100 0.013 0.000 1.074 191 T CB 0.195 69.068 68.868 0.008 0.000 0.944 191 T HN 0.295 nan 8.240 nan 0.000 0.516 192 G N 1.753 110.560 108.800 0.011 0.000 2.166 192 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.260 192 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.260 192 G C 0.040 174.920 174.900 -0.034 0.000 0.986 192 G CA 0.421 45.521 45.100 -0.001 0.000 0.683 192 G HN 0.821 nan 8.290 nan 0.000 0.527 193 K N 0.519 120.884 120.400 -0.058 0.000 2.451 193 K HA 0.280 4.600 4.320 -0.001 0.000 0.280 193 K C 0.458 176.905 176.600 -0.254 0.000 1.020 193 K CA 0.112 56.291 56.287 -0.179 0.000 1.008 193 K CB 0.208 32.559 32.500 -0.248 0.000 0.917 193 K HN 0.185 nan 8.250 nan 0.000 0.478 194 K N 2.664 122.888 120.400 -0.295 0.000 2.144 194 K HA 0.265 4.584 4.320 -0.001 0.000 0.270 194 K C -1.167 175.128 176.600 -0.508 0.000 1.005 194 K CA -0.113 56.016 56.287 -0.263 0.000 0.932 194 K CB 0.702 33.106 32.500 -0.160 0.000 1.021 194 K HN 0.357 nan 8.250 nan 0.000 0.462 195 Y N -0.809 119.333 120.300 -0.262 0.000 2.581 195 Y HA 0.548 5.097 4.550 -0.001 0.000 0.345 195 Y C -0.362 175.125 175.900 -0.689 0.000 1.036 195 Y CA -0.878 56.879 58.100 -0.573 0.000 1.042 195 Y CB 2.766 40.710 38.460 -0.859 0.000 1.289 195 Y HN 0.442 nan 8.280 nan 0.000 0.471 196 S N 1.493 116.716 115.700 -0.795 0.000 2.592 196 S HA 0.589 5.058 4.470 -0.001 0.000 0.275 196 S C -1.979 172.246 174.600 -0.626 0.000 1.169 196 S CA -0.652 57.244 58.200 -0.506 0.000 0.958 196 S CB 0.645 63.700 63.200 -0.241 0.000 1.095 196 S HN 0.589 nan 8.310 nan 0.000 0.471 197 W N 2.086 123.440 121.300 0.089 0.000 2.992 197 W HA 0.529 5.188 4.660 -0.001 0.000 0.342 197 W C -0.592 175.981 176.519 0.090 0.000 1.176 197 W CA -0.688 56.704 57.345 0.077 0.000 1.118 197 W CB 1.440 30.932 29.460 0.055 0.000 1.457 197 W HN 0.505 nan 8.180 nan 0.000 0.573 198 Q N 0.725 120.733 119.800 0.346 0.000 2.365 198 Q HA 0.767 5.106 4.340 -0.001 0.000 0.269 198 Q C -0.805 175.348 176.000 0.255 0.000 1.061 198 Q CA -0.647 55.311 55.803 0.259 0.000 0.816 198 Q CB 2.856 31.701 28.738 0.178 0.000 1.325 198 Q HN 0.445 nan 8.270 nan 0.000 0.446 199 A N 1.147 124.134 122.820 0.279 0.000 2.566 199 A HA 0.533 4.852 4.320 -0.001 0.000 0.292 199 A C -0.283 177.488 177.584 0.311 0.000 1.112 199 A CA -0.664 51.530 52.037 0.261 0.000 0.707 199 A CB 1.407 20.530 19.000 0.206 0.000 1.302 199 A HN 0.800 nan 8.150 nan 0.000 0.409 200 R N 0.016 120.687 120.500 0.286 0.000 2.246 200 R HA 0.276 4.615 4.340 -0.001 0.000 0.199 200 R C 0.824 177.315 176.300 0.319 0.000 0.984 200 R CA 0.927 57.176 56.100 0.249 0.000 1.015 200 R CB 0.486 30.897 30.300 0.185 0.000 0.930 200 R HN 0.794 nan 8.270 nan 0.000 0.475 201 G N 0.151 109.197 108.800 0.410 0.000 2.690 201 G HA2 0.548 4.508 3.960 -0.001 0.000 0.293 201 G HA3 0.548 4.508 3.960 -0.001 0.000 0.293 201 G C -2.161 172.786 174.900 0.079 0.000 1.399 201 G CA -0.525 44.777 45.100 0.336 0.000 0.890 201 G HN -0.036 nan 8.290 nan 0.000 0.485 202 L N 1.111 122.236 121.223 -0.164 0.000 2.438 202 L HA 0.712 5.051 4.340 -0.001 0.000 0.270 202 L C -0.896 175.810 176.870 -0.273 0.000 0.972 202 L CA -0.672 53.894 54.840 -0.457 0.000 0.831 202 L CB 2.321 43.676 42.059 -1.174 0.000 1.273 202 L HN 0.373 nan 8.230 nan 0.000 0.405 203 V N 4.090 123.868 119.914 -0.226 0.000 2.370 203 V HA 0.423 4.542 4.120 -0.001 0.000 0.279 203 V C -0.109 175.847 176.094 -0.228 0.000 1.029 203 V CA -0.652 61.547 62.300 -0.169 0.000 0.870 203 V CB 1.349 33.099 31.823 -0.123 0.000 0.984 203 V HN 0.762 nan 8.190 nan 0.000 0.451 204 N N 4.304 122.888 118.700 -0.194 0.000 2.645 204 N HA 0.365 5.104 4.740 -0.001 0.000 0.233 204 N C 0.141 175.544 175.510 -0.179 0.000 1.058 204 N CA -0.227 52.693 53.050 -0.217 0.000 0.942 204 N CB 1.246 39.626 38.487 -0.179 0.000 1.210 204 N HN 0.783 nan 8.380 nan 0.000 0.512 205 A N 2.497 125.199 122.820 -0.197 0.000 2.965 205 A HA 0.152 4.472 4.320 -0.001 0.000 0.304 205 A C 1.107 178.608 177.584 -0.138 0.000 1.214 205 A CA -0.409 51.533 52.037 -0.158 0.000 0.977 205 A CB -0.728 18.186 19.000 -0.144 0.000 1.127 205 A HN 0.559 nan 8.150 nan 0.000 0.572 206 T N -3.587 110.896 114.554 -0.119 0.000 3.219 206 T HA 0.429 4.779 4.350 -0.001 0.000 0.249 206 T C 1.348 176.137 174.700 0.150 0.000 1.099 206 T CA 0.920 63.002 62.100 -0.029 0.000 0.988 206 T CB -0.380 68.452 68.868 -0.059 0.000 0.999 206 T HN 1.735 nan 8.240 nan 0.000 0.550 207 G N 2.486 111.316 108.800 0.051 0.000 2.561 207 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.289 207 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.289 207 G C -1.498 173.435 174.900 0.055 0.000 1.169 207 G CA 0.009 45.147 45.100 0.062 0.000 0.980 207 G HN 0.377 nan 8.290 nan 0.000 0.550 208 P HA -0.059 nan 4.420 nan 0.000 0.219 208 P C 1.209 178.363 177.300 -0.243 0.000 1.144 208 P CA 2.106 65.052 63.100 -0.257 0.000 0.806 208 P CB -0.085 31.219 31.700 -0.659 0.000 0.771 209 W N -1.578 119.741 121.300 0.030 0.000 3.353 209 W HA 0.198 4.857 4.660 -0.001 0.000 0.304 209 W C 1.709 178.291 176.519 0.104 0.000 1.273 209 W CA -0.197 57.190 57.345 0.070 0.000 1.773 209 W CB -0.354 29.139 29.460 0.055 0.000 1.095 209 W HN -0.165 nan 8.180 nan 0.000 0.676 210 V N 1.758 121.806 119.914 0.225 0.000 2.392 210 V HA -0.317 3.802 4.120 -0.001 0.000 0.249 210 V C 2.346 178.675 176.094 0.392 0.000 1.059 210 V CA 2.575 64.990 62.300 0.190 0.000 1.051 210 V CB -0.144 31.615 31.823 -0.107 0.000 0.658 210 V HN 0.127 nan 8.190 nan 0.000 0.455 211 K N -0.909 119.706 120.400 0.359 0.000 2.137 211 K HA -0.117 4.202 4.320 -0.001 0.000 0.202 211 K C 2.292 179.112 176.600 0.367 0.000 1.052 211 K CA 1.187 57.718 56.287 0.407 0.000 0.961 211 K CB -0.384 32.279 32.500 0.271 0.000 0.741 211 K HN 0.521 nan 8.250 nan 0.000 0.452 212 Q N 0.032 120.016 119.800 0.306 0.000 2.135 212 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 212 Q C 1.779 177.966 176.000 0.311 0.000 0.981 212 Q CA 1.448 57.424 55.803 0.288 0.000 0.856 212 Q CB -0.158 28.768 28.738 0.313 0.000 0.902 212 Q HN 0.403 nan 8.270 nan 0.000 0.425 213 F N 0.247 120.322 119.950 0.208 0.000 2.134 213 F HA -0.187 4.339 4.527 -0.001 0.000 0.299 213 F C 1.720 177.560 175.800 0.067 0.000 1.097 213 F CA 1.123 59.178 58.000 0.092 0.000 1.264 213 F CB -0.515 38.479 39.000 -0.010 0.000 1.001 213 F HN 0.029 nan 8.300 nan 0.000 0.479 214 F N 1.030 121.042 119.950 0.103 0.000 2.065 214 F HA -0.308 4.218 4.527 -0.001 0.000 0.298 214 F C 2.443 178.262 175.800 0.032 0.000 1.112 214 F CA 2.102 60.138 58.000 0.059 0.000 1.212 214 F CB -0.874 38.207 39.000 0.135 0.000 0.975 214 F HN -0.018 nan 8.300 nan 0.000 0.476 215 D N -0.148 120.411 120.400 0.265 0.000 2.078 215 D HA -0.141 4.498 4.640 -0.001 0.000 0.193 215 D C 1.787 178.170 176.300 0.137 0.000 0.990 215 D CA 1.716 55.815 54.000 0.165 0.000 0.827 215 D CB -0.492 40.385 40.800 0.128 0.000 0.975 215 D HN 0.281 nan 8.370 nan 0.000 0.451 216 D N -0.113 120.342 120.400 0.092 0.000 2.277 216 D HA 0.102 4.742 4.640 -0.001 0.000 0.209 216 D C 1.308 177.598 176.300 -0.017 0.000 0.970 216 D CA 0.452 54.507 54.000 0.092 0.000 0.874 216 D CB -0.045 40.812 40.800 0.096 0.000 0.982 216 D HN 0.086 nan 8.370 nan 0.000 0.504 220 L N 1.481 122.879 121.223 0.292 0.000 2.341 220 L HA 0.607 4.946 4.340 -0.001 0.000 0.267 220 L C -2.143 174.916 176.870 0.315 0.000 1.009 220 L CA -2.026 53.010 54.840 0.327 0.000 0.819 220 L CB 2.615 44.935 42.059 0.436 0.000 1.323 220 L HN -0.018 nan 8.230 nan 0.000 0.425 221 P HA 0.078 nan 4.420 nan 0.000 0.280 221 P C -0.645 176.488 177.300 -0.279 0.000 1.244 221 P CA -0.256 62.829 63.100 -0.025 0.000 0.784 221 P CB 1.402 33.063 31.700 -0.065 0.000 0.913 222 S N 3.581 119.003 115.700 -0.464 0.000 2.548 222 S HA 0.224 4.693 4.470 -0.001 0.000 0.277 222 S C -0.911 173.333 174.600 -0.594 0.000 1.315 222 S CA -1.320 56.321 58.200 -0.932 0.000 1.050 222 S CB -0.098 62.801 63.200 -0.502 0.000 0.918 222 S HN 0.332 nan 8.310 nan 0.000 0.497 223 P HA 0.022 nan 4.420 nan 0.000 0.223 223 P C -0.667 175.940 177.300 -1.155 0.000 1.151 223 P CA 1.049 63.716 63.100 -0.722 0.000 0.787 223 P CB 0.017 31.391 31.700 -0.544 0.000 0.788 224 Y N -1.130 118.783 120.300 -0.645 0.000 2.553 224 Y HA 0.579 5.128 4.550 -0.001 0.000 0.347 224 Y C 1.113 176.819 175.900 -0.324 0.000 1.019 224 Y CA -0.999 56.739 58.100 -0.602 0.000 1.032 224 Y CB 1.252 39.076 38.460 -1.060 0.000 1.284 224 Y HN -0.195 nan 8.280 nan 0.000 0.466 225 G N 0.891 109.670 108.800 -0.034 0.000 2.580 225 G HA2 0.500 4.459 3.960 -0.001 0.000 0.278 225 G HA3 0.500 4.459 3.960 -0.001 0.000 0.278 225 G C -1.531 173.436 174.900 0.112 0.000 1.212 225 G CA -0.209 44.908 45.100 0.030 0.000 0.939 225 G HN 0.442 nan 8.290 nan 0.000 0.513 226 I N -0.725 119.916 120.570 0.119 0.000 2.647 226 I HA 0.485 4.654 4.170 -0.001 0.000 0.295 226 I C -0.725 175.427 176.117 0.058 0.000 1.078 226 I CA -1.052 60.328 61.300 0.133 0.000 1.048 226 I CB 2.103 40.215 38.000 0.187 0.000 1.239 226 I HN 0.289 nan 8.210 nan 0.000 0.421 227 R N 7.294 127.815 120.500 0.035 0.000 2.387 227 R HA 0.560 4.899 4.340 -0.001 0.000 0.314 227 R C -1.342 174.963 176.300 0.007 0.000 0.958 227 R CA -0.782 55.324 56.100 0.011 0.000 0.846 227 R CB 1.327 31.622 30.300 -0.007 0.000 1.147 227 R HN 0.562 nan 8.270 nan 0.000 0.447 228 L N 4.519 125.751 121.223 0.016 0.000 2.265 228 L HA 0.442 4.782 4.340 -0.001 0.000 0.288 228 L C 0.014 176.898 176.870 0.022 0.000 1.058 228 L CA -0.460 54.387 54.840 0.013 0.000 0.809 228 L CB 0.794 42.897 42.059 0.072 0.000 1.179 228 L HN 0.290 nan 8.230 nan 0.000 0.429 229 I N 4.048 124.603 120.570 -0.025 0.000 2.448 229 I HA 0.230 4.399 4.170 -0.001 0.000 0.281 229 I C 0.105 176.178 176.117 -0.073 0.000 1.027 229 I CA -0.578 60.705 61.300 -0.029 0.000 1.111 229 I CB 1.610 39.588 38.000 -0.037 0.000 1.236 229 I HN 0.621 nan 8.210 nan 0.000 0.452 230 K N 4.202 124.554 120.400 -0.081 0.000 2.355 230 K HA 0.530 4.849 4.320 -0.001 0.000 0.270 230 K C 0.081 176.601 176.600 -0.134 0.000 1.003 230 K CA -0.022 56.172 56.287 -0.155 0.000 0.957 230 K CB 0.978 33.393 32.500 -0.142 0.000 0.939 230 K HN 0.832 nan 8.250 nan 0.000 0.482 231 G N 1.181 109.890 108.800 -0.151 0.000 2.706 231 G HA2 0.489 4.448 3.960 -0.001 0.000 0.297 231 G HA3 0.489 4.448 3.960 -0.001 0.000 0.297 231 G C -1.515 173.254 174.900 -0.219 0.000 1.403 231 G CA -0.600 44.389 45.100 -0.184 0.000 0.954 231 G HN 0.547 nan 8.290 nan 0.000 0.500 232 S N -0.464 115.037 115.700 -0.332 0.000 2.632 232 S HA 0.795 5.264 4.470 -0.001 0.000 0.289 232 S C -1.230 173.016 174.600 -0.590 0.000 1.115 232 S CA -0.590 57.393 58.200 -0.362 0.000 0.889 232 S CB 1.797 64.829 63.200 -0.281 0.000 1.116 232 S HN 0.696 nan 8.310 nan 0.000 0.486 233 H N 0.227 118.882 119.070 -0.692 0.000 2.895 233 H HA 0.677 5.233 4.556 -0.001 0.000 0.373 233 H C -0.549 174.431 175.328 -0.580 0.000 1.174 233 H CA -0.755 54.885 56.048 -0.680 0.000 1.144 233 H CB 1.242 30.306 29.762 -1.163 0.000 1.793 233 H HN 0.605 nan 8.280 nan 0.000 0.551 234 I N -0.760 119.669 120.570 -0.234 0.000 2.740 234 I HA 0.779 4.948 4.170 -0.001 0.000 0.303 234 I C -1.186 174.870 176.117 -0.103 0.000 1.044 234 I CA -1.188 59.998 61.300 -0.188 0.000 1.064 234 I CB 2.081 39.999 38.000 -0.136 0.000 1.249 234 I HN 0.197 nan 8.210 nan 0.000 0.433 235 V N 5.053 124.948 119.914 -0.033 0.000 2.604 235 V HA 0.682 4.801 4.120 -0.001 0.000 0.305 235 V C 0.041 176.181 176.094 0.076 0.000 1.043 235 V CA -0.540 61.805 62.300 0.075 0.000 0.888 235 V CB 1.778 33.727 31.823 0.211 0.000 0.995 235 V HN 0.736 nan 8.190 nan 0.000 0.429 236 V N 2.401 122.382 119.914 0.112 0.000 3.102 236 V HA 0.756 4.875 4.120 -0.001 0.000 0.312 236 V C -2.940 173.301 176.094 0.245 0.000 1.135 236 V CA -3.121 59.237 62.300 0.097 0.000 1.022 236 V CB 1.969 33.755 31.823 -0.061 0.000 1.056 236 V HN 0.635 nan 8.190 nan 0.000 0.436 237 P HA 0.105 nan 4.420 nan 0.000 0.266 237 P C -0.391 176.930 177.300 0.036 0.000 1.186 237 P CA 0.029 63.208 63.100 0.131 0.000 0.767 237 P CB 0.208 31.937 31.700 0.049 0.000 0.820 238 R N 2.153 122.636 120.500 -0.030 0.000 2.585 238 R HA 0.035 4.374 4.340 -0.001 0.000 0.275 238 R C 0.837 177.070 176.300 -0.112 0.000 1.018 238 R CA -0.308 55.755 56.100 -0.062 0.000 1.072 238 R CB -0.071 30.179 30.300 -0.083 0.000 0.953 238 R HN 0.337 nan 8.270 nan 0.000 0.419 239 V N -0.471 119.311 119.914 -0.220 0.000 2.871 239 V HA 0.036 4.155 4.120 -0.001 0.000 0.256 239 V C 0.209 176.262 176.094 -0.067 0.000 1.082 239 V CA 1.194 63.381 62.300 -0.189 0.000 1.105 239 V CB -1.611 30.052 31.823 -0.266 0.000 0.713 239 V HN 1.074 nan 8.190 nan 0.000 0.473 240 H N -4.219 114.873 119.070 0.035 0.000 2.932 240 H HA 0.534 5.089 4.556 -0.001 0.000 0.307 240 H C 0.107 175.475 175.328 0.067 0.000 1.391 240 H CA -0.041 56.048 56.048 0.067 0.000 1.130 240 H CB 0.807 30.637 29.762 0.113 0.000 1.836 240 H HN -0.249 nan 8.280 nan 0.000 0.522 241 T N 0.196 114.923 114.554 0.288 0.000 3.107 241 T HA 0.091 4.440 4.350 -0.001 0.000 0.249 241 T C 0.243 175.075 174.700 0.221 0.000 1.096 241 T CA 0.205 62.415 62.100 0.183 0.000 1.012 241 T CB -0.170 68.765 68.868 0.112 0.000 0.977 241 T HN 0.417 nan 8.240 nan 0.000 0.527 242 Q N 1.270 121.302 119.800 0.386 0.000 2.417 242 Q HA 0.187 4.526 4.340 -0.001 0.000 0.241 242 Q C 1.251 177.399 176.000 0.246 0.000 1.008 242 Q CA -0.119 55.842 55.803 0.262 0.000 0.901 242 Q CB 0.709 29.555 28.738 0.178 0.000 1.259 242 Q HN 0.358 nan 8.270 nan 0.000 0.489 243 K N 0.248 120.726 120.400 0.130 0.000 2.393 243 K HA 0.027 4.347 4.320 -0.001 0.000 0.193 243 K C -0.056 176.572 176.600 0.047 0.000 1.026 243 K CA 0.091 56.425 56.287 0.078 0.000 1.064 243 K CB 0.456 32.974 32.500 0.030 0.000 0.833 243 K HN 0.440 nan 8.250 nan 0.000 0.521 244 Q N 1.507 121.330 119.800 0.038 0.000 2.259 244 Q HA 0.437 4.777 4.340 -0.001 0.000 0.249 244 Q C -0.409 175.542 176.000 -0.082 0.000 0.914 244 Q CA -0.406 55.328 55.803 -0.115 0.000 0.904 244 Q CB 1.271 29.876 28.738 -0.222 0.000 1.213 244 Q HN 0.180 nan 8.270 nan 0.000 0.428 245 A N 2.499 125.122 122.820 -0.328 0.000 2.351 245 A HA 0.499 4.818 4.320 -0.001 0.000 0.257 245 A C -1.098 176.385 177.584 -0.169 0.000 1.087 245 A CA -0.325 51.578 52.037 -0.223 0.000 0.798 245 A CB 0.275 18.839 19.000 -0.726 0.000 1.033 245 A HN 0.649 nan 8.150 nan 0.000 0.488 246 Y N 0.016 120.452 120.300 0.228 0.000 2.429 246 Y HA 0.555 5.104 4.550 -0.001 0.000 0.342 246 Y C 0.175 176.286 175.900 0.351 0.000 1.004 246 Y CA -0.449 57.818 58.100 0.277 0.000 1.075 246 Y CB 1.893 40.567 38.460 0.357 0.000 1.214 246 Y HN 0.449 nan 8.280 nan 0.000 0.455 247 I N 5.190 126.007 120.570 0.412 0.000 2.382 247 I HA 0.376 4.545 4.170 -0.001 0.000 0.286 247 I C -1.072 175.093 176.117 0.080 0.000 1.002 247 I CA -0.608 60.843 61.300 0.252 0.000 1.135 247 I CB 1.120 39.296 38.000 0.293 0.000 1.288 247 I HN 0.362 nan 8.210 nan 0.000 0.448 248 L N 5.908 127.084 121.223 -0.078 0.000 2.325 248 L HA 0.454 4.794 4.340 -0.001 0.000 0.278 248 L C -0.063 176.742 176.870 -0.108 0.000 1.023 248 L CA -0.681 54.028 54.840 -0.219 0.000 0.811 248 L CB 1.570 43.346 42.059 -0.472 0.000 1.249 248 L HN 0.536 nan 8.230 nan 0.000 0.431 249 Q N 2.649 122.453 119.800 0.007 0.000 2.296 249 Q HA 0.267 4.606 4.340 -0.001 0.000 0.257 249 Q C -0.762 175.279 176.000 0.068 0.000 0.942 249 Q CA -0.125 55.692 55.803 0.023 0.000 0.939 249 Q CB 1.579 30.327 28.738 0.017 0.000 1.198 249 Q HN 0.524 nan 8.270 nan 0.000 0.429 250 N N 0.942 119.655 118.700 0.022 0.000 2.476 250 N HA 0.035 4.775 4.740 -0.001 0.000 0.275 250 N C 0.603 176.120 175.510 0.012 0.000 1.190 250 N CA -0.498 52.568 53.050 0.027 0.000 0.977 250 N CB 0.925 39.432 38.487 0.034 0.000 1.200 250 N HN 0.502 nan 8.380 nan 0.000 0.515 251 E N 0.499 120.709 120.200 0.017 0.000 2.267 251 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 251 E C 0.356 176.965 176.600 0.016 0.000 0.998 251 E CA 1.050 57.458 56.400 0.014 0.000 0.830 251 E CB -0.132 29.593 29.700 0.042 0.000 0.751 251 E HN 0.635 nan 8.360 nan 0.000 0.491 252 D N 0.007 120.438 120.400 0.053 0.000 2.328 252 D HA -0.019 4.620 4.640 -0.001 0.000 0.221 252 D C 0.242 176.560 176.300 0.030 0.000 1.072 252 D CA 0.009 54.043 54.000 0.056 0.000 0.850 252 D CB 0.050 40.914 40.800 0.107 0.000 0.922 252 D HN -0.024 nan 8.370 nan 0.000 0.516 253 K N -1.384 119.019 120.400 0.005 0.000 3.553 253 K HA -0.199 4.121 4.320 -0.001 0.000 0.303 253 K C 0.017 176.617 176.600 0.001 0.000 1.327 253 K CA 0.781 57.056 56.287 -0.019 0.000 0.983 253 K CB -1.366 31.113 32.500 -0.035 0.000 1.275 253 K HN 0.214 nan 8.250 nan 0.000 0.453 254 R N 0.766 121.286 120.500 0.033 0.000 2.404 254 R HA 0.478 4.817 4.340 -0.001 0.000 0.291 254 R C 0.141 176.441 176.300 -0.001 0.000 1.025 254 R CA -0.750 55.369 56.100 0.033 0.000 0.991 254 R CB 0.621 30.955 30.300 0.057 0.000 1.053 254 R HN 0.119 nan 8.270 nan 0.000 0.479 255 I N -0.719 119.806 120.570 -0.076 0.000 2.577 255 I HA 0.487 4.656 4.170 -0.001 0.000 0.305 255 I C -0.347 175.603 176.117 -0.278 0.000 0.986 255 I CA -0.845 60.345 61.300 -0.182 0.000 1.189 255 I CB 1.507 39.357 38.000 -0.250 0.000 1.355 255 I HN 0.074 nan 8.210 nan 0.000 0.476 256 V N 4.519 124.260 119.914 -0.287 0.000 2.656 256 V HA 0.483 4.602 4.120 -0.001 0.000 0.307 256 V C -0.616 175.312 176.094 -0.276 0.000 1.051 256 V CA -0.407 61.759 62.300 -0.222 0.000 0.893 256 V CB 1.634 33.435 31.823 -0.036 0.000 0.999 256 V HN 0.501 nan 8.190 nan 0.000 0.426 257 F N 2.844 122.876 119.950 0.136 0.000 2.397 257 F HA 0.651 5.178 4.527 -0.001 0.000 0.331 257 F C 0.208 176.122 175.800 0.189 0.000 1.090 257 F CA -0.854 57.265 58.000 0.199 0.000 1.065 257 F CB 1.654 40.789 39.000 0.225 0.000 1.184 257 F HN 0.120 nan 8.300 nan 0.000 0.499 258 V N 4.727 124.914 119.914 0.456 0.000 2.349 258 V HA 0.420 4.540 4.120 -0.001 0.000 0.284 258 V C -0.336 175.942 176.094 0.307 0.000 1.014 258 V CA -0.552 61.941 62.300 0.322 0.000 0.826 258 V CB 0.997 33.009 31.823 0.314 0.000 1.009 258 V HN 0.540 nan 8.190 nan 0.000 0.431 259 I N 6.756 127.460 120.570 0.224 0.000 2.418 259 I HA 0.437 4.606 4.170 -0.001 0.000 0.287 259 I C -2.517 173.699 176.117 0.166 0.000 1.008 259 I CA -2.184 59.222 61.300 0.176 0.000 1.104 259 I CB 2.731 40.858 38.000 0.212 0.000 1.264 259 I HN 0.389 nan 8.210 nan 0.000 0.438 260 P HA 0.023 nan 4.420 nan 0.000 0.268 260 P C -1.224 176.204 177.300 0.212 0.000 1.204 260 P CA 0.078 63.250 63.100 0.121 0.000 0.768 260 P CB 0.525 32.266 31.700 0.067 0.000 0.842 264 E N -0.737 119.344 120.200 -0.198 0.000 2.489 264 E HA 0.145 4.494 4.350 -0.001 0.000 0.208 264 E C -0.245 175.969 176.600 -0.643 0.000 0.814 264 E CA 0.089 56.196 56.400 -0.488 0.000 1.348 264 E CB 1.096 30.338 29.700 -0.762 0.000 1.334 264 E HN -0.114 nan 8.360 nan 0.000 0.672 265 F N 0.201 120.190 119.950 0.065 0.000 2.631 265 F HA 0.532 5.058 4.527 -0.001 0.000 0.350 265 F C 0.008 175.895 175.800 0.145 0.000 1.080 265 F CA -0.921 57.153 58.000 0.123 0.000 1.026 265 F CB 1.831 40.987 39.000 0.261 0.000 1.347 265 F HN -0.324 nan 8.300 nan 0.000 0.501 266 S N 0.794 116.700 115.700 0.344 0.000 2.532 266 S HA 0.620 5.089 4.470 -0.001 0.000 0.299 266 S C -0.775 173.941 174.600 0.193 0.000 1.105 266 S CA -0.528 57.784 58.200 0.186 0.000 1.018 266 S CB 1.133 64.320 63.200 -0.022 0.000 1.021 266 S HN 0.336 nan 8.310 nan 0.000 0.483 267 I N 3.467 124.137 120.570 0.168 0.000 2.365 267 I HA 0.402 4.572 4.170 -0.001 0.000 0.291 267 I C -0.569 175.602 176.117 0.090 0.000 1.004 267 I CA -0.283 61.060 61.300 0.071 0.000 1.311 267 I CB 0.819 38.801 38.000 -0.029 0.000 1.401 267 I HN 0.456 nan 8.210 nan 0.000 0.491 268 I N 5.323 125.919 120.570 0.043 0.000 2.406 268 I HA 0.736 4.905 4.170 -0.001 0.000 0.290 268 I C 0.293 176.429 176.117 0.033 0.000 0.999 268 I CA -0.207 61.129 61.300 0.059 0.000 1.124 268 I CB 1.812 39.800 38.000 -0.021 0.000 1.289 268 I HN 0.704 nan 8.210 nan 0.000 0.441 269 G N 2.745 111.585 108.800 0.066 0.000 2.547 269 G HA2 0.547 4.507 3.960 -0.001 0.000 0.291 269 G HA3 0.547 4.507 3.960 -0.001 0.000 0.291 269 G C -1.366 173.515 174.900 -0.032 0.000 1.471 269 G CA -0.249 44.733 45.100 -0.197 0.000 0.798 269 G HN 0.518 nan 8.290 nan 0.000 0.504 270 T N -1.699 112.774 114.554 -0.135 0.000 2.591 270 T HA 0.877 5.226 4.350 -0.001 0.000 0.274 270 T C -0.140 174.446 174.700 -0.190 0.000 0.945 270 T CA 0.633 62.502 62.100 -0.386 0.000 1.087 270 T CB 1.424 69.942 68.868 -0.583 0.000 1.416 270 T HN 1.569 nan 8.240 nan 0.000 0.514 271 T N -0.614 113.798 114.554 -0.236 0.000 2.838 271 T HA 0.692 5.041 4.350 -0.001 0.000 0.292 271 T C -1.828 172.749 174.700 -0.205 0.000 1.113 271 T CA -0.788 61.152 62.100 -0.267 0.000 1.008 271 T CB 1.805 70.490 68.868 -0.306 0.000 1.259 271 T HN 0.414 nan 8.240 nan 0.000 0.520 272 D N 1.087 121.360 120.400 -0.213 0.000 2.346 272 D HA 0.497 5.136 4.640 -0.001 0.000 0.255 272 D C -1.223 175.002 176.300 -0.126 0.000 1.276 272 D CA -0.120 53.800 54.000 -0.134 0.000 0.941 272 D CB 1.745 42.482 40.800 -0.104 0.000 1.199 272 D HN 0.429 nan 8.370 nan 0.000 0.537 273 V N 2.036 121.891 119.914 -0.098 0.000 2.483 273 V HA 0.201 4.320 4.120 -0.001 0.000 0.297 273 V C 0.320 176.405 176.094 -0.016 0.000 1.027 273 V CA -0.924 61.334 62.300 -0.071 0.000 0.855 273 V CB 2.206 33.986 31.823 -0.072 0.000 0.995 273 V HN 0.312 nan 8.190 nan 0.000 0.424 274 E N 3.255 123.446 120.200 -0.015 0.000 2.413 274 E HA 0.187 4.536 4.350 -0.001 0.000 0.263 274 E C -1.423 175.212 176.600 0.059 0.000 1.015 274 E CA 0.255 56.661 56.400 0.010 0.000 0.916 274 E CB 0.551 30.240 29.700 -0.017 0.000 0.947 274 E HN 0.579 nan 8.360 nan 0.000 0.440 275 Y N 3.136 123.393 120.300 -0.072 0.000 2.477 275 Y HA 0.455 5.004 4.550 -0.001 0.000 0.347 275 Y C -1.284 174.573 175.900 -0.071 0.000 0.981 275 Y CA -0.944 57.111 58.100 -0.075 0.000 1.033 275 Y CB 1.339 39.746 38.460 -0.088 0.000 1.245 275 Y HN 0.331 nan 8.280 nan 0.000 0.455 276 K N 4.014 124.007 120.400 -0.679 0.000 2.427 276 K HA 0.777 5.096 4.320 -0.001 0.000 0.252 276 K C -0.440 175.751 176.600 -0.682 0.000 0.931 276 K CA -0.239 55.771 56.287 -0.463 0.000 0.793 276 K CB 1.739 34.069 32.500 -0.283 0.000 1.211 276 K HN 1.028 nan 8.250 nan 0.000 0.426 277 G N 1.588 110.192 108.800 -0.327 0.000 2.298 277 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.309 277 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.309 277 G C -1.705 173.217 174.900 0.036 0.000 1.279 277 G CA -0.827 44.159 45.100 -0.189 0.000 1.042 277 G HN 0.501 nan 8.290 nan 0.000 0.480 278 D N 1.067 121.531 120.400 0.107 0.000 2.339 278 D HA 0.464 5.103 4.640 -0.001 0.000 0.256 278 D C -0.979 175.438 176.300 0.195 0.000 1.214 278 D CA -1.745 52.347 54.000 0.152 0.000 0.877 278 D CB 1.525 42.419 40.800 0.157 0.000 1.111 278 D HN 0.008 nan 8.370 nan 0.000 0.478 279 P HA -0.057 nan 4.420 nan 0.000 0.228 279 P C 0.985 178.275 177.300 -0.017 0.000 1.151 279 P CA 0.571 63.540 63.100 -0.219 0.000 0.770 279 P CB 0.366 31.589 31.700 -0.796 0.000 0.786 280 K N -0.485 120.034 120.400 0.199 0.000 2.296 280 K HA 0.149 4.469 4.320 -0.001 0.000 0.200 280 K C 1.596 178.265 176.600 0.114 0.000 1.048 280 K CA 0.697 57.115 56.287 0.218 0.000 0.966 280 K CB -0.310 32.353 32.500 0.272 0.000 0.754 280 K HN 0.064 nan 8.250 nan 0.000 0.466 281 A N 1.229 124.117 122.820 0.114 0.000 2.337 281 A HA 0.062 4.381 4.320 -0.001 0.000 0.227 281 A C 0.666 178.293 177.584 0.071 0.000 1.259 281 A CA -0.213 51.882 52.037 0.097 0.000 0.870 281 A CB 0.014 19.086 19.000 0.119 0.000 0.927 281 A HN 0.036 nan 8.150 nan 0.000 0.497 282 V N 0.666 120.570 119.914 -0.018 0.000 2.637 282 V HA 0.375 4.494 4.120 -0.001 0.000 0.296 282 V C -0.245 175.807 176.094 -0.071 0.000 1.046 282 V CA 0.148 62.382 62.300 -0.110 0.000 1.066 282 V CB 0.762 32.312 31.823 -0.455 0.000 0.968 282 V HN 0.444 nan 8.190 nan 0.000 0.483 283 K N 5.642 126.016 120.400 -0.044 0.000 2.508 283 K HA 0.472 4.792 4.320 -0.001 0.000 0.260 283 K C -0.772 175.783 176.600 -0.075 0.000 0.949 283 K CA -0.830 55.420 56.287 -0.062 0.000 0.834 283 K CB 2.620 35.102 32.500 -0.029 0.000 1.365 283 K HN 0.764 nan 8.250 nan 0.000 0.437 284 I N 2.136 122.639 120.570 -0.111 0.000 2.779 284 I HA 0.021 4.191 4.170 -0.001 0.000 0.285 284 I C 0.100 176.171 176.117 -0.076 0.000 1.134 284 I CA 0.358 61.586 61.300 -0.119 0.000 1.398 284 I CB 0.519 38.420 38.000 -0.165 0.000 1.404 284 I HN 0.636 nan 8.210 nan 0.000 0.587 285 E N 4.296 124.456 120.200 -0.067 0.000 2.339 285 E HA 0.196 4.546 4.350 -0.001 0.000 0.262 285 E C 0.099 176.675 176.600 -0.039 0.000 0.934 285 E CA -0.634 55.740 56.400 -0.043 0.000 0.802 285 E CB 1.170 30.852 29.700 -0.030 0.000 1.275 285 E HN 0.556 nan 8.360 nan 0.000 0.427 286 E N 1.114 121.298 120.200 -0.026 0.000 2.065 286 E HA -0.254 4.096 4.350 -0.001 0.000 0.201 286 E C 1.887 178.483 176.600 -0.007 0.000 1.016 286 E CA 2.859 59.249 56.400 -0.016 0.000 0.818 286 E CB -0.429 29.265 29.700 -0.009 0.000 0.749 286 E HN 0.580 nan 8.360 nan 0.000 0.453 287 S N -0.492 115.204 115.700 -0.005 0.000 2.447 287 S HA -0.104 4.365 4.470 -0.001 0.000 0.233 287 S C 1.869 176.486 174.600 0.028 0.000 1.006 287 S CA 1.048 59.256 58.200 0.014 0.000 0.957 287 S CB -0.265 62.937 63.200 0.004 0.000 0.773 287 S HN 0.330 nan 8.310 nan 0.000 0.507 288 E N 1.170 121.362 120.200 -0.013 0.000 2.047 288 E HA 0.001 4.351 4.350 -0.001 0.000 0.191 288 E C 1.947 178.563 176.600 0.026 0.000 0.987 288 E CA 1.260 57.647 56.400 -0.022 0.000 0.799 288 E CB -0.343 29.304 29.700 -0.088 0.000 0.752 288 E HN 0.543 nan 8.360 nan 0.000 0.449 289 I N 1.848 122.413 120.570 -0.008 0.000 2.163 289 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 289 I C 1.926 178.057 176.117 0.023 0.000 1.085 289 I CA 0.959 62.252 61.300 -0.012 0.000 1.347 289 I CB -0.277 37.707 38.000 -0.028 0.000 1.044 289 I HN 0.108 nan 8.210 nan 0.000 0.408 290 N N -0.055 118.669 118.700 0.040 0.000 2.244 290 N HA -0.224 4.515 4.740 -0.001 0.000 0.183 290 N C 1.761 177.313 175.510 0.070 0.000 1.016 290 N CA 1.212 54.288 53.050 0.044 0.000 0.866 290 N CB -0.537 37.977 38.487 0.045 0.000 0.980 290 N HN 0.428 nan 8.380 nan 0.000 0.430 291 Y N 1.584 121.872 120.300 -0.020 0.000 2.163 291 Y HA -0.029 4.520 4.550 -0.001 0.000 0.288 291 Y C 2.134 178.032 175.900 -0.004 0.000 1.136 291 Y CA 1.314 59.406 58.100 -0.015 0.000 1.147 291 Y CB -0.309 38.132 38.460 -0.032 0.000 0.987 291 Y HN -0.060 nan 8.280 nan 0.000 0.509 292 L N -0.548 120.753 121.223 0.130 0.000 2.072 292 L HA -0.198 4.141 4.340 -0.001 0.000 0.205 292 L C 2.333 179.210 176.870 0.011 0.000 1.079 292 L CA 1.054 55.925 54.840 0.052 0.000 0.752 292 L CB -0.524 41.562 42.059 0.045 0.000 0.906 292 L HN 0.288 nan 8.230 nan 0.000 0.436 293 L N -0.197 121.035 121.223 0.015 0.000 2.217 293 L HA -0.174 4.165 4.340 -0.001 0.000 0.211 293 L C 2.470 179.387 176.870 0.078 0.000 1.107 293 L CA 0.805 55.676 54.840 0.052 0.000 0.783 293 L CB -0.635 41.437 42.059 0.022 0.000 0.919 293 L HN 0.440 nan 8.230 nan 0.000 0.442 294 N N 0.385 119.080 118.700 -0.009 0.000 2.080 294 N HA -0.192 4.547 4.740 -0.001 0.000 0.189 294 N C 1.964 177.456 175.510 -0.030 0.000 1.036 294 N CA 1.671 54.701 53.050 -0.033 0.000 0.846 294 N CB 0.005 38.438 38.487 -0.090 0.000 1.015 294 N HN 0.188 nan 8.380 nan 0.000 0.423 295 V N 0.770 120.619 119.914 -0.109 0.000 2.407 295 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 295 V C 2.151 178.327 176.094 0.136 0.000 1.055 295 V CA 1.770 64.050 62.300 -0.033 0.000 1.049 295 V CB -0.875 30.844 31.823 -0.173 0.000 0.662 295 V HN 0.447 nan 8.190 nan 0.000 0.455 296 Y N 1.618 121.947 120.300 0.049 0.000 2.133 296 Y HA -0.217 4.333 4.550 -0.001 0.000 0.287 296 Y C 2.273 178.296 175.900 0.206 0.000 1.134 296 Y CA 2.529 60.712 58.100 0.137 0.000 1.133 296 Y CB -0.496 37.961 38.460 -0.005 0.000 0.987 296 Y HN 0.403 nan 8.280 nan 0.000 0.502 297 N N -1.065 117.745 118.700 0.183 0.000 2.396 297 N HA -0.129 4.610 4.740 -0.001 0.000 0.180 297 N C 1.545 177.047 175.510 -0.012 0.000 1.028 297 N CA 1.190 54.299 53.050 0.098 0.000 0.893 297 N CB -0.115 38.464 38.487 0.153 0.000 0.967 297 N HN 0.500 nan 8.380 nan 0.000 0.440 298 T N -2.804 111.744 114.554 -0.010 0.000 3.088 298 T HA 0.021 4.370 4.350 -0.001 0.000 0.259 298 T C 1.218 175.818 174.700 -0.167 0.000 1.122 298 T CA 0.910 62.963 62.100 -0.078 0.000 1.095 298 T CB -0.022 68.793 68.868 -0.087 0.000 0.930 298 T HN 0.243 nan 8.240 nan 0.000 0.508 299 H N -1.217 117.724 119.070 -0.215 0.000 2.695 299 H HA 0.443 4.998 4.556 -0.001 0.000 0.267 299 H C -0.368 174.625 175.328 -0.559 0.000 0.973 299 H CA -0.008 55.820 56.048 -0.366 0.000 1.223 299 H CB 0.463 29.973 29.762 -0.420 0.000 1.442 299 H HN 0.312 nan 8.280 nan 0.000 0.478 300 F N 0.574 120.284 119.950 -0.399 0.000 2.425 300 F HA 0.305 4.831 4.527 -0.001 0.000 0.331 300 F C 1.266 176.909 175.800 -0.261 0.000 1.085 300 F CA -0.669 57.068 58.000 -0.438 0.000 1.028 300 F CB 1.586 40.149 39.000 -0.727 0.000 1.177 300 F HN -0.196 nan 8.300 nan 0.000 0.487 301 K N 0.536 120.950 120.400 0.022 0.000 2.167 301 K HA -0.055 4.265 4.320 -0.001 0.000 0.203 301 K C 0.664 177.308 176.600 0.073 0.000 1.052 301 K CA 0.671 56.969 56.287 0.019 0.000 0.956 301 K CB 0.109 32.617 32.500 0.012 0.000 0.735 301 K HN 0.369 nan 8.250 nan 0.000 0.451 302 K N 2.596 123.077 120.400 0.134 0.000 2.292 302 K HA 0.011 4.331 4.320 -0.001 0.000 0.290 302 K C -0.477 176.271 176.600 0.246 0.000 1.083 302 K CA -0.101 56.281 56.287 0.158 0.000 0.918 302 K CB 0.580 33.177 32.500 0.162 0.000 1.089 302 K HN -0.047 nan 8.250 nan 0.000 0.473 303 Q N 3.646 123.557 119.800 0.185 0.000 2.299 303 Q HA 0.276 4.616 4.340 -0.001 0.000 0.246 303 Q C -0.124 175.980 176.000 0.173 0.000 0.935 303 Q CA -0.292 55.642 55.803 0.218 0.000 0.887 303 Q CB 1.420 30.227 28.738 0.116 0.000 1.223 303 Q HN 0.590 nan 8.270 nan 0.000 0.439 304 L N 0.889 122.208 121.223 0.160 0.000 2.334 304 L HA 0.467 4.807 4.340 -0.001 0.000 0.273 304 L C 0.417 177.294 176.870 0.011 0.000 1.013 304 L CA -0.584 54.253 54.840 -0.005 0.000 0.816 304 L CB 1.880 43.807 42.059 -0.220 0.000 1.278 304 L HN 0.721 nan 8.230 nan 0.000 0.431 305 S N 1.182 116.877 115.700 -0.008 0.000 2.766 305 S HA 0.442 4.911 4.470 -0.001 0.000 0.307 305 S C 0.827 175.415 174.600 -0.019 0.000 1.121 305 S CA -0.773 57.425 58.200 -0.003 0.000 0.980 305 S CB 1.762 64.966 63.200 0.006 0.000 1.159 305 S HN 0.648 nan 8.310 nan 0.000 0.546 306 R N 0.226 120.719 120.500 -0.012 0.000 2.117 306 R HA -0.129 4.210 4.340 -0.001 0.000 0.243 306 R C 1.094 177.388 176.300 -0.010 0.000 1.143 306 R CA 2.101 58.192 56.100 -0.014 0.000 0.968 306 R CB -0.539 29.757 30.300 -0.007 0.000 0.863 306 R HN 0.699 nan 8.270 nan 0.000 0.444 307 D N 0.202 120.600 120.400 -0.004 0.000 2.218 307 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 307 D C 1.028 177.330 176.300 0.004 0.000 0.976 307 D CA 1.000 55.002 54.000 0.003 0.000 0.853 307 D CB -0.121 40.683 40.800 0.007 0.000 0.939 307 D HN 0.250 nan 8.370 nan 0.000 0.481 308 D N 0.473 120.869 120.400 -0.006 0.000 2.312 308 D HA 0.008 4.647 4.640 -0.001 0.000 0.211 308 D C 0.937 177.238 176.300 0.001 0.000 0.964 308 D CA 0.125 54.120 54.000 -0.007 0.000 0.877 308 D CB 0.348 41.126 40.800 -0.036 0.000 0.924 308 D HN 0.277 nan 8.370 nan 0.000 0.515 309 I N 1.502 122.068 120.570 -0.007 0.000 2.598 309 I HA -0.096 4.073 4.170 -0.001 0.000 0.284 309 I C 1.675 177.812 176.117 0.035 0.000 1.140 309 I CA -0.215 61.084 61.300 -0.002 0.000 1.420 309 I CB 1.460 39.446 38.000 -0.025 0.000 1.387 309 I HN -0.175 nan 8.210 nan 0.000 0.553 310 V N 3.976 123.929 119.914 0.065 0.000 3.431 310 V HA 0.268 4.387 4.120 -0.001 0.000 0.253 310 V C -0.061 176.139 176.094 0.177 0.000 1.184 310 V CA -0.036 62.316 62.300 0.087 0.000 1.104 310 V CB -0.022 31.839 31.823 0.063 0.000 0.799 310 V HN 0.790 nan 8.190 nan 0.000 0.462 311 W N 0.617 121.880 121.300 -0.062 0.000 3.153 311 W HA 0.653 5.312 4.660 -0.001 0.000 0.316 311 W C -1.190 175.301 176.519 -0.046 0.000 1.255 311 W CA 0.092 57.406 57.345 -0.052 0.000 1.192 311 W CB 1.290 30.733 29.460 -0.028 0.000 1.400 311 W HN 0.190 nan 8.180 nan 0.000 0.568 312 T N 1.092 115.235 114.554 -0.685 0.000 2.883 312 T HA 0.812 5.161 4.350 -0.001 0.000 0.301 312 T C -1.311 172.784 174.700 -1.009 0.000 1.158 312 T CA -0.607 61.088 62.100 -0.676 0.000 1.007 312 T CB 2.222 70.862 68.868 -0.380 0.000 1.186 312 T HN 0.885 nan 8.240 nan 0.000 0.499 313 Y N -1.493 118.305 120.300 -0.838 0.000 2.655 313 Y HA 0.882 5.431 4.550 -0.001 0.000 0.336 313 Y C -0.733 174.961 175.900 -0.343 0.000 1.154 313 Y CA -1.199 56.492 58.100 -0.683 0.000 1.055 313 Y CB 1.480 39.424 38.460 -0.860 0.000 1.295 313 Y HN 0.893 nan 8.280 nan 0.000 0.465 314 S N -0.147 115.497 115.700 -0.093 0.000 2.533 314 S HA 0.823 5.292 4.470 -0.001 0.000 0.271 314 S C -0.875 173.687 174.600 -0.063 0.000 1.143 314 S CA 0.056 58.183 58.200 -0.122 0.000 0.891 314 S CB 1.401 64.499 63.200 -0.170 0.000 1.105 314 S HN 1.555 nan 8.310 nan 0.000 0.468 315 G N 0.835 109.587 108.800 -0.080 0.000 2.725 315 G HA2 0.689 4.649 3.960 -0.001 0.000 0.288 315 G HA3 0.689 4.649 3.960 -0.001 0.000 0.288 315 G C -0.962 173.820 174.900 -0.197 0.000 1.399 315 G CA -0.229 44.802 45.100 -0.115 0.000 0.859 315 G HN 1.438 nan 8.290 nan 0.000 0.479 316 V N -1.460 118.306 119.914 -0.247 0.000 2.398 316 V HA 0.684 4.803 4.120 -0.001 0.000 0.286 316 V C -0.002 176.006 176.094 -0.144 0.000 1.026 316 V CA -1.293 60.853 62.300 -0.257 0.000 0.868 316 V CB 1.129 32.708 31.823 -0.406 0.000 0.982 316 V HN 0.707 nan 8.190 nan 0.000 0.443 317 R N 5.748 126.193 120.500 -0.092 0.000 2.401 317 R HA 0.339 4.678 4.340 -0.001 0.000 0.299 317 R C -2.430 173.842 176.300 -0.048 0.000 1.064 317 R CA -1.290 54.782 56.100 -0.047 0.000 1.000 317 R CB 0.604 30.892 30.300 -0.020 0.000 0.973 317 R HN 0.615 nan 8.270 nan 0.000 0.438 318 P HA 0.140 nan 4.420 nan 0.000 0.274 318 P C -0.784 176.528 177.300 0.019 0.000 1.504 318 P CA -0.062 63.029 63.100 -0.016 0.000 1.011 318 P CB 0.587 32.278 31.700 -0.014 0.000 1.366 319 L N 3.371 124.602 121.223 0.013 0.000 2.289 319 L HA 0.333 4.673 4.340 -0.001 0.000 0.285 319 L C 1.016 177.904 176.870 0.030 0.000 1.049 319 L CA -0.997 53.847 54.840 0.006 0.000 0.804 319 L CB 1.527 43.568 42.059 -0.029 0.000 1.195 319 L HN 0.352 nan 8.230 nan 0.000 0.428 320 C N 3.000 122.318 119.300 0.031 0.000 2.517 320 C HA -0.080 4.379 4.460 -0.001 0.000 0.403 320 C C 0.792 175.762 174.990 -0.034 0.000 1.467 320 C CA -0.330 58.687 59.018 -0.001 0.000 1.542 320 C CB -0.843 26.833 27.740 -0.107 0.000 2.482 320 C HN 0.683 nan 8.230 nan 0.000 0.610 321 D N 4.005 124.401 120.400 -0.006 0.000 2.357 321 D HA 0.054 4.693 4.640 -0.001 0.000 0.265 321 D C 0.910 177.194 176.300 -0.027 0.000 1.334 321 D CA 0.161 54.153 54.000 -0.014 0.000 0.984 321 D CB 0.424 41.226 40.800 0.002 0.000 1.077 321 D HN 0.745 nan 8.370 nan 0.000 0.514 322 D N 2.418 122.788 120.400 -0.051 0.000 2.340 322 D HA -0.036 4.603 4.640 -0.001 0.000 0.220 322 D C 0.382 176.654 176.300 -0.046 0.000 1.039 322 D CA -0.019 53.949 54.000 -0.054 0.000 0.866 322 D CB -0.184 40.569 40.800 -0.079 0.000 0.913 322 D HN 0.594 nan 8.370 nan 0.000 0.523 323 E N -1.400 118.775 120.200 -0.041 0.000 4.028 323 E HA -0.166 4.184 4.350 -0.001 0.000 0.343 323 E C -0.556 176.021 176.600 -0.038 0.000 0.700 323 E CA 0.666 57.045 56.400 -0.036 0.000 1.288 323 E CB -1.692 27.988 29.700 -0.032 0.000 1.677 323 E HN 0.199 nan 8.360 nan 0.000 0.424 324 S N 0.641 116.312 115.700 -0.048 0.000 2.558 324 S HA -0.054 4.416 4.470 -0.001 0.000 0.291 324 S C 1.038 175.614 174.600 -0.040 0.000 1.306 324 S CA 0.594 58.765 58.200 -0.048 0.000 1.056 324 S CB 1.002 64.160 63.200 -0.070 0.000 0.836 324 S HN 0.358 nan 8.310 nan 0.000 0.504 325 D N 2.796 123.177 120.400 -0.031 0.000 2.120 325 D HA -0.137 4.502 4.640 -0.001 0.000 0.191 325 D C 0.665 176.946 176.300 -0.031 0.000 0.994 325 D CA 1.526 55.510 54.000 -0.026 0.000 0.838 325 D CB 0.026 40.816 40.800 -0.017 0.000 0.976 325 D HN 0.432 nan 8.370 nan 0.000 0.447 326 S N -0.338 115.343 115.700 -0.031 0.000 2.499 326 S HA 0.197 4.666 4.470 -0.001 0.000 0.275 326 S C -1.842 172.727 174.600 -0.052 0.000 1.257 326 S CA -1.374 56.806 58.200 -0.034 0.000 1.050 326 S CB 1.383 64.572 63.200 -0.017 0.000 0.937 326 S HN 0.073 nan 8.310 nan 0.000 0.490 327 P HA -0.203 nan 4.420 nan 0.000 0.217 327 P C 1.431 178.690 177.300 -0.068 0.000 1.148 327 P CA 1.022 64.087 63.100 -0.059 0.000 0.828 327 P CB 0.061 31.727 31.700 -0.055 0.000 0.783 328 Q N -0.978 118.788 119.800 -0.057 0.000 2.369 328 Q HA -0.013 4.327 4.340 -0.001 0.000 0.206 328 Q C 1.687 177.621 176.000 -0.109 0.000 0.963 328 Q CA 1.483 57.260 55.803 -0.043 0.000 0.894 328 Q CB -0.678 28.061 28.738 0.001 0.000 0.965 328 Q HN 0.134 nan 8.270 nan 0.000 0.475 329 A N 1.107 123.827 122.820 -0.165 0.000 2.195 329 A HA 0.240 4.559 4.320 -0.001 0.000 0.210 329 A C 1.027 178.398 177.584 -0.356 0.000 1.165 329 A CA -0.452 51.359 52.037 -0.377 0.000 0.806 329 A CB -0.123 18.761 19.000 -0.194 0.000 0.847 329 A HN 0.325 nan 8.150 nan 0.000 0.482 330 I N 1.037 121.477 120.570 -0.217 0.000 2.880 330 I HA -0.054 4.116 4.170 -0.001 0.000 0.296 330 I C 1.134 177.102 176.117 -0.249 0.000 1.220 330 I CA 0.229 61.418 61.300 -0.186 0.000 1.435 330 I CB 0.375 38.300 38.000 -0.123 0.000 1.339 330 I HN 0.129 nan 8.210 nan 0.000 0.583 331 T N 4.543 118.959 114.554 -0.229 0.000 2.919 331 T HA 0.131 4.481 4.350 -0.001 0.000 0.302 331 T C 0.863 175.400 174.700 -0.271 0.000 1.031 331 T CA -0.163 61.771 62.100 -0.277 0.000 1.127 331 T CB 0.493 69.228 68.868 -0.220 0.000 0.952 331 T HN 0.514 nan 8.240 nan 0.000 0.540 332 R N 1.897 122.165 120.500 -0.388 0.000 2.362 332 R HA 0.285 4.624 4.340 -0.001 0.000 0.227 332 R C 0.134 176.332 176.300 -0.170 0.000 0.905 332 R CA -0.233 55.696 56.100 -0.285 0.000 1.067 332 R CB -0.013 30.037 30.300 -0.418 0.000 1.078 332 R HN 0.605 nan 8.270 nan 0.000 0.516 333 D N 0.226 120.500 120.400 -0.209 0.000 2.382 333 D HA -0.058 4.581 4.640 -0.001 0.000 0.240 333 D C -0.356 175.869 176.300 -0.125 0.000 1.146 333 D CA 0.015 53.901 54.000 -0.189 0.000 0.897 333 D CB 0.511 41.146 40.800 -0.276 0.000 1.197 333 D HN 0.049 nan 8.370 nan 0.000 0.432 334 Y N -0.845 119.417 120.300 -0.062 0.000 2.354 334 Y HA 0.590 5.139 4.550 -0.001 0.000 0.322 334 Y C 0.013 175.869 175.900 -0.075 0.000 1.253 334 Y CA -0.873 57.200 58.100 -0.044 0.000 1.272 334 Y CB 0.610 39.068 38.460 -0.002 0.000 1.255 334 Y HN 0.015 nan 8.280 nan 0.000 0.500 335 T N 3.903 118.514 114.554 0.095 0.000 2.848 335 T HA 0.545 4.894 4.350 -0.001 0.000 0.285 335 T C -0.744 174.068 174.700 0.187 0.000 0.995 335 T CA -0.705 61.370 62.100 -0.041 0.000 0.970 335 T CB 0.710 69.299 68.868 -0.465 0.000 0.976 335 T HN 0.585 nan 8.240 nan 0.000 0.441 336 L N 2.724 124.069 121.223 0.204 0.000 2.317 336 L HA 0.648 4.987 4.340 -0.001 0.000 0.281 336 L C -0.236 176.800 176.870 0.276 0.000 1.024 336 L CA -0.892 54.109 54.840 0.268 0.000 0.810 336 L CB 1.479 43.678 42.059 0.233 0.000 1.240 336 L HN 0.580 nan 8.230 nan 0.000 0.427 337 D N 2.535 123.164 120.400 0.381 0.000 2.375 337 D HA 0.603 5.243 4.640 -0.001 0.000 0.247 337 D C -1.210 175.282 176.300 0.320 0.000 1.061 337 D CA -0.355 53.865 54.000 0.367 0.000 0.834 337 D CB 2.082 43.158 40.800 0.460 0.000 1.247 337 D HN 0.436 nan 8.370 nan 0.000 0.489 338 I N 2.764 123.503 120.570 0.281 0.000 2.646 338 I HA 0.558 4.727 4.170 -0.001 0.000 0.299 338 I C -1.683 174.641 176.117 0.345 0.000 1.036 338 I CA -0.642 60.823 61.300 0.275 0.000 1.074 338 I CB 1.536 39.671 38.000 0.225 0.000 1.258 338 I HN 0.541 nan 8.210 nan 0.000 0.430 339 H N 3.675 122.846 119.070 0.169 0.000 3.086 339 H HA 0.417 4.972 4.556 -0.001 0.000 0.353 339 H C -1.719 173.690 175.328 0.134 0.000 1.134 339 H CA -0.666 55.478 56.048 0.161 0.000 1.248 339 H CB 1.334 31.208 29.762 0.186 0.000 1.878 339 H HN 0.722 nan 8.280 nan 0.000 0.527 340 D N 1.196 121.493 120.400 -0.171 0.000 2.650 340 D HA 0.300 4.939 4.640 -0.001 0.000 0.255 340 D C 0.779 176.981 176.300 -0.163 0.000 1.135 340 D CA -0.579 53.363 54.000 -0.096 0.000 1.099 340 D CB 1.401 42.208 40.800 0.011 0.000 1.273 340 D HN 0.653 nan 8.370 nan 0.000 0.628 341 E N -0.740 119.403 120.200 -0.094 0.000 3.332 341 E HA 0.138 4.487 4.350 -0.001 0.000 0.315 341 E C 0.092 176.658 176.600 -0.057 0.000 0.803 341 E CA -0.568 55.783 56.400 -0.081 0.000 1.261 341 E CB -0.355 29.289 29.700 -0.093 0.000 2.649 341 E HN 0.217 nan 8.360 nan 0.000 0.554 342 N N 0.881 119.552 118.700 -0.048 0.000 2.878 342 N HA 0.131 4.870 4.740 -0.001 0.000 0.282 342 N C 0.223 175.726 175.510 -0.010 0.000 1.284 342 N CA 0.851 53.883 53.050 -0.030 0.000 1.053 342 N CB 0.633 39.099 38.487 -0.034 0.000 1.382 342 N HN 0.699 nan 8.380 nan 0.000 0.529 343 G N 0.271 109.079 108.800 0.013 0.000 2.175 343 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.265 343 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.265 343 G C 0.287 175.278 174.900 0.152 0.000 0.979 343 G CA 0.628 45.770 45.100 0.071 0.000 0.663 343 G HN 0.414 nan 8.290 nan 0.000 0.533 344 K N -1.024 119.420 120.400 0.074 0.000 2.312 344 K HA 0.763 5.083 4.320 -0.001 0.000 0.236 344 K C 0.945 177.510 176.600 -0.059 0.000 1.079 344 K CA -0.631 55.683 56.287 0.045 0.000 0.900 344 K CB 1.355 33.841 32.500 -0.023 0.000 1.297 344 K HN 1.374 nan 8.250 nan 0.000 0.498 345 A N 1.002 123.757 122.820 -0.108 0.000 2.466 345 A HA -0.100 4.219 4.320 -0.001 0.000 0.295 345 A C -2.278 175.337 177.584 0.052 0.000 1.465 345 A CA 0.000 51.927 52.037 -0.183 0.000 0.744 345 A CB -1.965 16.630 19.000 -0.675 0.000 1.098 345 A HN 0.318 nan 8.150 nan 0.000 0.402 346 P HA 0.439 nan 4.420 nan 0.000 0.272 346 P C -0.362 177.101 177.300 0.273 0.000 1.230 346 P CA -0.188 62.834 63.100 -0.129 0.000 0.788 346 P CB 0.933 32.179 31.700 -0.757 0.000 0.949 347 L N 2.896 124.277 121.223 0.262 0.000 2.372 347 L HA 0.508 4.848 4.340 -0.001 0.000 0.274 347 L C -1.203 175.765 176.870 0.164 0.000 0.988 347 L CA -0.810 54.151 54.840 0.203 0.000 0.833 347 L CB 0.968 43.214 42.059 0.311 0.000 1.236 347 L HN 0.214 nan 8.230 nan 0.000 0.410 348 L N 4.811 126.085 121.223 0.084 0.000 2.309 348 L HA 0.820 5.159 4.340 -0.001 0.000 0.282 348 L C -0.418 176.517 176.870 0.109 0.000 1.036 348 L CA 0.209 55.124 54.840 0.126 0.000 0.806 348 L CB 1.575 43.693 42.059 0.098 0.000 1.220 348 L HN 0.853 nan 8.230 nan 0.000 0.429 349 S N 3.419 119.242 115.700 0.206 0.000 2.542 349 S HA 0.817 5.287 4.470 -0.001 0.000 0.293 349 S C -0.944 173.698 174.600 0.070 0.000 1.089 349 S CA -0.847 57.445 58.200 0.153 0.000 0.961 349 S CB 1.968 65.419 63.200 0.418 0.000 1.062 349 S HN 0.363 nan 8.310 nan 0.000 0.483 350 V N 2.257 122.050 119.914 -0.202 0.000 2.487 350 V HA 0.552 4.671 4.120 -0.001 0.000 0.298 350 V C -1.547 174.303 176.094 -0.406 0.000 1.028 350 V CA -0.538 61.679 62.300 -0.139 0.000 0.860 350 V CB 0.895 32.656 31.823 -0.103 0.000 0.991 350 V HN 0.866 nan 8.190 nan 0.000 0.427 351 F N 3.042 123.027 119.950 0.057 0.000 2.427 351 F HA 0.800 5.326 4.527 -0.001 0.000 0.348 351 F C 0.845 176.656 175.800 0.019 0.000 1.125 351 F CA 0.268 58.282 58.000 0.023 0.000 0.989 351 F CB 1.690 40.651 39.000 -0.066 0.000 1.165 351 F HN 0.874 nan 8.300 nan 0.000 0.442 352 G N 1.501 110.372 108.800 0.119 0.000 2.681 352 G HA2 0.395 4.354 3.960 -0.001 0.000 0.220 352 G HA3 0.395 4.354 3.960 -0.001 0.000 0.220 352 G C -0.149 174.816 174.900 0.108 0.000 1.353 352 G CA -0.165 44.996 45.100 0.101 0.000 0.872 352 G HN 1.938 nan 8.290 nan 0.000 0.557 353 G N -0.784 108.099 108.800 0.137 0.000 2.949 353 G HA2 0.391 4.350 3.960 -0.001 0.000 0.658 353 G HA3 0.391 4.350 3.960 -0.001 0.000 0.658 353 G C -0.117 174.835 174.900 0.086 0.000 1.194 353 G CA 0.523 45.700 45.100 0.128 0.000 1.204 353 G HN 0.961 nan 8.290 nan 0.000 0.524 354 K N 0.771 121.248 120.400 0.127 0.000 2.457 354 K HA 0.101 4.421 4.320 -0.001 0.000 0.269 354 K C 1.622 178.283 176.600 0.102 0.000 0.969 354 K CA -0.112 56.250 56.287 0.125 0.000 0.921 354 K CB 0.671 33.275 32.500 0.172 0.000 0.940 354 K HN 0.340 nan 8.250 nan 0.000 0.517 355 L N 2.124 123.402 121.223 0.091 0.000 2.056 355 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 355 L C 2.142 179.106 176.870 0.157 0.000 1.078 355 L CA 1.975 56.861 54.840 0.077 0.000 0.749 355 L CB -0.515 41.548 42.059 0.007 0.000 0.901 355 L HN 0.788 nan 8.230 nan 0.000 0.433 356 T N -1.097 113.537 114.554 0.133 0.000 2.649 356 T HA -0.259 4.090 4.350 -0.001 0.000 0.268 356 T C 1.544 176.287 174.700 0.071 0.000 1.036 356 T CA 2.199 64.367 62.100 0.113 0.000 1.157 356 T CB -0.646 68.292 68.868 0.117 0.000 0.861 356 T HN 0.660 nan 8.240 nan 0.000 0.445 357 T N -0.197 114.401 114.554 0.073 0.000 3.169 357 T HA 0.064 4.413 4.350 -0.001 0.000 0.250 357 T C 1.636 176.264 174.700 -0.119 0.000 1.111 357 T CA 0.192 62.300 62.100 0.014 0.000 1.010 357 T CB -0.705 68.260 68.868 0.163 0.000 0.984 357 T HN 0.665 nan 8.240 nan 0.000 0.537 358 Y N 1.608 121.842 120.300 -0.110 0.000 2.256 358 Y HA 0.054 4.603 4.550 -0.001 0.000 0.288 358 Y C 2.470 178.263 175.900 -0.178 0.000 1.155 358 Y CA 0.864 58.863 58.100 -0.168 0.000 1.203 358 Y CB -0.364 38.018 38.460 -0.130 0.000 0.980 358 Y HN 0.123 nan 8.280 nan 0.000 0.530 359 R N 0.865 120.558 120.500 -1.345 0.000 2.090 359 R HA -0.089 4.250 4.340 -0.001 0.000 0.228 359 R C 2.149 178.146 176.300 -0.504 0.000 1.110 359 R CA 1.289 56.784 56.100 -1.009 0.000 0.973 359 R CB -0.067 29.676 30.300 -0.929 0.000 0.869 359 R HN 0.366 nan 8.270 nan 0.000 0.440 360 K N 0.620 120.783 120.400 -0.395 0.000 2.103 360 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 360 K C 2.143 178.606 176.600 -0.228 0.000 1.052 360 K CA 0.747 56.862 56.287 -0.286 0.000 0.945 360 K CB -0.170 32.262 32.500 -0.113 0.000 0.722 360 K HN 0.204 nan 8.250 nan 0.000 0.443 361 L N 0.917 121.962 121.223 -0.297 0.000 2.013 361 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 361 L C 2.293 179.052 176.870 -0.186 0.000 1.073 361 L CA 1.811 56.386 54.840 -0.441 0.000 0.753 361 L CB -0.358 41.222 42.059 -0.799 0.000 0.890 361 L HN 0.113 nan 8.230 nan 0.000 0.432 362 A N -0.894 121.809 122.820 -0.195 0.000 1.969 362 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 362 A C 2.130 179.642 177.584 -0.120 0.000 1.169 362 A CA 1.769 53.732 52.037 -0.123 0.000 0.635 362 A CB -0.521 18.415 19.000 -0.106 0.000 0.810 362 A HN 0.636 nan 8.150 nan 0.000 0.445 363 E N -0.988 119.090 120.200 -0.203 0.000 2.046 363 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 363 E C 1.909 178.434 176.600 -0.124 0.000 0.982 363 E CA 0.938 57.212 56.400 -0.211 0.000 0.800 363 E CB -0.168 29.341 29.700 -0.319 0.000 0.756 363 E HN 0.714 nan 8.360 nan 0.000 0.449 364 H N -0.217 118.858 119.070 0.007 0.000 2.353 364 H HA -0.131 4.424 4.556 -0.001 0.000 0.298 364 H C 1.979 177.351 175.328 0.073 0.000 1.103 364 H CA 1.427 57.514 56.048 0.065 0.000 1.293 364 H CB -0.455 29.388 29.762 0.135 0.000 1.372 364 H HN 0.300 nan 8.280 nan 0.000 0.501 365 A N 1.198 124.112 122.820 0.156 0.000 1.972 365 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 365 A C 2.446 180.100 177.584 0.116 0.000 1.169 365 A CA 0.970 53.080 52.037 0.121 0.000 0.635 365 A CB -0.362 18.674 19.000 0.061 0.000 0.810 365 A HN 0.182 nan 8.150 nan 0.000 0.446 366 L N -0.290 120.983 121.223 0.083 0.000 2.270 366 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 366 L C 2.412 179.359 176.870 0.127 0.000 1.104 366 L CA 1.631 56.526 54.840 0.092 0.000 0.804 366 L CB -1.125 40.965 42.059 0.051 0.000 0.937 366 L HN 0.625 nan 8.230 nan 0.000 0.450 367 E N 1.046 121.319 120.200 0.122 0.000 2.049 367 E HA -0.278 4.071 4.350 -0.001 0.000 0.198 367 E C 1.868 178.571 176.600 0.172 0.000 1.007 367 E CA 1.725 58.209 56.400 0.139 0.000 0.809 367 E CB 0.153 29.944 29.700 0.151 0.000 0.749 367 E HN 0.423 nan 8.360 nan 0.000 0.450 368 K N -0.063 120.453 120.400 0.194 0.000 2.148 368 K HA -0.071 4.248 4.320 -0.001 0.000 0.204 368 K C 2.186 178.975 176.600 0.316 0.000 1.050 368 K CA 1.032 57.458 56.287 0.231 0.000 0.942 368 K CB -0.082 32.548 32.500 0.217 0.000 0.724 368 K HN 0.185 nan 8.250 nan 0.000 0.446 369 L N 0.534 121.942 121.223 0.309 0.000 2.558 369 L HA -0.005 4.334 4.340 -0.001 0.000 0.225 369 L C 1.917 179.116 176.870 0.550 0.000 1.128 369 L CA 0.496 55.610 54.840 0.457 0.000 0.868 369 L CB -0.346 41.955 42.059 0.402 0.000 1.006 369 L HN 0.101 nan 8.230 nan 0.000 0.454 370 T N 0.481 115.242 114.554 0.345 0.000 2.622 370 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 370 T C -0.392 174.424 174.700 0.192 0.000 1.047 370 T CA 1.417 63.680 62.100 0.271 0.000 1.159 370 T CB -1.073 67.894 68.868 0.165 0.000 0.863 370 T HN 0.179 nan 8.240 nan 0.000 0.422 371 P HA -0.142 nan 4.420 nan 0.000 0.219 371 P C 0.562 177.659 177.300 -0.338 0.000 1.149 371 P CA 1.377 64.361 63.100 -0.194 0.000 0.835 371 P CB -0.276 31.195 31.700 -0.382 0.000 0.778 372 Y N -4.149 116.140 120.300 -0.019 0.000 2.511 372 Y HA 0.105 4.654 4.550 -0.001 0.000 0.279 372 Y C 0.829 176.457 175.900 -0.453 0.000 1.157 372 Y CA 0.107 58.051 58.100 -0.260 0.000 1.300 372 Y CB -0.215 38.018 38.460 -0.377 0.000 1.052 372 Y HN -0.039 nan 8.280 nan 0.000 0.529 373 Y N -1.187 119.201 120.300 0.146 0.000 2.633 373 Y HA 0.316 4.866 4.550 -0.001 0.000 0.339 373 Y C 0.777 176.713 175.900 0.061 0.000 1.045 373 Y CA -1.628 56.537 58.100 0.108 0.000 1.098 373 Y CB 0.914 39.447 38.460 0.120 0.000 1.296 373 Y HN -0.322 nan 8.280 nan 0.000 0.494 374 Q N 0.595 120.523 119.800 0.214 0.000 1.367 374 Q HA 0.250 4.589 4.340 -0.001 0.000 0.686 374 Q C 1.730 177.779 176.000 0.081 0.000 0.896 374 Q CA 1.426 57.296 55.803 0.113 0.000 0.883 374 Q CB -0.832 27.965 28.738 0.099 0.000 1.471 374 Q HN 1.050 nan 8.270 nan 0.000 0.308 375 G N 0.580 109.420 108.800 0.067 0.000 2.383 375 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.229 375 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.229 375 G C 0.357 175.297 174.900 0.067 0.000 1.089 375 G CA 0.264 45.404 45.100 0.066 0.000 0.640 375 G HN 0.374 nan 8.290 nan 0.000 0.510 376 I N 2.959 123.585 120.570 0.093 0.000 2.529 376 I HA 0.508 4.677 4.170 -0.001 0.000 0.284 376 I C 1.428 177.584 176.117 0.064 0.000 1.082 376 I CA 0.285 61.636 61.300 0.084 0.000 1.406 376 I CB 0.675 38.754 38.000 0.131 0.000 1.405 376 I HN 0.350 nan 8.210 nan 0.000 0.548 377 G N 7.579 116.405 108.800 0.045 0.000 2.667 377 G HA2 0.309 4.268 3.960 -0.001 0.000 0.250 377 G HA3 0.309 4.268 3.960 -0.001 0.000 0.250 377 G C -2.512 172.440 174.900 0.086 0.000 1.212 377 G CA -0.745 44.381 45.100 0.043 0.000 0.874 377 G HN 0.487 nan 8.290 nan 0.000 0.561 378 P HA 0.397 nan 4.420 nan 0.000 0.279 378 P C 0.100 177.521 177.300 0.202 0.000 1.276 378 P CA -0.300 62.870 63.100 0.117 0.000 0.801 378 P CB 0.533 32.288 31.700 0.092 0.000 1.127 379 A N 0.881 123.792 122.820 0.152 0.000 2.583 379 A HA 0.147 4.466 4.320 -0.001 0.000 0.231 379 A C 0.613 178.336 177.584 0.232 0.000 1.065 379 A CA 0.387 52.498 52.037 0.125 0.000 0.760 379 A CB -0.817 18.191 19.000 0.013 0.000 1.001 379 A HN 0.942 nan 8.150 nan 0.000 0.509 380 W N 0.289 121.577 121.300 -0.020 0.000 0.852 380 W HA 0.014 4.674 4.660 -0.001 0.000 0.154 380 W C 0.569 177.079 176.519 -0.015 0.000 0.660 380 W CA 0.683 58.019 57.345 -0.014 0.000 0.576 380 W CB -1.024 28.431 29.460 -0.008 0.000 0.757 380 W HN 0.801 nan 8.180 nan 0.000 0.399 381 T N -1.371 112.785 114.554 -0.664 0.000 3.054 381 T HA 0.036 4.385 4.350 -0.001 0.000 0.259 381 T C 1.576 176.085 174.700 -0.320 0.000 1.092 381 T CA 1.241 62.877 62.100 -0.773 0.000 1.121 381 T CB 0.038 68.346 68.868 -0.933 0.000 0.912 381 T HN 0.088 nan 8.240 nan 0.000 0.489 382 K N 0.829 121.101 120.400 -0.213 0.000 2.152 382 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 382 K C 1.887 178.461 176.600 -0.042 0.000 1.048 382 K CA 1.366 57.582 56.287 -0.117 0.000 0.933 382 K CB 0.059 32.505 32.500 -0.090 0.000 0.721 382 K HN 0.329 nan 8.250 nan 0.000 0.447 383 E N 0.254 120.458 120.200 0.007 0.000 2.318 383 E HA -0.036 4.313 4.350 -0.001 0.000 0.193 383 E C 1.138 177.794 176.600 0.093 0.000 0.998 383 E CA 0.345 56.784 56.400 0.065 0.000 0.859 383 E CB 0.082 29.853 29.700 0.118 0.000 0.812 383 E HN 0.299 nan 8.360 nan 0.000 0.492 384 S N -0.001 115.761 115.700 0.104 0.000 2.632 384 S HA 0.457 4.927 4.470 -0.001 0.000 0.267 384 S C 0.311 174.976 174.600 0.108 0.000 1.193 384 S CA -0.751 57.552 58.200 0.172 0.000 1.003 384 S CB 1.372 64.762 63.200 0.317 0.000 1.073 384 S HN -0.108 nan 8.310 nan 0.000 0.553 385 V N 1.125 121.114 119.914 0.126 0.000 2.610 385 V HA 0.322 4.441 4.120 -0.001 0.000 0.298 385 V C -0.432 175.728 176.094 0.110 0.000 1.067 385 V CA -0.621 61.738 62.300 0.098 0.000 0.894 385 V CB 1.402 33.269 31.823 0.075 0.000 1.015 385 V HN 0.852 nan 8.190 nan 0.000 0.432 386 L N 5.702 126.997 121.223 0.120 0.000 2.467 386 L HA 0.305 4.644 4.340 -0.001 0.000 0.270 386 L C -2.007 174.921 176.870 0.096 0.000 1.205 386 L CA -1.440 53.482 54.840 0.136 0.000 0.828 386 L CB 0.703 42.864 42.059 0.170 0.000 1.101 386 L HN 0.388 nan 8.230 nan 0.000 0.479 387 P HA -0.015 nan 4.420 nan 0.000 0.260 387 P C 0.599 177.871 177.300 -0.047 0.000 1.172 387 P CA 1.080 64.208 63.100 0.047 0.000 0.760 387 P CB 0.521 32.280 31.700 0.098 0.000 0.773 388 G N 2.745 111.429 108.800 -0.194 0.000 2.213 388 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.226 388 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.226 388 G C 1.115 175.542 174.900 -0.789 0.000 0.992 388 G CA 0.037 44.837 45.100 -0.501 0.000 0.632 388 G HN 0.748 nan 8.290 nan 0.000 0.511 389 G N 0.363 108.915 108.800 -0.413 0.000 2.985 389 G HA2 0.478 4.437 3.960 -0.001 0.000 0.209 389 G HA3 0.478 4.437 3.960 -0.001 0.000 0.209 389 G C 0.906 175.747 174.900 -0.099 0.000 1.165 389 G CA 1.199 46.200 45.100 -0.166 0.000 0.776 389 G HN 1.615 nan 8.290 nan 0.000 0.541 390 A N 1.485 124.224 122.820 -0.135 0.000 3.078 390 A HA 0.559 4.878 4.320 -0.001 0.000 0.279 390 A C 0.349 177.877 177.584 -0.094 0.000 1.594 390 A CA -0.535 51.460 52.037 -0.069 0.000 1.301 390 A CB -0.925 18.054 19.000 -0.035 0.000 1.162 390 A HN 0.540 nan 8.150 nan 0.000 0.585 391 I N -2.148 118.363 120.570 -0.098 0.000 2.339 391 I HA 0.514 4.683 4.170 -0.001 0.000 0.290 391 I C -0.342 175.806 176.117 0.051 0.000 0.994 391 I CA -0.775 60.475 61.300 -0.083 0.000 1.191 391 I CB 1.512 39.382 38.000 -0.216 0.000 1.343 391 I HN -0.003 nan 8.210 nan 0.000 0.458 392 E N 5.496 125.763 120.200 0.111 0.000 3.079 392 E HA 0.310 4.660 4.350 -0.001 0.000 0.267 392 E C 0.621 177.275 176.600 0.089 0.000 1.509 392 E CA 0.397 56.850 56.400 0.088 0.000 1.630 392 E CB -0.250 29.501 29.700 0.085 0.000 1.373 392 E HN 1.030 nan 8.360 nan 0.000 0.439 393 G N -0.450 108.402 108.800 0.087 0.000 1.960 393 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.066 393 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.066 393 G C -1.077 173.875 174.900 0.086 0.000 0.709 393 G CA -0.380 44.769 45.100 0.082 0.000 1.109 393 G HN 0.292 nan 8.290 nan 0.000 0.343 394 D N -0.095 120.362 120.400 0.096 0.000 2.433 394 D HA 0.524 5.163 4.640 -0.001 0.000 0.236 394 D C 1.630 177.996 176.300 0.110 0.000 1.026 394 D CA -0.585 53.467 54.000 0.087 0.000 0.884 394 D CB 1.928 42.766 40.800 0.064 0.000 1.384 394 D HN 0.447 nan 8.370 nan 0.000 0.477 395 R N 1.372 121.926 120.500 0.090 0.000 2.153 395 R HA -0.005 4.334 4.340 -0.001 0.000 0.218 395 R C 0.183 176.536 176.300 0.089 0.000 1.072 395 R CA 0.728 56.891 56.100 0.106 0.000 0.990 395 R CB -0.041 30.309 30.300 0.083 0.000 0.889 395 R HN 0.277 nan 8.270 nan 0.000 0.452 396 D N 1.632 122.052 120.400 0.034 0.000 2.224 396 D HA -0.069 4.570 4.640 -0.001 0.000 0.205 396 D C 0.078 176.395 176.300 0.028 0.000 0.965 396 D CA 1.042 55.048 54.000 0.009 0.000 0.852 396 D CB -0.097 40.688 40.800 -0.026 0.000 0.947 396 D HN 0.243 nan 8.370 nan 0.000 0.494 397 D N -0.889 119.543 120.400 0.053 0.000 2.706 397 D HA 0.035 4.675 4.640 -0.001 0.000 0.236 397 D C 0.464 176.833 176.300 0.115 0.000 1.231 397 D CA -0.120 53.913 54.000 0.054 0.000 0.828 397 D CB -0.088 40.740 40.800 0.048 0.000 1.015 397 D HN 0.256 nan 8.370 nan 0.000 0.484 398 Y N -0.222 120.086 120.300 0.015 0.000 2.435 398 Y HA 0.366 4.916 4.550 -0.001 0.000 0.270 398 Y C 1.906 177.822 175.900 0.026 0.000 1.093 398 Y CA 0.146 58.262 58.100 0.026 0.000 1.226 398 Y CB 0.348 38.833 38.460 0.042 0.000 1.289 398 Y HN -0.010 nan 8.280 nan 0.000 0.529 399 A N 0.545 123.419 122.820 0.090 0.000 2.014 399 A HA 0.122 4.441 4.320 -0.001 0.000 0.218 399 A C 2.156 179.702 177.584 -0.063 0.000 1.163 399 A CA 1.521 53.573 52.037 0.024 0.000 0.652 399 A CB -0.959 18.065 19.000 0.039 0.000 0.808 399 A HN 0.513 nan 8.150 nan 0.000 0.449 400 A N -0.110 122.671 122.820 -0.065 0.000 1.898 400 A HA -0.013 4.306 4.320 -0.001 0.000 0.214 400 A C 2.141 179.652 177.584 -0.121 0.000 1.183 400 A CA 1.131 53.120 52.037 -0.080 0.000 0.622 400 A CB -0.344 18.623 19.000 -0.055 0.000 0.824 400 A HN 0.464 nan 8.150 nan 0.000 0.444 401 R N -0.666 119.736 120.500 -0.163 0.000 2.237 401 R HA 0.111 4.450 4.340 -0.001 0.000 0.219 401 R C 1.811 177.941 176.300 -0.284 0.000 1.080 401 R CA 0.675 56.647 56.100 -0.214 0.000 0.995 401 R CB -0.216 29.947 30.300 -0.227 0.000 0.875 401 R HN 0.481 nan 8.270 nan 0.000 0.462 402 L N -0.359 120.683 121.223 -0.303 0.000 2.168 402 L HA -0.005 4.335 4.340 -0.001 0.000 0.203 402 L C 2.417 179.251 176.870 -0.060 0.000 1.078 402 L CA 0.869 55.594 54.840 -0.192 0.000 0.780 402 L CB -0.097 41.873 42.059 -0.149 0.000 0.939 402 L HN 0.111 nan 8.230 nan 0.000 0.451 403 R N -0.174 120.262 120.500 -0.106 0.000 2.148 403 R HA -0.154 4.185 4.340 -0.001 0.000 0.223 403 R C 2.306 178.527 176.300 -0.131 0.000 1.088 403 R CA 0.901 56.931 56.100 -0.117 0.000 0.985 403 R CB 0.019 30.251 30.300 -0.113 0.000 0.880 403 R HN 0.178 nan 8.270 nan 0.000 0.451 404 R N 0.379 120.799 120.500 -0.134 0.000 2.120 404 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 404 R C 2.153 178.346 176.300 -0.178 0.000 1.123 404 R CA 2.020 58.039 56.100 -0.135 0.000 0.975 404 R CB 0.031 30.257 30.300 -0.123 0.000 0.866 404 R HN 0.232 nan 8.270 nan 0.000 0.446 405 R N -2.009 118.336 120.500 -0.258 0.000 2.290 405 R HA 0.015 4.355 4.340 -0.001 0.000 0.197 405 R C -0.268 175.674 176.300 -0.596 0.000 0.913 405 R CA 0.572 56.423 56.100 -0.416 0.000 1.040 405 R CB 0.320 30.324 30.300 -0.494 0.000 0.992 405 R HN 0.092 nan 8.270 nan 0.000 0.500 406 Y N 1.146 121.300 120.300 -0.244 0.000 2.837 406 Y HA 0.433 4.982 4.550 -0.001 0.000 0.356 406 Y C -2.058 173.505 175.900 -0.561 0.000 1.035 406 Y CA -2.958 54.866 58.100 -0.459 0.000 1.165 406 Y CB 1.817 39.885 38.460 -0.654 0.000 1.147 406 Y HN 0.078 nan 8.280 nan 0.000 0.628 407 P HA -0.055 nan 4.420 nan 0.000 0.245 407 P C 1.009 178.255 177.300 -0.089 0.000 1.212 407 P CA 0.444 63.461 63.100 -0.137 0.000 0.774 407 P CB -0.427 31.234 31.700 -0.065 0.000 0.999 408 F N -1.604 118.352 119.950 0.011 0.000 2.699 408 F HA 0.138 4.664 4.527 -0.001 0.000 0.298 408 F C 0.551 176.326 175.800 -0.042 0.000 1.154 408 F CA -0.315 57.672 58.000 -0.022 0.000 1.457 408 F CB -1.192 37.788 39.000 -0.033 0.000 1.106 408 F HN -0.281 nan 8.300 nan 0.000 0.585 409 L N 3.018 123.986 121.223 -0.426 0.000 2.313 409 L HA 0.213 4.552 4.340 -0.001 0.000 0.282 409 L C 1.008 177.784 176.870 -0.156 0.000 1.092 409 L CA -0.687 53.986 54.840 -0.278 0.000 0.831 409 L CB 0.734 42.573 42.059 -0.367 0.000 1.159 409 L HN 0.279 nan 8.230 nan 0.000 0.442 410 T N -0.855 113.636 114.554 -0.104 0.000 2.788 410 T HA -0.042 4.308 4.350 -0.001 0.000 0.333 410 T C 0.963 175.587 174.700 -0.128 0.000 1.090 410 T CA -0.263 61.776 62.100 -0.102 0.000 1.094 410 T CB 0.710 69.517 68.868 -0.102 0.000 0.999 410 T HN 0.665 nan 8.240 nan 0.000 0.549 411 E N 0.532 120.665 120.200 -0.112 0.000 2.208 411 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 411 E C 2.493 179.018 176.600 -0.126 0.000 0.988 411 E CA 1.089 57.424 56.400 -0.108 0.000 0.828 411 E CB -0.123 29.524 29.700 -0.088 0.000 0.763 411 E HN 0.825 nan 8.360 nan 0.000 0.478 412 S N 0.986 116.594 115.700 -0.154 0.000 2.371 412 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 412 S C 2.023 176.496 174.600 -0.213 0.000 1.029 412 S CA 0.459 58.545 58.200 -0.189 0.000 0.978 412 S CB -0.285 62.767 63.200 -0.245 0.000 0.833 412 S HN 0.142 nan 8.310 nan 0.000 0.466 413 L N 2.276 123.347 121.223 -0.254 0.000 2.056 413 L HA 0.224 4.563 4.340 -0.001 0.000 0.207 413 L C 2.664 179.305 176.870 -0.382 0.000 1.078 413 L CA 1.524 56.146 54.840 -0.364 0.000 0.749 413 L CB -1.312 40.528 42.059 -0.365 0.000 0.901 413 L HN 0.352 nan 8.230 nan 0.000 0.433 414 A N -0.394 122.285 122.820 -0.236 0.000 1.883 414 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 414 A C 2.545 180.114 177.584 -0.025 0.000 1.186 414 A CA 1.874 53.837 52.037 -0.123 0.000 0.624 414 A CB -0.697 18.244 19.000 -0.098 0.000 0.822 414 A HN 0.484 nan 8.150 nan 0.000 0.444 415 R N -1.325 119.148 120.500 -0.045 0.000 2.096 415 R HA -0.263 4.076 4.340 -0.001 0.000 0.240 415 R C 2.208 178.528 176.300 0.032 0.000 1.139 415 R CA 2.250 58.343 56.100 -0.011 0.000 0.952 415 R CB -0.524 29.744 30.300 -0.053 0.000 0.854 415 R HN 0.780 nan 8.270 nan 0.000 0.436 416 H N -0.623 118.395 119.070 -0.086 0.000 2.293 416 H HA -0.180 4.375 4.556 -0.001 0.000 0.300 416 H C 1.623 177.049 175.328 0.164 0.000 1.082 416 H CA 2.308 58.342 56.048 -0.023 0.000 1.308 416 H CB -0.351 29.347 29.762 -0.107 0.000 1.375 416 H HN 0.232 nan 8.280 nan 0.000 0.495 417 Y N 0.180 120.521 120.300 0.068 0.000 2.224 417 Y HA -0.074 4.475 4.550 -0.001 0.000 0.289 417 Y C 2.845 178.802 175.900 0.095 0.000 1.146 417 Y CA 0.950 59.118 58.100 0.114 0.000 1.182 417 Y CB -1.275 37.268 38.460 0.139 0.000 0.983 417 Y HN 0.442 nan 8.280 nan 0.000 0.524 418 A N 0.118 123.103 122.820 0.276 0.000 1.898 418 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 418 A C 2.277 179.947 177.584 0.142 0.000 1.181 418 A CA 1.346 53.545 52.037 0.270 0.000 0.620 418 A CB -0.499 18.688 19.000 0.313 0.000 0.819 418 A HN 0.383 nan 8.150 nan 0.000 0.442 419 R N -1.090 119.452 120.500 0.071 0.000 2.307 419 R HA 0.049 4.388 4.340 -0.001 0.000 0.199 419 R C 1.321 177.613 176.300 -0.014 0.000 1.000 419 R CA 1.290 57.416 56.100 0.043 0.000 1.023 419 R CB -0.053 30.257 30.300 0.017 0.000 0.908 419 R HN 0.526 nan 8.270 nan 0.000 0.473 420 T N -1.265 113.200 114.554 -0.148 0.000 3.205 420 T HA 0.056 4.405 4.350 -0.001 0.000 0.238 420 T C 0.962 175.477 174.700 -0.308 0.000 0.974 420 T CA 0.499 62.367 62.100 -0.387 0.000 1.246 420 T CB -0.119 68.217 68.868 -0.888 0.000 1.007 420 T HN 0.092 nan 8.240 nan 0.000 0.414 421 Y N 1.677 122.020 120.300 0.073 0.000 2.448 421 Y HA 0.385 4.934 4.550 -0.001 0.000 0.289 421 Y C 2.005 177.882 175.900 -0.038 0.000 1.114 421 Y CA -0.052 58.070 58.100 0.036 0.000 1.235 421 Y CB -0.755 37.630 38.460 -0.125 0.000 1.045 421 Y HN 0.454 nan 8.280 nan 0.000 0.554 422 G N 0.826 109.662 108.800 0.061 0.000 2.582 422 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.288 422 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.288 422 G C 1.390 176.091 174.900 -0.331 0.000 1.247 422 G CA 1.132 46.082 45.100 -0.251 0.000 0.972 422 G HN 0.657 nan 8.290 nan 0.000 0.557 423 S N 0.162 115.600 115.700 -0.437 0.000 2.528 423 S HA -0.095 4.374 4.470 -0.001 0.000 0.244 423 S C 1.594 176.147 174.600 -0.078 0.000 0.982 423 S CA 1.880 59.948 58.200 -0.219 0.000 0.953 423 S CB -0.440 62.650 63.200 -0.183 0.000 0.754 423 S HN 0.710 nan 8.310 nan 0.000 0.529 424 N N 1.056 119.709 118.700 -0.079 0.000 2.515 424 N HA 0.119 4.858 4.740 -0.001 0.000 0.185 424 N C 1.442 176.835 175.510 -0.196 0.000 1.109 424 N CA 0.559 53.570 53.050 -0.066 0.000 0.903 424 N CB -0.105 38.415 38.487 0.055 0.000 0.969 424 N HN 0.313 nan 8.380 nan 0.000 0.450 425 S N 1.382 117.019 115.700 -0.106 0.000 2.374 425 S HA -0.259 4.211 4.470 -0.001 0.000 0.227 425 S C 1.884 176.319 174.600 -0.276 0.000 1.037 425 S CA 1.481 59.549 58.200 -0.219 0.000 1.024 425 S CB -0.318 62.914 63.200 0.053 0.000 0.861 425 S HN 0.638 nan 8.310 nan 0.000 0.456 426 E N 0.987 121.143 120.200 -0.074 0.000 2.204 426 E HA -0.101 4.248 4.350 -0.001 0.000 0.195 426 E C 2.019 178.555 176.600 -0.106 0.000 0.990 426 E CA 0.845 57.236 56.400 -0.015 0.000 0.821 426 E CB -0.383 29.388 29.700 0.119 0.000 0.750 426 E HN 0.444 nan 8.360 nan 0.000 0.477 427 L N 0.494 121.613 121.223 -0.175 0.000 2.156 427 L HA -0.028 4.312 4.340 -0.001 0.000 0.208 427 L C 2.566 179.274 176.870 -0.270 0.000 1.095 427 L CA 0.553 55.293 54.840 -0.165 0.000 0.770 427 L CB -0.076 41.907 42.059 -0.127 0.000 0.914 427 L HN 0.315 nan 8.230 nan 0.000 0.439 428 L N -0.583 120.245 121.223 -0.659 0.000 2.027 428 L HA -0.213 4.126 4.340 -0.001 0.000 0.206 428 L C 2.285 178.884 176.870 -0.452 0.000 1.074 428 L CA 1.375 55.721 54.840 -0.823 0.000 0.745 428 L CB -0.054 41.184 42.059 -1.367 0.000 0.898 428 L HN 0.185 nan 8.230 nan 0.000 0.433 429 L N -0.321 120.639 121.223 -0.439 0.000 2.376 429 L HA 0.043 4.382 4.340 -0.001 0.000 0.219 429 L C 1.814 178.608 176.870 -0.126 0.000 1.133 429 L CA 0.543 55.195 54.840 -0.313 0.000 0.816 429 L CB -1.050 40.688 42.059 -0.536 0.000 0.933 429 L HN 0.593 nan 8.230 nan 0.000 0.449 430 G N 1.766 110.516 108.800 -0.083 0.000 2.685 430 G HA2 -0.488 3.471 3.960 -0.001 0.000 0.329 430 G HA3 -0.488 3.471 3.960 -0.001 0.000 0.329 430 G C 0.527 175.457 174.900 0.050 0.000 1.271 430 G CA 0.852 45.949 45.100 -0.005 0.000 1.003 430 G HN 0.600 nan 8.290 nan 0.000 0.549 431 N N 1.595 120.315 118.700 0.033 0.000 2.276 431 N HA 0.564 5.303 4.740 -0.001 0.000 0.212 431 N C 0.566 176.093 175.510 0.028 0.000 1.127 431 N CA 1.043 54.120 53.050 0.045 0.000 0.834 431 N CB -0.011 38.487 38.487 0.019 0.000 1.014 431 N HN 1.110 nan 8.380 nan 0.000 0.491 432 A N -0.541 122.293 122.820 0.022 0.000 2.477 432 A HA 0.558 4.877 4.320 -0.001 0.000 0.246 432 A C 1.185 178.747 177.584 -0.037 0.000 1.078 432 A CA 0.150 52.145 52.037 -0.071 0.000 0.770 432 A CB 0.064 19.009 19.000 -0.092 0.000 1.011 432 A HN 0.441 nan 8.150 nan 0.000 0.494 433 G N 0.507 109.121 108.800 -0.311 0.000 3.215 433 G HA2 0.392 4.352 3.960 -0.001 0.000 0.236 433 G HA3 0.392 4.352 3.960 -0.001 0.000 0.236 433 G C 0.371 174.844 174.900 -0.712 0.000 1.029 433 G CA 0.826 45.767 45.100 -0.265 0.000 0.909 433 G HN 1.172 nan 8.290 nan 0.000 0.543 434 T N -2.958 111.017 114.554 -0.965 0.000 2.907 434 T HA 0.487 4.837 4.350 -0.001 0.000 0.290 434 T C 1.041 175.128 174.700 -1.022 0.000 1.066 434 T CA -0.345 61.215 62.100 -0.900 0.000 1.012 434 T CB 1.925 70.554 68.868 -0.398 0.000 1.184 434 T HN -0.141 nan 8.240 nan 0.000 0.522 435 V N 1.509 121.092 119.914 -0.552 0.000 2.392 435 V HA -0.171 3.948 4.120 -0.001 0.000 0.249 435 V C 3.048 178.895 176.094 -0.413 0.000 1.059 435 V CA 2.649 64.717 62.300 -0.388 0.000 1.051 435 V CB -0.929 30.778 31.823 -0.194 0.000 0.658 435 V HN 1.109 nan 8.190 nan 0.000 0.455 436 S N -0.453 115.064 115.700 -0.304 0.000 2.447 436 S HA -0.203 4.266 4.470 -0.001 0.000 0.233 436 S C 1.527 175.984 174.600 -0.239 0.000 1.006 436 S CA 1.364 59.426 58.200 -0.229 0.000 0.957 436 S CB -0.483 62.622 63.200 -0.158 0.000 0.773 436 S HN 0.583 nan 8.310 nan 0.000 0.507 437 D N 1.538 121.758 120.400 -0.299 0.000 2.351 437 D HA 0.039 4.679 4.640 -0.001 0.000 0.216 437 D C 1.535 177.688 176.300 -0.246 0.000 0.968 437 D CA 0.599 54.442 54.000 -0.261 0.000 0.899 437 D CB -0.211 40.400 40.800 -0.316 0.000 0.907 437 D HN 0.473 nan 8.370 nan 0.000 0.514 438 L N -0.811 120.217 121.223 -0.325 0.000 2.446 438 L HA 0.201 4.540 4.340 -0.001 0.000 0.219 438 L C 1.394 178.143 176.870 -0.203 0.000 1.116 438 L CA 0.256 54.905 54.840 -0.319 0.000 0.844 438 L CB -0.316 41.360 42.059 -0.637 0.000 0.970 438 L HN 0.076 nan 8.230 nan 0.000 0.457 439 G N 0.689 109.385 108.800 -0.173 0.000 2.627 439 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.214 439 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.214 439 G C -0.345 174.493 174.900 -0.104 0.000 1.331 439 G CA -0.463 44.570 45.100 -0.111 0.000 0.891 439 G HN 0.214 nan 8.290 nan 0.000 0.539 440 E N 0.041 120.113 120.200 -0.213 0.000 2.568 440 E HA 0.212 4.561 4.350 -0.001 0.000 0.262 440 E C -0.410 175.894 176.600 -0.492 0.000 0.961 440 E CA 0.396 56.565 56.400 -0.386 0.000 0.945 440 E CB 0.357 29.677 29.700 -0.633 0.000 0.924 440 E HN 0.488 nan 8.360 nan 0.000 0.467 441 D N 3.780 123.963 120.400 -0.362 0.000 2.280 441 D HA 0.078 4.717 4.640 -0.001 0.000 0.243 441 D C -0.318 175.701 176.300 -0.468 0.000 1.129 441 D CA -0.268 53.491 54.000 -0.400 0.000 0.848 441 D CB 0.398 41.062 40.800 -0.227 0.000 1.107 441 D HN 0.365 nan 8.370 nan 0.000 0.471 442 F N 2.020 121.859 119.950 -0.185 0.000 2.746 442 F HA 0.373 4.900 4.527 -0.001 0.000 0.297 442 F C 1.473 177.248 175.800 -0.041 0.000 1.113 442 F CA 0.738 58.703 58.000 -0.058 0.000 1.367 442 F CB 0.399 39.431 39.000 0.054 0.000 1.111 442 F HN 0.557 nan 8.300 nan 0.000 0.590 443 G N -1.754 107.061 108.800 0.025 0.000 2.379 443 G HA2 0.154 4.114 3.960 -0.001 0.000 0.609 443 G HA3 0.154 4.114 3.960 -0.001 0.000 0.609 443 G C -0.551 174.346 174.900 -0.005 0.000 1.484 443 G CA -0.655 44.446 45.100 0.002 0.000 0.921 443 G HN 0.244 nan 8.290 nan 0.000 0.658 444 H N 0.386 119.346 119.070 -0.183 0.000 2.776 444 H HA -0.203 4.353 4.556 -0.001 0.000 0.300 444 H C 1.130 176.253 175.328 -0.341 0.000 1.161 444 H CA 2.612 58.492 56.048 -0.279 0.000 1.147 444 H CB -1.303 28.272 29.762 -0.312 0.000 1.366 444 H HN 1.188 nan 8.280 nan 0.000 0.397 445 E N -2.548 117.371 120.200 -0.467 0.000 2.694 445 E HA -0.272 4.077 4.350 -0.001 0.000 0.272 445 E C -0.586 175.724 176.600 -0.483 0.000 1.040 445 E CA 0.723 56.748 56.400 -0.626 0.000 0.809 445 E CB -1.603 27.847 29.700 -0.416 0.000 1.389 445 E HN 0.410 nan 8.360 nan 0.000 0.413 446 F N 1.498 121.138 119.950 -0.516 0.000 2.303 446 F HA 0.371 4.897 4.527 -0.001 0.000 0.368 446 F C -0.366 175.334 175.800 -0.167 0.000 1.105 446 F CA -0.620 57.255 58.000 -0.207 0.000 1.153 446 F CB 0.267 39.210 39.000 -0.094 0.000 1.362 446 F HN -0.130 nan 8.300 nan 0.000 0.511 447 Y N 3.170 123.351 120.300 -0.199 0.000 2.432 447 Y HA 0.171 4.720 4.550 -0.001 0.000 0.322 447 Y C 1.728 177.431 175.900 -0.329 0.000 1.246 447 Y CA -0.400 57.559 58.100 -0.236 0.000 1.268 447 Y CB 0.906 39.269 38.460 -0.161 0.000 1.276 447 Y HN 0.610 nan 8.280 nan 0.000 0.499 448 E N 1.146 121.249 120.200 -0.161 0.000 2.219 448 E HA -0.284 4.066 4.350 -0.001 0.000 0.198 448 E C 1.815 178.258 176.600 -0.262 0.000 0.998 448 E CA 1.418 57.650 56.400 -0.280 0.000 0.818 448 E CB -0.040 29.479 29.700 -0.302 0.000 0.741 448 E HN 0.838 nan 8.360 nan 0.000 0.477 449 A N 0.854 123.585 122.820 -0.148 0.000 1.969 449 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 449 A C 2.016 179.500 177.584 -0.166 0.000 1.169 449 A CA 1.546 53.504 52.037 -0.132 0.000 0.635 449 A CB -0.431 18.497 19.000 -0.120 0.000 0.810 449 A HN 0.477 nan 8.150 nan 0.000 0.445 450 E N -0.745 119.330 120.200 -0.208 0.000 2.051 450 E HA -0.128 4.221 4.350 -0.001 0.000 0.189 450 E C 1.878 178.358 176.600 -0.199 0.000 0.979 450 E CA 0.994 57.259 56.400 -0.225 0.000 0.803 450 E CB -0.176 29.413 29.700 -0.184 0.000 0.761 450 E HN 0.386 nan 8.360 nan 0.000 0.451 451 L N 1.778 122.737 121.223 -0.439 0.000 2.027 451 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 451 L C 2.291 179.058 176.870 -0.171 0.000 1.074 451 L CA 1.952 56.557 54.840 -0.391 0.000 0.745 451 L CB -0.601 40.995 42.059 -0.772 0.000 0.898 451 L HN 0.028 nan 8.230 nan 0.000 0.433 452 K N -1.655 118.620 120.400 -0.208 0.000 2.032 452 K HA -0.302 4.017 4.320 -0.001 0.000 0.209 452 K C 2.329 178.968 176.600 0.064 0.000 1.048 452 K CA 2.077 58.359 56.287 -0.008 0.000 0.927 452 K CB -0.564 31.913 32.500 -0.039 0.000 0.712 452 K HN 0.413 nan 8.250 nan 0.000 0.441 453 Y N 1.390 121.643 120.300 -0.079 0.000 2.207 453 Y HA -0.203 4.346 4.550 -0.001 0.000 0.287 453 Y C 1.648 177.556 175.900 0.013 0.000 1.156 453 Y CA 1.512 59.591 58.100 -0.034 0.000 1.182 453 Y CB -0.066 38.291 38.460 -0.172 0.000 0.979 453 Y HN 0.052 nan 8.280 nan 0.000 0.521 454 L N -1.532 119.715 121.223 0.041 0.000 2.109 454 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 454 L C 2.307 179.172 176.870 -0.008 0.000 1.086 454 L CA 0.801 55.674 54.840 0.056 0.000 0.760 454 L CB -0.576 41.621 42.059 0.230 0.000 0.910 454 L HN 0.112 nan 8.230 nan 0.000 0.437 455 V N -0.243 119.703 119.914 0.053 0.000 2.323 455 V HA -0.240 3.879 4.120 -0.001 0.000 0.244 455 V C 2.014 178.049 176.094 -0.100 0.000 1.041 455 V CA 1.781 64.133 62.300 0.086 0.000 1.025 455 V CB -0.385 31.627 31.823 0.315 0.000 0.656 455 V HN 0.410 nan 8.190 nan 0.000 0.451 456 D N -1.098 119.189 120.400 -0.189 0.000 2.178 456 D HA -0.099 4.540 4.640 -0.001 0.000 0.202 456 D C 1.747 177.499 176.300 -0.915 0.000 0.974 456 D CA 1.319 55.016 54.000 -0.504 0.000 0.841 456 D CB -0.105 40.341 40.800 -0.589 0.000 0.953 456 D HN 0.524 nan 8.370 nan 0.000 0.478 457 H N -0.814 117.935 119.070 -0.535 0.000 3.233 457 H HA 0.275 4.830 4.556 -0.001 0.000 0.263 457 H C 0.388 175.327 175.328 -0.648 0.000 1.168 457 H CA 0.040 55.685 56.048 -0.672 0.000 1.159 457 H CB 1.190 30.457 29.762 -0.826 0.000 1.593 457 H HN 0.191 nan 8.280 nan 0.000 0.580 458 E N -0.087 119.900 120.200 -0.356 0.000 2.758 458 E HA 0.026 4.375 4.350 -0.001 0.000 0.215 458 E C -0.120 176.668 176.600 0.314 0.000 0.985 458 E CA -0.293 56.133 56.400 0.043 0.000 1.102 458 E CB 0.776 30.571 29.700 0.158 0.000 1.042 458 E HN 0.278 nan 8.360 nan 0.000 0.480 459 W N 0.501 121.799 121.300 -0.004 0.000 3.834 459 W HA -0.219 4.440 4.660 -0.001 0.000 0.320 459 W C -0.037 176.503 176.519 0.035 0.000 1.201 459 W CA 0.347 57.696 57.345 0.007 0.000 0.701 459 W CB -2.023 27.437 29.460 -0.000 0.000 2.264 459 W HN -0.072 nan 8.180 nan 0.000 1.413 460 V N 2.054 122.095 119.914 0.212 0.000 2.529 460 V HA 0.053 4.172 4.120 -0.001 0.000 0.292 460 V C 1.461 177.658 176.094 0.171 0.000 1.028 460 V CA 0.906 63.322 62.300 0.193 0.000 1.074 460 V CB 1.271 33.209 31.823 0.191 0.000 0.958 460 V HN 0.015 nan 8.190 nan 0.000 0.481 461 R N 3.276 123.870 120.500 0.157 0.000 2.470 461 R HA 0.320 4.659 4.340 -0.001 0.000 0.210 461 R C 0.369 176.744 176.300 0.126 0.000 0.873 461 R CA -0.040 56.139 56.100 0.132 0.000 1.015 461 R CB 0.570 30.937 30.300 0.112 0.000 1.348 461 R HN 0.460 nan 8.270 nan 0.000 0.650 462 R N -0.342 120.234 120.500 0.126 0.000 2.888 462 R HA 0.541 4.880 4.340 -0.001 0.000 0.266 462 R C 0.645 177.019 176.300 0.125 0.000 1.020 462 R CA -0.147 56.024 56.100 0.118 0.000 0.963 462 R CB 1.191 31.553 30.300 0.104 0.000 1.197 462 R HN -0.019 nan 8.270 nan 0.000 0.481 463 A N 0.982 123.868 122.820 0.111 0.000 1.883 463 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 463 A C 1.262 178.899 177.584 0.089 0.000 1.186 463 A CA 2.062 54.149 52.037 0.083 0.000 0.624 463 A CB -0.377 18.660 19.000 0.062 0.000 0.822 463 A HN 0.692 nan 8.150 nan 0.000 0.444 464 D N 0.267 120.760 120.400 0.156 0.000 2.133 464 D HA -0.138 4.501 4.640 -0.001 0.000 0.195 464 D C 1.420 177.854 176.300 0.223 0.000 0.997 464 D CA 1.478 55.640 54.000 0.269 0.000 0.840 464 D CB -0.411 40.550 40.800 0.268 0.000 0.947 464 D HN 0.452 nan 8.370 nan 0.000 0.452 465 D N 0.151 120.651 120.400 0.166 0.000 2.133 465 D HA -0.183 4.456 4.640 -0.001 0.000 0.192 465 D C 1.920 178.311 176.300 0.152 0.000 1.001 465 D CA 1.720 55.814 54.000 0.157 0.000 0.844 465 D CB -0.425 40.467 40.800 0.153 0.000 0.944 465 D HN 0.254 nan 8.370 nan 0.000 0.447 466 A N -0.111 122.787 122.820 0.130 0.000 1.898 466 A HA 0.057 4.376 4.320 -0.001 0.000 0.214 466 A C 2.243 179.816 177.584 -0.018 0.000 1.183 466 A CA 0.598 52.718 52.037 0.139 0.000 0.622 466 A CB -0.374 18.734 19.000 0.179 0.000 0.824 466 A HN 0.203 nan 8.150 nan 0.000 0.444 467 L N -3.680 117.445 121.223 -0.162 0.000 2.554 467 L HA 0.083 4.422 4.340 -0.001 0.000 0.225 467 L C 1.767 178.259 176.870 -0.631 0.000 1.104 467 L CA 0.240 54.774 54.840 -0.510 0.000 0.866 467 L CB -0.014 41.650 42.059 -0.659 0.000 1.047 467 L HN 0.615 nan 8.230 nan 0.000 0.468 468 W N -1.281 119.981 121.300 -0.063 0.000 2.661 468 W HA 0.197 4.856 4.660 -0.001 0.000 0.288 468 W C 2.426 178.949 176.519 0.007 0.000 1.014 468 W CA -0.471 56.837 57.345 -0.061 0.000 1.396 468 W CB 0.717 30.155 29.460 -0.036 0.000 0.963 468 W HN -0.200 nan 8.180 nan 0.000 0.584 469 R N -0.209 120.424 120.500 0.221 0.000 2.107 469 R HA 0.132 4.472 4.340 -0.001 0.000 0.195 469 R C 2.144 178.526 176.300 0.137 0.000 1.214 469 R CA 0.021 56.219 56.100 0.165 0.000 1.129 469 R CB -0.101 30.284 30.300 0.142 0.000 1.045 469 R HN -0.206 nan 8.270 nan 0.000 0.489 470 R N 0.804 121.393 120.500 0.148 0.000 2.189 470 R HA 0.010 4.349 4.340 -0.001 0.000 0.223 470 R C 1.006 177.389 176.300 0.139 0.000 1.092 470 R CA 1.186 57.387 56.100 0.168 0.000 0.989 470 R CB -0.337 30.109 30.300 0.243 0.000 0.876 470 R HN 0.413 nan 8.270 nan 0.000 0.457 471 T N -3.578 111.045 114.554 0.115 0.000 2.731 471 T HA 0.400 4.749 4.350 -0.001 0.000 0.300 471 T C -0.097 174.617 174.700 0.024 0.000 1.283 471 T CA -0.909 61.255 62.100 0.107 0.000 1.005 471 T CB 2.188 71.152 68.868 0.159 0.000 1.420 471 T HN -0.246 nan 8.240 nan 0.000 0.503 472 K N 0.508 120.915 120.400 0.011 0.000 2.618 472 K HA 0.204 4.523 4.320 -0.001 0.000 0.207 472 K C 1.361 177.784 176.600 -0.296 0.000 1.058 472 K CA -0.275 55.928 56.287 -0.141 0.000 1.086 472 K CB 0.653 33.129 32.500 -0.040 0.000 0.827 472 K HN 0.472 nan 8.250 nan 0.000 0.481 473 Q N 0.244 119.860 119.800 -0.307 0.000 2.234 473 Q HA -0.083 4.256 4.340 -0.001 0.000 0.206 473 Q C 1.114 176.764 176.000 -0.582 0.000 0.980 473 Q CA 0.727 56.333 55.803 -0.328 0.000 0.869 473 Q CB -0.275 28.090 28.738 -0.620 0.000 0.912 473 Q HN 0.384 nan 8.270 nan 0.000 0.436 477 L N 3.158 124.324 121.223 -0.096 0.000 2.326 477 L HA 0.197 4.537 4.340 -0.001 0.000 0.278 477 L C 0.987 177.830 176.870 -0.046 0.000 1.092 477 L CA 0.285 55.083 54.840 -0.070 0.000 0.810 477 L CB 0.286 42.266 42.059 -0.133 0.000 1.153 477 L HN 0.019 nan 8.230 nan 0.000 0.439 478 N N 2.183 120.880 118.700 -0.004 0.000 2.327 478 N HA 0.170 4.910 4.740 -0.001 0.000 0.257 478 N C 0.886 176.408 175.510 0.020 0.000 1.281 478 N CA -0.044 53.013 53.050 0.011 0.000 0.942 478 N CB 0.724 39.226 38.487 0.024 0.000 1.199 478 N HN 0.573 nan 8.380 nan 0.000 0.532 479 A N 0.237 123.078 122.820 0.034 0.000 1.908 479 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 479 A C 1.619 179.231 177.584 0.047 0.000 1.181 479 A CA 1.792 53.856 52.037 0.045 0.000 0.627 479 A CB -0.584 18.445 19.000 0.048 0.000 0.818 479 A HN 0.801 nan 8.150 nan 0.000 0.445 480 D N -0.860 119.568 120.400 0.047 0.000 2.234 480 D HA -0.066 4.573 4.640 -0.001 0.000 0.205 480 D C 2.117 178.456 176.300 0.066 0.000 0.962 480 D CA 0.944 54.977 54.000 0.055 0.000 0.855 480 D CB -0.359 40.472 40.800 0.051 0.000 0.951 480 D HN 0.616 nan 8.370 nan 0.000 0.500 481 Q N 0.455 120.290 119.800 0.059 0.000 2.124 481 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 481 Q C 2.105 178.140 176.000 0.058 0.000 0.977 481 Q CA 1.097 56.945 55.803 0.074 0.000 0.850 481 Q CB -0.010 28.761 28.738 0.056 0.000 0.901 481 Q HN 0.401 nan 8.270 nan 0.000 0.429 482 Q N -0.274 119.541 119.800 0.025 0.000 2.172 482 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 482 Q C 2.232 178.254 176.000 0.038 0.000 0.964 482 Q CA 1.448 57.255 55.803 0.005 0.000 0.855 482 Q CB 0.090 28.830 28.738 0.003 0.000 0.918 482 Q HN 0.367 nan 8.270 nan 0.000 0.444 483 S N 0.542 116.278 115.700 0.060 0.000 2.428 483 S HA -0.107 4.363 4.470 -0.001 0.000 0.230 483 S C 1.852 176.508 174.600 0.094 0.000 1.014 483 S CA 0.737 58.981 58.200 0.074 0.000 0.957 483 S CB -0.085 63.158 63.200 0.072 0.000 0.784 483 S HN 0.137 nan 8.310 nan 0.000 0.499 484 R N 1.923 122.491 120.500 0.113 0.000 2.081 484 R HA 0.045 4.384 4.340 -0.001 0.000 0.235 484 R C 1.994 178.388 176.300 0.156 0.000 1.131 484 R CA 1.774 57.978 56.100 0.173 0.000 0.960 484 R CB -1.463 28.975 30.300 0.231 0.000 0.856 484 R HN 0.325 nan 8.270 nan 0.000 0.436 485 V N 0.291 120.212 119.914 0.012 0.000 2.287 485 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 485 V C 2.151 178.266 176.094 0.034 0.000 1.053 485 V CA 2.316 64.508 62.300 -0.179 0.000 1.027 485 V CB -0.600 31.096 31.823 -0.212 0.000 0.646 485 V HN 0.416 nan 8.190 nan 0.000 0.447 486 S N -1.031 114.712 115.700 0.071 0.000 2.399 486 S HA -0.269 4.201 4.470 -0.001 0.000 0.231 486 S C 1.912 176.594 174.600 0.136 0.000 1.022 486 S CA 1.537 59.801 58.200 0.107 0.000 0.983 486 S CB -0.304 62.949 63.200 0.089 0.000 0.803 486 S HN 0.663 nan 8.310 nan 0.000 0.480 487 Q N -0.276 119.615 119.800 0.151 0.000 2.020 487 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 487 Q C 1.963 178.086 176.000 0.206 0.000 0.982 487 Q CA 1.564 57.461 55.803 0.157 0.000 0.838 487 Q CB -0.254 28.581 28.738 0.161 0.000 0.899 487 Q HN 0.708 nan 8.270 nan 0.000 0.423 488 W N 0.559 121.907 121.300 0.080 0.000 2.321 488 W HA -0.254 4.405 4.660 -0.001 0.000 0.306 488 W C 1.723 178.299 176.519 0.095 0.000 1.217 488 W CA 0.966 58.373 57.345 0.104 0.000 1.257 488 W CB -0.178 29.346 29.460 0.107 0.000 1.145 488 W HN 0.231 nan 8.180 nan 0.000 0.509 489 L N -0.166 121.281 121.223 0.372 0.000 2.093 489 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 489 L C 2.401 179.322 176.870 0.084 0.000 1.085 489 L CA 1.409 56.407 54.840 0.264 0.000 0.755 489 L CB -1.601 40.615 42.059 0.261 0.000 0.904 489 L HN -0.086 nan 8.230 nan 0.000 0.435 490 V N -0.408 119.548 119.914 0.069 0.000 2.255 490 V HA -0.325 3.794 4.120 -0.001 0.000 0.247 490 V C 2.437 178.506 176.094 -0.043 0.000 1.051 490 V CA 1.824 64.137 62.300 0.020 0.000 1.018 490 V CB -0.520 31.324 31.823 0.036 0.000 0.641 490 V HN 0.458 nan 8.190 nan 0.000 0.445 491 E N -1.027 119.127 120.200 -0.076 0.000 2.049 491 E HA -0.296 4.053 4.350 -0.001 0.000 0.198 491 E C 2.159 178.634 176.600 -0.209 0.000 1.007 491 E CA 2.155 58.469 56.400 -0.144 0.000 0.809 491 E CB -0.301 29.294 29.700 -0.174 0.000 0.749 491 E HN 0.709 nan 8.360 nan 0.000 0.450 492 Y N 1.230 121.202 120.300 -0.548 0.000 2.263 492 Y HA -0.116 4.433 4.550 -0.001 0.000 0.292 492 Y C 2.218 177.947 175.900 -0.286 0.000 1.130 492 Y CA 1.623 59.384 58.100 -0.564 0.000 1.179 492 Y CB -0.128 37.726 38.460 -1.010 0.000 0.998 492 Y HN -0.000 nan 8.280 nan 0.000 0.532 493 T N -1.135 113.314 114.554 -0.175 0.000 3.324 493 T HA 0.161 4.510 4.350 -0.001 0.000 0.250 493 T C 0.402 175.004 174.700 -0.163 0.000 1.059 493 T CA -0.292 61.696 62.100 -0.187 0.000 0.951 493 T CB -0.265 68.577 68.868 -0.043 0.000 1.030 493 T HN 0.030 nan 8.240 nan 0.000 0.576 494 Q N 0.000 119.692 119.800 -0.180 0.000 2.315 494 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 494 Q CA 0.000 55.728 55.803 -0.125 0.000 1.022 494 Q CB 0.000 28.684 28.738 -0.090 0.000 1.108 494 Q HN 0.000 nan 8.270 nan 0.000 0.481