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 1m22_1_A DATA FIRST_RESID 42 DATA SEQUENCE PFPYAETDVA DLQARMTAGE LDSTTLTQAY LQRIAALDRT GPRLRAVIEL DATA SEQUENCE NPDALKEAAE RDRERRDGRL RGPLHGIPLL LKDNINAAPM ATSAGSLALQ DATA SEQUENCE GFRPDDAYLV RRLRDAGAVV LGKTNLSEWA NFRGNDSISG WSARGGQTRN DATA SEQUENCE PYRISHSPCG SSSGSAVAVA ANLASVAIGT ETDGSIVCPA AINGVVGLKP DATA SEQUENCE TVGLVSRDGI IPISFSQDTA GPMARSVADA AAVLTAIAGR DDADPATATM DATA SEQUENCE PGRAVYDYTA RLDPQGLRGK RIGLLQTPLL KYRGMPPLIE QAATELRRAG DATA SEQUENCE AVVVPVELPN QGAWAEAERT LLLYEFKAGL ERYFNTHRAP LRSLADLIAF DATA SEQUENCE NQAHSKQELG LFGQELLVEA DATAGLADPA YIRARSDARR LAGPEGIDAA DATA SEQUENCE LAAHQLDALV APTTGVAWPI RSXXXDFPGE SYSAAAVAGY PSLTVPMGQI DATA SEQUENCE DGLPVGLLFM GTAWSEPKLI EMAYAYEQRT RARRPPHFDT 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 42 P HA 0.000 nan 4.420 nan 0.000 0.216 42 P C 0.000 177.323 177.300 0.038 0.000 1.155 42 P CA 0.000 63.115 63.100 0.026 0.000 0.800 42 P CB 0.000 31.700 31.700 -0.001 0.000 0.726 43 F N 6.042 125.941 119.950 -0.086 0.000 2.549 43 F HA 0.068 4.595 4.527 -0.001 0.000 0.400 43 F C -0.606 175.067 175.800 -0.211 0.000 1.011 43 F CA -1.018 56.907 58.000 -0.124 0.000 1.148 43 F CB 0.467 39.438 39.000 -0.048 0.000 0.993 43 F HN 0.213 nan 8.300 nan 0.000 0.540 44 P HA -0.214 nan 4.420 nan 0.000 0.226 44 P C 0.165 176.821 177.300 -1.073 0.000 1.146 44 P CA 1.693 64.236 63.100 -0.928 0.000 0.773 44 P CB -0.122 30.907 31.700 -1.119 0.000 0.772 45 Y N -0.873 118.956 120.300 -0.785 0.000 2.557 45 Y HA 0.498 5.048 4.550 -0.001 0.000 0.247 45 Y C 1.364 177.230 175.900 -0.057 0.000 1.164 45 Y CA -1.260 56.569 58.100 -0.452 0.000 1.218 45 Y CB -0.708 37.382 38.460 -0.618 0.000 1.210 45 Y HN -0.120 nan 8.280 nan 0.000 0.529 46 A N 1.136 124.054 122.820 0.164 0.000 2.546 46 A HA 0.207 4.527 4.320 -0.001 0.000 0.243 46 A C 0.954 178.659 177.584 0.200 0.000 1.063 46 A CA 0.148 52.391 52.037 0.343 0.000 0.757 46 A CB -0.025 19.157 19.000 0.303 0.000 0.991 46 A HN 0.490 nan 8.150 nan 0.000 0.503 47 E N 0.077 120.404 120.200 0.212 0.000 3.065 47 E HA -0.160 4.189 4.350 -0.001 0.000 0.277 47 E C -0.076 176.604 176.600 0.133 0.000 1.008 47 E CA 1.683 58.175 56.400 0.152 0.000 0.864 47 E CB -2.685 27.083 29.700 0.114 0.000 1.439 47 E HN 0.754 nan 8.360 nan 0.000 0.445 48 T N 2.252 116.901 114.554 0.158 0.000 2.749 48 T HA 0.201 4.550 4.350 -0.001 0.000 0.295 48 T C 0.287 175.065 174.700 0.130 0.000 0.936 48 T CA -0.592 61.587 62.100 0.131 0.000 1.060 48 T CB 1.148 70.102 68.868 0.143 0.000 0.904 48 T HN -0.050 nan 8.240 nan 0.000 0.500 49 D N 2.167 122.628 120.400 0.102 0.000 2.368 49 D HA 0.037 4.677 4.640 -0.001 0.000 0.240 49 D C 1.600 177.950 176.300 0.083 0.000 1.169 49 D CA -0.307 53.749 54.000 0.093 0.000 0.906 49 D CB 1.196 42.046 40.800 0.084 0.000 1.187 49 D HN 0.143 nan 8.370 nan 0.000 0.435 50 V N 1.814 121.773 119.914 0.074 0.000 2.287 50 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 50 V C 2.344 178.467 176.094 0.049 0.000 1.053 50 V CA 2.501 64.837 62.300 0.061 0.000 1.027 50 V CB -0.684 31.169 31.823 0.050 0.000 0.646 50 V HN 0.727 nan 8.190 nan 0.000 0.447 51 A N -0.535 122.312 122.820 0.045 0.000 1.972 51 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 51 A C 2.030 179.635 177.584 0.035 0.000 1.169 51 A CA 1.955 54.013 52.037 0.034 0.000 0.635 51 A CB -0.501 18.517 19.000 0.030 0.000 0.810 51 A HN 0.589 nan 8.150 nan 0.000 0.446 52 D N -0.053 120.373 120.400 0.044 0.000 2.123 52 D HA -0.055 4.584 4.640 -0.001 0.000 0.200 52 D C 2.001 178.325 176.300 0.040 0.000 0.976 52 D CA 0.938 54.963 54.000 0.043 0.000 0.831 52 D CB -0.214 40.617 40.800 0.052 0.000 0.974 52 D HN 0.443 nan 8.370 nan 0.000 0.469 53 L N 0.668 121.918 121.223 0.045 0.000 2.046 53 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 53 L C 2.600 179.480 176.870 0.016 0.000 1.077 53 L CA 0.942 55.798 54.840 0.026 0.000 0.747 53 L CB -0.298 41.776 42.059 0.025 0.000 0.896 53 L HN -0.017 nan 8.230 nan 0.000 0.432 54 Q N 0.285 120.100 119.800 0.025 0.000 2.084 54 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 54 Q C 2.191 178.198 176.000 0.012 0.000 0.978 54 Q CA 2.029 57.846 55.803 0.022 0.000 0.844 54 Q CB -0.262 28.492 28.738 0.027 0.000 0.898 54 Q HN 0.428 nan 8.270 nan 0.000 0.426 55 A N 0.426 123.253 122.820 0.013 0.000 1.902 55 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 55 A C 2.097 179.685 177.584 0.006 0.000 1.181 55 A CA 1.562 53.604 52.037 0.008 0.000 0.623 55 A CB -0.470 18.537 19.000 0.012 0.000 0.818 55 A HN 0.413 nan 8.150 nan 0.000 0.443 56 R N -1.020 119.487 120.500 0.011 0.000 2.081 56 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 56 R C 2.267 178.568 176.300 0.002 0.000 1.131 56 R CA 1.722 57.829 56.100 0.011 0.000 0.960 56 R CB -0.398 29.916 30.300 0.023 0.000 0.856 56 R HN 0.539 nan 8.270 nan 0.000 0.436 57 M N -0.252 119.346 119.600 -0.002 0.000 2.175 57 M HA -0.101 4.378 4.480 -0.001 0.000 0.264 57 M C 1.950 178.244 176.300 -0.011 0.000 1.063 57 M CA 1.532 56.828 55.300 -0.005 0.000 1.119 57 M CB -0.228 32.374 32.600 0.004 0.000 1.377 57 M HN 0.104 nan 8.290 nan 0.000 0.415 58 T N 0.633 115.179 114.554 -0.014 0.000 2.915 58 T HA -0.002 4.347 4.350 -0.001 0.000 0.269 58 T C 1.625 176.313 174.700 -0.020 0.000 1.071 58 T CA 1.319 63.404 62.100 -0.025 0.000 1.132 58 T CB -0.147 68.706 68.868 -0.025 0.000 0.878 58 T HN 0.472 nan 8.240 nan 0.000 0.479 59 A N 0.293 123.106 122.820 -0.012 0.000 2.251 59 A HA 0.546 4.865 4.320 -0.001 0.000 0.209 59 A C 1.882 179.461 177.584 -0.009 0.000 1.187 59 A CA 0.649 52.680 52.037 -0.009 0.000 0.823 59 A CB -0.595 18.402 19.000 -0.005 0.000 0.846 59 A HN 0.633 nan 8.150 nan 0.000 0.486 60 G N -0.450 108.344 108.800 -0.010 0.000 2.143 60 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.248 60 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.248 60 G C 0.370 175.267 174.900 -0.004 0.000 0.991 60 G CA 0.593 45.688 45.100 -0.008 0.000 0.689 60 G HN 0.611 nan 8.290 nan 0.000 0.522 61 E N -1.352 118.848 120.200 -0.001 0.000 2.474 61 E HA 0.427 4.776 4.350 -0.001 0.000 0.195 61 E C 0.385 176.992 176.600 0.012 0.000 1.039 61 E CA 0.191 56.593 56.400 0.005 0.000 0.881 61 E CB 0.604 30.308 29.700 0.006 0.000 0.970 61 E HN 0.466 nan 8.360 nan 0.000 0.486 62 L N 1.146 122.371 121.223 0.004 0.000 2.556 62 L HA 0.265 4.604 4.340 -0.001 0.000 0.257 62 L C -2.182 174.676 176.870 -0.019 0.000 0.955 62 L CA -0.678 54.159 54.840 -0.005 0.000 0.850 62 L CB 2.072 44.124 42.059 -0.011 0.000 1.398 62 L HN -0.113 nan 8.230 nan 0.000 0.412 63 D N 0.631 121.013 120.400 -0.030 0.000 2.477 63 D HA 0.412 5.052 4.640 -0.001 0.000 0.234 63 D C 0.368 176.644 176.300 -0.041 0.000 1.048 63 D CA -0.158 53.830 54.000 -0.020 0.000 0.959 63 D CB 1.572 42.368 40.800 -0.006 0.000 1.408 63 D HN 0.335 nan 8.370 nan 0.000 0.496 64 S N -0.668 115.024 115.700 -0.014 0.000 2.382 64 S HA -0.189 4.280 4.470 -0.001 0.000 0.228 64 S C 1.807 176.390 174.600 -0.028 0.000 1.027 64 S CA 2.250 60.438 58.200 -0.021 0.000 0.991 64 S CB -0.912 62.288 63.200 0.002 0.000 0.823 64 S HN 0.690 nan 8.310 nan 0.000 0.469 65 T N -1.373 113.171 114.554 -0.017 0.000 2.788 65 T HA -0.079 4.270 4.350 -0.001 0.000 0.268 65 T C 1.870 176.558 174.700 -0.019 0.000 1.044 65 T CA 1.880 63.973 62.100 -0.011 0.000 1.139 65 T CB -1.245 67.621 68.868 -0.003 0.000 0.867 65 T HN 0.360 nan 8.240 nan 0.000 0.454 66 T N 2.213 116.746 114.554 -0.035 0.000 2.737 66 T HA 0.048 4.397 4.350 -0.001 0.000 0.265 66 T C 1.794 176.430 174.700 -0.106 0.000 1.038 66 T CA 1.211 63.288 62.100 -0.038 0.000 1.144 66 T CB -0.538 68.316 68.868 -0.023 0.000 0.866 66 T HN 0.213 nan 8.240 nan 0.000 0.434 67 L N 1.118 122.206 121.223 -0.225 0.000 2.017 67 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 67 L C 2.510 179.272 176.870 -0.181 0.000 1.073 67 L CA 1.891 56.465 54.840 -0.444 0.000 0.745 67 L CB -1.291 40.515 42.059 -0.421 0.000 0.894 67 L HN 0.187 nan 8.230 nan 0.000 0.432 68 T N -0.600 113.947 114.554 -0.013 0.000 2.708 68 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 68 T C 1.800 176.561 174.700 0.101 0.000 1.037 68 T CA 1.786 63.948 62.100 0.104 0.000 1.146 68 T CB -0.200 68.701 68.868 0.055 0.000 0.865 68 T HN 0.487 nan 8.240 nan 0.000 0.435 69 Q N 0.435 120.264 119.800 0.047 0.000 2.167 69 Q HA 0.032 4.371 4.340 -0.001 0.000 0.202 69 Q C 2.703 178.755 176.000 0.087 0.000 0.970 69 Q CA 1.152 56.989 55.803 0.057 0.000 0.855 69 Q CB -0.275 28.484 28.738 0.035 0.000 0.911 69 Q HN 0.551 nan 8.270 nan 0.000 0.438 70 A N 0.340 123.209 122.820 0.080 0.000 1.898 70 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 70 A C 1.658 179.396 177.584 0.257 0.000 1.181 70 A CA 1.160 53.304 52.037 0.178 0.000 0.620 70 A CB -0.699 18.415 19.000 0.190 0.000 0.819 70 A HN 0.313 nan 8.150 nan 0.000 0.442 71 Y N 0.092 120.541 120.300 0.249 0.000 2.200 71 Y HA -0.091 4.459 4.550 -0.001 0.000 0.290 71 Y C 2.210 178.129 175.900 0.031 0.000 1.137 71 Y CA 1.122 59.310 58.100 0.146 0.000 1.163 71 Y CB -0.604 37.916 38.460 0.100 0.000 0.988 71 Y HN 0.176 nan 8.280 nan 0.000 0.518 72 L N -0.405 120.933 121.223 0.192 0.000 2.083 72 L HA -0.273 4.067 4.340 -0.001 0.000 0.209 72 L C 2.558 179.458 176.870 0.049 0.000 1.083 72 L CA 1.692 56.585 54.840 0.089 0.000 0.752 72 L CB -0.542 41.556 42.059 0.065 0.000 0.899 72 L HN 0.266 nan 8.230 nan 0.000 0.433 73 Q N 0.221 120.058 119.800 0.062 0.000 2.119 73 Q HA -0.238 4.101 4.340 -0.001 0.000 0.201 73 Q C 2.365 178.354 176.000 -0.017 0.000 0.972 73 Q CA 1.382 57.202 55.803 0.029 0.000 0.847 73 Q CB 0.072 28.842 28.738 0.053 0.000 0.903 73 Q HN 0.316 nan 8.270 nan 0.000 0.433 74 R N 0.040 120.519 120.500 -0.036 0.000 2.092 74 R HA -0.072 4.267 4.340 -0.001 0.000 0.231 74 R C 2.153 178.361 176.300 -0.153 0.000 1.119 74 R CA 1.183 57.180 56.100 -0.173 0.000 0.970 74 R CB -0.146 29.921 30.300 -0.388 0.000 0.864 74 R HN 0.334 nan 8.270 nan 0.000 0.440 75 I N 0.569 121.092 120.570 -0.078 0.000 2.226 75 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 75 I C 2.464 178.536 176.117 -0.076 0.000 1.100 75 I CA 1.292 62.547 61.300 -0.074 0.000 1.374 75 I CB -0.342 37.638 38.000 -0.034 0.000 1.057 75 I HN 0.287 nan 8.210 nan 0.000 0.413 76 A N 0.544 123.331 122.820 -0.056 0.000 1.933 76 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 76 A C 2.454 179.996 177.584 -0.071 0.000 1.175 76 A CA 1.800 53.807 52.037 -0.050 0.000 0.628 76 A CB -0.632 18.350 19.000 -0.031 0.000 0.814 76 A HN 0.441 nan 8.150 nan 0.000 0.444 77 A N -1.262 121.500 122.820 -0.098 0.000 2.021 77 A HA 0.335 4.654 4.320 -0.001 0.000 0.216 77 A C 1.918 179.397 177.584 -0.175 0.000 1.163 77 A CA 1.150 53.114 52.037 -0.122 0.000 0.676 77 A CB -0.187 18.735 19.000 -0.130 0.000 0.818 77 A HN 0.437 nan 8.150 nan 0.000 0.453 78 L N -2.436 118.656 121.223 -0.219 0.000 2.685 78 L HA 0.186 4.525 4.340 -0.001 0.000 0.235 78 L C 1.756 178.519 176.870 -0.178 0.000 1.070 78 L CA 0.679 55.344 54.840 -0.291 0.000 0.888 78 L CB 0.150 41.899 42.059 -0.517 0.000 1.203 78 L HN 0.246 nan 8.230 nan 0.000 0.499 79 D N 0.132 120.455 120.400 -0.128 0.000 2.259 79 D HA -0.078 4.561 4.640 -0.001 0.000 0.216 79 D C 2.255 178.524 176.300 -0.052 0.000 0.961 79 D CA 0.706 54.660 54.000 -0.077 0.000 0.878 79 D CB 0.507 41.266 40.800 -0.068 0.000 1.009 79 D HN -0.043 nan 8.370 nan 0.000 0.490 80 R N -0.635 119.833 120.500 -0.053 0.000 2.156 80 R HA 0.097 4.437 4.340 -0.001 0.000 0.207 80 R C 0.458 176.739 176.300 -0.031 0.000 1.040 80 R CA 1.111 57.189 56.100 -0.036 0.000 1.013 80 R CB 0.181 30.461 30.300 -0.033 0.000 0.931 80 R HN 0.280 nan 8.270 nan 0.000 0.465 81 T N -4.402 110.125 114.554 -0.045 0.000 2.676 81 T HA 0.648 4.997 4.350 -0.001 0.000 0.269 81 T C 0.908 175.577 174.700 -0.050 0.000 0.952 81 T CA -0.338 61.740 62.100 -0.038 0.000 1.040 81 T CB 1.157 70.002 68.868 -0.037 0.000 1.352 81 T HN 0.272 nan 8.240 nan 0.000 0.554 82 G N 1.716 110.491 108.800 -0.041 0.000 2.622 82 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.307 82 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.307 82 G C -1.070 173.820 174.900 -0.017 0.000 1.226 82 G CA 0.404 45.479 45.100 -0.042 0.000 0.997 82 G HN 0.894 nan 8.290 nan 0.000 0.551 83 P HA -0.010 nan 4.420 nan 0.000 0.228 83 P C 0.455 177.774 177.300 0.033 0.000 1.151 83 P CA 1.219 64.345 63.100 0.043 0.000 0.770 83 P CB -0.095 31.676 31.700 0.118 0.000 0.786 84 R N -0.591 119.908 120.500 -0.002 0.000 3.146 84 R HA -0.133 4.206 4.340 -0.001 0.000 0.250 84 R C 1.078 177.389 176.300 0.018 0.000 0.912 84 R CA -0.225 55.876 56.100 0.002 0.000 0.633 84 R CB -2.326 27.984 30.300 0.017 0.000 1.180 84 R HN 0.286 nan 8.270 nan 0.000 0.464 85 L N 0.315 121.544 121.223 0.010 0.000 2.191 85 L HA -0.089 4.250 4.340 -0.001 0.000 0.212 85 L C 1.263 178.143 176.870 0.017 0.000 1.103 85 L CA 0.908 55.766 54.840 0.031 0.000 0.769 85 L CB -0.259 41.820 42.059 0.035 0.000 0.908 85 L HN 0.422 nan 8.230 nan 0.000 0.438 86 R N -0.945 119.554 120.500 -0.003 0.000 3.416 86 R HA -0.242 4.097 4.340 -0.001 0.000 0.263 86 R C 1.145 177.434 176.300 -0.018 0.000 1.053 86 R CA 0.330 56.423 56.100 -0.012 0.000 0.705 86 R CB -1.977 28.323 30.300 -0.001 0.000 1.124 86 R HN 0.484 nan 8.270 nan 0.000 0.444 87 A N 0.032 122.840 122.820 -0.020 0.000 2.021 87 A HA 0.104 4.423 4.320 -0.001 0.000 0.216 87 A C 1.010 178.570 177.584 -0.039 0.000 1.163 87 A CA 0.709 52.732 52.037 -0.023 0.000 0.676 87 A CB 0.656 19.646 19.000 -0.016 0.000 0.818 87 A HN 0.096 nan 8.150 nan 0.000 0.453 88 V N 1.000 120.887 119.914 -0.044 0.000 2.350 88 V HA 0.220 4.340 4.120 -0.001 0.000 0.276 88 V C 1.092 177.154 176.094 -0.054 0.000 1.028 88 V CA -0.186 62.084 62.300 -0.050 0.000 0.860 88 V CB 1.147 32.941 31.823 -0.049 0.000 0.990 88 V HN 0.522 nan 8.190 nan 0.000 0.453 89 I N 2.758 123.290 120.570 -0.063 0.000 2.852 89 I HA 0.234 4.403 4.170 -0.001 0.000 0.264 89 I C 0.861 176.941 176.117 -0.062 0.000 1.179 89 I CA 0.932 62.189 61.300 -0.071 0.000 1.480 89 I CB 0.485 38.430 38.000 -0.092 0.000 1.111 89 I HN 0.739 nan 8.210 nan 0.000 0.441 90 E N 0.532 120.698 120.200 -0.056 0.000 2.347 90 E HA 0.326 4.676 4.350 -0.001 0.000 0.285 90 E C -1.452 175.122 176.600 -0.045 0.000 0.925 90 E CA -0.618 55.753 56.400 -0.049 0.000 0.779 90 E CB 1.536 31.205 29.700 -0.052 0.000 1.233 90 E HN 0.087 nan 8.360 nan 0.000 0.414 91 L N 2.747 123.948 121.223 -0.037 0.000 2.399 91 L HA 0.368 4.708 4.340 -0.001 0.000 0.266 91 L C 0.345 177.195 176.870 -0.032 0.000 1.114 91 L CA -0.820 54.001 54.840 -0.032 0.000 0.804 91 L CB 0.780 42.825 42.059 -0.023 0.000 1.146 91 L HN 0.478 nan 8.230 nan 0.000 0.451 92 N N 3.573 122.254 118.700 -0.032 0.000 2.411 92 N HA 0.146 4.886 4.740 -0.001 0.000 0.259 92 N C -1.590 173.905 175.510 -0.025 0.000 1.103 92 N CA -1.922 51.108 53.050 -0.032 0.000 0.954 92 N CB 1.062 39.528 38.487 -0.035 0.000 1.085 92 N HN 0.288 nan 8.380 nan 0.000 0.485 93 P HA -0.056 nan 4.420 nan 0.000 0.225 93 P C -0.374 176.916 177.300 -0.017 0.000 1.148 93 P CA 1.008 64.096 63.100 -0.019 0.000 0.779 93 P CB 0.472 32.160 31.700 -0.019 0.000 0.780 94 D N -0.680 119.708 120.400 -0.022 0.000 2.342 94 D HA 0.199 4.838 4.640 -0.001 0.000 0.221 94 D C 1.811 178.099 176.300 -0.021 0.000 1.101 94 D CA 0.064 54.052 54.000 -0.021 0.000 0.837 94 D CB 0.060 40.845 40.800 -0.025 0.000 0.938 94 D HN 0.071 nan 8.370 nan 0.000 0.508 95 A N 0.883 123.692 122.820 -0.018 0.000 1.865 95 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 95 A C 2.052 179.630 177.584 -0.009 0.000 1.191 95 A CA 1.029 53.057 52.037 -0.014 0.000 0.623 95 A CB -0.557 18.439 19.000 -0.007 0.000 0.826 95 A HN 0.286 nan 8.150 nan 0.000 0.444 96 L N -0.045 121.175 121.223 -0.004 0.000 2.083 96 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 96 L C 2.312 179.177 176.870 -0.007 0.000 1.083 96 L CA 2.640 57.479 54.840 -0.002 0.000 0.752 96 L CB -0.573 41.487 42.059 0.001 0.000 0.899 96 L HN 0.500 nan 8.230 nan 0.000 0.433 97 K N -0.481 119.912 120.400 -0.011 0.000 2.026 97 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 97 K C 1.953 178.542 176.600 -0.018 0.000 1.048 97 K CA 1.905 58.184 56.287 -0.013 0.000 0.929 97 K CB -0.143 32.349 32.500 -0.014 0.000 0.713 97 K HN 0.482 nan 8.250 nan 0.000 0.439 98 E N -0.050 120.135 120.200 -0.025 0.000 2.051 98 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 98 E C 2.009 178.584 176.600 -0.041 0.000 0.991 98 E CA 1.121 57.499 56.400 -0.038 0.000 0.799 98 E CB -0.149 29.525 29.700 -0.044 0.000 0.748 98 E HN 0.454 nan 8.360 nan 0.000 0.449 99 A N 1.447 124.249 122.820 -0.029 0.000 1.908 99 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 99 A C 2.386 179.963 177.584 -0.012 0.000 1.181 99 A CA 1.799 53.822 52.037 -0.024 0.000 0.627 99 A CB -0.677 18.317 19.000 -0.010 0.000 0.818 99 A HN 0.304 nan 8.150 nan 0.000 0.445 100 A N -0.646 122.169 122.820 -0.008 0.000 1.972 100 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 100 A C 1.964 179.550 177.584 0.004 0.000 1.169 100 A CA 2.085 54.122 52.037 0.000 0.000 0.635 100 A CB -0.390 18.610 19.000 -0.001 0.000 0.810 100 A HN 0.515 nan 8.150 nan 0.000 0.446 101 E N 0.040 120.237 120.200 -0.005 0.000 2.107 101 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 101 E C 2.167 178.775 176.600 0.014 0.000 0.982 101 E CA 0.946 57.346 56.400 -0.001 0.000 0.809 101 E CB -0.126 29.564 29.700 -0.015 0.000 0.756 101 E HN 0.392 nan 8.360 nan 0.000 0.459 102 R N 0.820 121.312 120.500 -0.013 0.000 2.096 102 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 102 R C 1.620 178.034 176.300 0.190 0.000 1.127 102 R CA 1.354 57.455 56.100 0.002 0.000 0.968 102 R CB -0.684 29.506 30.300 -0.183 0.000 0.861 102 R HN 0.305 nan 8.270 nan 0.000 0.440 103 D N 0.342 120.796 120.400 0.091 0.000 2.144 103 D HA -0.074 4.565 4.640 -0.001 0.000 0.200 103 D C 2.042 178.379 176.300 0.060 0.000 0.978 103 D CA 0.822 54.869 54.000 0.077 0.000 0.833 103 D CB -0.101 40.721 40.800 0.036 0.000 0.961 103 D HN 0.176 nan 8.370 nan 0.000 0.470 104 R N 0.648 121.177 120.500 0.048 0.000 2.081 104 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 104 R C 2.177 178.502 176.300 0.042 0.000 1.131 104 R CA 0.978 57.098 56.100 0.033 0.000 0.960 104 R CB -0.080 30.234 30.300 0.023 0.000 0.856 104 R HN 0.325 nan 8.270 nan 0.000 0.436 105 E N 0.042 120.288 120.200 0.078 0.000 2.077 105 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 105 E C 2.093 178.709 176.600 0.027 0.000 0.989 105 E CA 0.906 57.357 56.400 0.084 0.000 0.800 105 E CB -0.101 29.708 29.700 0.182 0.000 0.746 105 E HN 0.226 nan 8.360 nan 0.000 0.452 106 R N 1.194 121.710 120.500 0.025 0.000 2.073 106 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 106 R C 2.210 178.480 176.300 -0.051 0.000 1.134 106 R CA 1.339 57.383 56.100 -0.093 0.000 0.952 106 R CB 0.017 30.275 30.300 -0.070 0.000 0.850 106 R HN 0.047 nan 8.270 nan 0.000 0.433 107 R N -0.153 120.337 120.500 -0.015 0.000 2.193 107 R HA -0.124 4.215 4.340 -0.001 0.000 0.229 107 R C 1.292 177.583 176.300 -0.015 0.000 1.110 107 R CA 1.411 57.502 56.100 -0.014 0.000 0.988 107 R CB -0.208 30.090 30.300 -0.003 0.000 0.871 107 R HN 0.309 nan 8.270 nan 0.000 0.458 108 D N -0.710 119.683 120.400 -0.012 0.000 2.339 108 D HA 0.038 4.678 4.640 -0.001 0.000 0.217 108 D C 0.670 176.958 176.300 -0.021 0.000 1.050 108 D CA 0.706 54.700 54.000 -0.011 0.000 0.856 108 D CB 0.325 41.125 40.800 -0.000 0.000 0.922 108 D HN 0.305 nan 8.370 nan 0.000 0.518 109 G N 1.235 110.012 108.800 -0.038 0.000 2.182 109 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.248 109 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.248 109 G C 0.237 175.106 174.900 -0.051 0.000 1.042 109 G CA -0.099 44.972 45.100 -0.049 0.000 0.775 109 G HN 0.387 nan 8.290 nan 0.000 0.501 110 R N -0.093 120.375 120.500 -0.054 0.000 3.057 110 R HA 0.412 4.752 4.340 -0.001 0.000 0.291 110 R C 0.582 176.848 176.300 -0.056 0.000 1.394 110 R CA -0.552 55.529 56.100 -0.030 0.000 1.630 110 R CB 0.524 30.830 30.300 0.010 0.000 1.268 110 R HN 0.332 nan 8.270 nan 0.000 0.621 111 L N 1.098 122.232 121.223 -0.148 0.000 2.417 111 L HA 0.249 4.588 4.340 -0.001 0.000 0.268 111 L C 1.445 178.320 176.870 0.008 0.000 1.158 111 L CA -0.010 54.668 54.840 -0.270 0.000 0.819 111 L CB 0.846 42.739 42.059 -0.277 0.000 1.112 111 L HN 0.339 nan 8.230 nan 0.000 0.458 112 R N 1.197 121.853 120.500 0.260 0.000 2.290 112 R HA 0.306 4.645 4.340 -0.001 0.000 0.197 112 R C 0.531 176.897 176.300 0.109 0.000 0.913 112 R CA 0.284 56.502 56.100 0.195 0.000 1.040 112 R CB 0.564 30.990 30.300 0.211 0.000 0.992 112 R HN 0.925 nan 8.270 nan 0.000 0.500 113 G N -0.158 108.703 108.800 0.102 0.000 2.340 113 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.282 113 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.282 113 G C -2.384 172.554 174.900 0.063 0.000 1.312 113 G CA -1.052 44.081 45.100 0.055 0.000 0.942 113 G HN -0.237 nan 8.290 nan 0.000 0.495 114 P HA 0.046 nan 4.420 nan 0.000 0.218 114 P C 1.581 178.911 177.300 0.049 0.000 1.146 114 P CA 0.991 64.112 63.100 0.036 0.000 0.813 114 P CB 0.048 31.762 31.700 0.023 0.000 0.778 115 L N -3.011 118.244 121.223 0.053 0.000 2.667 115 L HA 0.145 4.484 4.340 -0.001 0.000 0.232 115 L C 0.777 177.676 176.870 0.048 0.000 1.138 115 L CA -0.472 54.392 54.840 0.040 0.000 0.921 115 L CB -0.889 41.179 42.059 0.015 0.000 1.180 115 L HN 0.022 nan 8.230 nan 0.000 0.487 116 H N 0.838 119.903 119.070 -0.007 0.000 3.145 116 H HA 0.179 4.735 4.556 -0.001 0.000 0.288 116 H C 1.309 176.631 175.328 -0.011 0.000 0.969 116 H CA 1.155 57.197 56.048 -0.010 0.000 1.444 116 H CB 0.320 30.075 29.762 -0.011 0.000 1.500 116 H HN 0.343 nan 8.280 nan 0.000 0.552 117 G N 4.712 113.439 108.800 -0.122 0.000 2.179 117 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.260 117 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.260 117 G C 0.092 174.987 174.900 -0.008 0.000 0.977 117 G CA 0.083 45.163 45.100 -0.032 0.000 0.641 117 G HN 0.558 nan 8.290 nan 0.000 0.533 118 I N 1.993 122.560 120.570 -0.005 0.000 2.396 118 I HA 0.272 4.441 4.170 -0.001 0.000 0.289 118 I C -2.060 174.056 176.117 -0.002 0.000 1.056 118 I CA -2.523 58.785 61.300 0.014 0.000 1.365 118 I CB 0.720 38.730 38.000 0.018 0.000 1.407 118 I HN -0.110 nan 8.210 nan 0.000 0.509 119 P HA 0.378 nan 4.420 nan 0.000 0.286 119 P C -0.951 176.283 177.300 -0.109 0.000 1.269 119 P CA -0.328 62.760 63.100 -0.020 0.000 0.787 119 P CB 1.122 32.864 31.700 0.071 0.000 0.920 120 L N 1.331 122.492 121.223 -0.104 0.000 2.341 120 L HA 0.716 5.056 4.340 -0.001 0.000 0.254 120 L C -1.386 175.420 176.870 -0.107 0.000 1.040 120 L CA -0.933 53.837 54.840 -0.117 0.000 0.837 120 L CB 0.839 42.853 42.059 -0.074 0.000 1.425 120 L HN 0.082 nan 8.230 nan 0.000 0.414 121 L N 1.127 122.289 121.223 -0.100 0.000 2.333 121 L HA 0.705 5.044 4.340 -0.001 0.000 0.269 121 L C -1.055 175.779 176.870 -0.061 0.000 1.010 121 L CA -0.625 54.165 54.840 -0.082 0.000 0.818 121 L CB 2.117 44.122 42.059 -0.090 0.000 1.306 121 L HN 0.529 nan 8.230 nan 0.000 0.430 122 L N 2.055 123.245 121.223 -0.054 0.000 2.362 122 L HA 0.462 4.801 4.340 -0.001 0.000 0.275 122 L C -0.161 176.683 176.870 -0.044 0.000 0.998 122 L CA -0.717 54.097 54.840 -0.044 0.000 0.820 122 L CB 1.913 43.946 42.059 -0.042 0.000 1.270 122 L HN 0.504 nan 8.230 nan 0.000 0.415 123 K N 1.174 121.551 120.400 -0.037 0.000 2.524 123 K HA -0.106 4.213 4.320 -0.001 0.000 0.279 123 K C 0.395 176.966 176.600 -0.049 0.000 0.993 123 K CA 0.022 56.285 56.287 -0.040 0.000 1.030 123 K CB 0.575 33.059 32.500 -0.028 0.000 0.891 123 K HN 0.539 nan 8.250 nan 0.000 0.488 124 D N 2.217 122.578 120.400 -0.066 0.000 2.355 124 D HA -0.058 4.581 4.640 -0.001 0.000 0.253 124 D C 0.251 176.499 176.300 -0.086 0.000 1.187 124 D CA 0.358 54.310 54.000 -0.080 0.000 0.900 124 D CB -0.099 40.640 40.800 -0.102 0.000 0.915 124 D HN 0.557 nan 8.370 nan 0.000 0.516 125 N N -0.340 118.320 118.700 -0.066 0.000 2.184 125 N HA 0.050 4.790 4.740 -0.001 0.000 0.206 125 N C -0.085 175.408 175.510 -0.028 0.000 1.151 125 N CA -0.181 52.830 53.050 -0.065 0.000 0.878 125 N CB 0.049 38.502 38.487 -0.058 0.000 1.014 125 N HN 0.139 nan 8.380 nan 0.000 0.512 126 I N 1.464 122.023 120.570 -0.018 0.000 2.321 126 I HA 0.193 4.362 4.170 -0.001 0.000 0.291 126 I C -0.471 175.639 176.117 -0.011 0.000 0.998 126 I CA -0.873 60.429 61.300 0.003 0.000 1.227 126 I CB 0.734 38.733 38.000 -0.001 0.000 1.368 126 I HN -0.159 nan 8.210 nan 0.000 0.466 127 N N 5.551 124.249 118.700 -0.002 0.000 2.454 127 N HA 0.364 5.103 4.740 -0.001 0.000 0.260 127 N C -0.402 175.069 175.510 -0.064 0.000 1.218 127 N CA 0.117 53.130 53.050 -0.062 0.000 0.904 127 N CB 1.021 39.439 38.487 -0.115 0.000 1.065 127 N HN 0.744 nan 8.380 nan 0.000 0.462 128 A N 0.864 123.630 122.820 -0.090 0.000 2.541 128 A HA 0.640 4.960 4.320 -0.001 0.000 0.285 128 A C -0.313 177.218 177.584 -0.088 0.000 1.058 128 A CA -0.776 51.216 52.037 -0.075 0.000 0.886 128 A CB 0.303 19.267 19.000 -0.061 0.000 1.411 128 A HN 0.693 nan 8.150 nan 0.000 0.403 129 A N 3.716 126.486 122.820 -0.083 0.000 2.425 129 A HA 0.694 5.013 4.320 -0.001 0.000 0.242 129 A C -1.399 176.147 177.584 -0.064 0.000 1.077 129 A CA -0.878 51.111 52.037 -0.080 0.000 0.781 129 A CB 0.006 18.965 19.000 -0.068 0.000 1.020 129 A HN 0.586 nan 8.150 nan 0.000 0.494 130 P HA 0.154 nan 4.420 nan 0.000 0.263 130 P C -0.087 177.172 177.300 -0.069 0.000 1.448 130 P CA 0.160 63.223 63.100 -0.062 0.000 0.983 130 P CB 0.037 31.710 31.700 -0.045 0.000 1.481 131 M N 0.174 119.730 119.600 -0.074 0.000 2.197 131 M HA 0.468 4.948 4.480 -0.001 0.000 0.305 131 M C 0.868 177.108 176.300 -0.100 0.000 1.162 131 M CA -0.626 54.629 55.300 -0.074 0.000 1.099 131 M CB 0.622 33.181 32.600 -0.067 0.000 1.430 131 M HN -0.136 nan 8.290 nan 0.000 0.481 132 A N 0.307 123.077 122.820 -0.084 0.000 2.287 132 A HA 0.602 4.922 4.320 -0.001 0.000 0.273 132 A C -0.386 177.143 177.584 -0.091 0.000 1.091 132 A CA -0.413 51.568 52.037 -0.093 0.000 0.817 132 A CB 0.338 19.315 19.000 -0.040 0.000 1.069 132 A HN 0.743 nan 8.150 nan 0.000 0.492 133 T N 1.080 115.589 114.554 -0.074 0.000 2.991 133 T HA 0.371 4.721 4.350 -0.001 0.000 0.347 133 T C 0.812 175.566 174.700 0.090 0.000 1.122 133 T CA 0.226 62.315 62.100 -0.018 0.000 1.062 133 T CB 0.779 69.635 68.868 -0.021 0.000 1.043 133 T HN 0.856 nan 8.240 nan 0.000 0.491 134 S N 1.469 117.150 115.700 -0.033 0.000 2.511 134 S HA 0.437 4.906 4.470 -0.001 0.000 0.214 134 S C 1.753 176.137 174.600 -0.361 0.000 0.997 134 S CA 0.314 58.445 58.200 -0.116 0.000 0.908 134 S CB -0.047 63.071 63.200 -0.138 0.000 0.803 134 S HN 1.240 nan 8.310 nan 0.000 0.504 135 A N 0.576 123.192 122.820 -0.341 0.000 2.861 135 A HA 0.053 4.373 4.320 -0.001 0.000 0.261 135 A C 1.849 179.090 177.584 -0.571 0.000 1.351 135 A CA 1.207 52.943 52.037 -0.501 0.000 0.904 135 A CB -2.358 16.117 19.000 -0.874 0.000 1.076 135 A HN 2.233 nan 8.150 nan 0.000 0.729 136 G N -2.444 106.109 108.800 -0.412 0.000 2.176 136 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.253 136 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.253 136 G C 0.566 175.230 174.900 -0.393 0.000 0.979 136 G CA 1.355 46.232 45.100 -0.372 0.000 0.641 136 G HN 2.339 nan 8.290 nan 0.000 0.530 137 S N -0.462 114.954 115.700 -0.473 0.000 2.586 137 S HA 0.622 5.092 4.470 -0.001 0.000 0.274 137 S C 1.738 176.237 174.600 -0.169 0.000 1.281 137 S CA -0.349 57.681 58.200 -0.285 0.000 1.035 137 S CB 0.925 63.968 63.200 -0.262 0.000 0.962 137 S HN 0.377 nan 8.310 nan 0.000 0.512 138 L N 3.715 124.907 121.223 -0.051 0.000 2.376 138 L HA 0.017 4.356 4.340 -0.001 0.000 0.219 138 L C 2.642 179.403 176.870 -0.182 0.000 1.133 138 L CA 1.006 55.841 54.840 -0.008 0.000 0.816 138 L CB -0.649 41.512 42.059 0.171 0.000 0.933 138 L HN 0.859 nan 8.230 nan 0.000 0.449 139 A N -0.050 122.425 122.820 -0.575 0.000 2.015 139 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 139 A C 1.828 179.154 177.584 -0.430 0.000 1.163 139 A CA 1.125 52.513 52.037 -1.083 0.000 0.646 139 A CB -0.258 18.011 19.000 -1.218 0.000 0.806 139 A HN 0.443 nan 8.150 nan 0.000 0.448 140 L N -0.165 120.934 121.223 -0.207 0.000 3.066 140 L HA 0.075 4.414 4.340 -0.001 0.000 0.265 140 L C 1.907 178.797 176.870 0.034 0.000 1.232 140 L CA 0.250 55.069 54.840 -0.035 0.000 1.031 140 L CB 0.030 42.128 42.059 0.065 0.000 1.379 140 L HN 0.615 nan 8.230 nan 0.000 0.563 141 Q N 0.179 119.964 119.800 -0.025 0.000 2.291 141 Q HA -0.092 4.247 4.340 -0.001 0.000 0.206 141 Q C 1.478 177.493 176.000 0.026 0.000 0.976 141 Q CA 1.617 57.416 55.803 -0.006 0.000 0.875 141 Q CB -0.169 28.563 28.738 -0.009 0.000 0.927 141 Q HN 0.381 nan 8.270 nan 0.000 0.450 142 G N 0.170 109.004 108.800 0.057 0.000 3.453 142 G HA2 0.148 4.107 3.960 -0.001 0.000 0.263 142 G HA3 0.148 4.107 3.960 -0.001 0.000 0.263 142 G C -0.867 174.110 174.900 0.129 0.000 1.060 142 G CA -0.570 44.570 45.100 0.067 0.000 0.793 142 G HN 0.280 nan 8.290 nan 0.000 0.532 143 F N 2.275 122.212 119.950 -0.022 0.000 2.390 143 F HA 0.575 5.101 4.527 -0.001 0.000 0.361 143 F C 0.350 176.151 175.800 0.003 0.000 1.124 143 F CA -1.743 56.256 58.000 -0.002 0.000 1.149 143 F CB 0.674 39.684 39.000 0.016 0.000 1.160 143 F HN -0.108 nan 8.300 nan 0.000 0.501 144 R N 7.342 127.621 120.500 -0.368 0.000 2.587 144 R HA 0.286 4.625 4.340 -0.001 0.000 0.283 144 R C -2.519 173.510 176.300 -0.451 0.000 1.472 144 R CA -1.628 54.243 56.100 -0.381 0.000 1.578 144 R CB 0.361 30.562 30.300 -0.165 0.000 1.130 144 R HN 0.449 nan 8.270 nan 0.000 0.602 145 P HA 0.057 nan 4.420 nan 0.000 0.274 145 P C -0.540 176.621 177.300 -0.233 0.000 1.246 145 P CA -0.251 62.572 63.100 -0.461 0.000 0.795 145 P CB 0.917 32.249 31.700 -0.612 0.000 1.006 146 D N 0.378 120.712 120.400 -0.110 0.000 2.361 146 D HA 0.052 4.692 4.640 -0.001 0.000 0.239 146 D C -0.049 176.220 176.300 -0.052 0.000 1.200 146 D CA 0.240 54.207 54.000 -0.056 0.000 0.915 146 D CB 0.228 41.028 40.800 -0.000 0.000 1.170 146 D HN 0.319 nan 8.370 nan 0.000 0.444 147 D N 0.043 120.422 120.400 -0.035 0.000 2.571 147 D HA 0.182 4.821 4.640 -0.001 0.000 0.231 147 D C 0.175 176.484 176.300 0.015 0.000 1.133 147 D CA 0.262 54.248 54.000 -0.025 0.000 0.862 147 D CB 0.352 41.134 40.800 -0.029 0.000 1.179 147 D HN 0.306 nan 8.370 nan 0.000 0.474 148 A N 2.662 125.494 122.820 0.020 0.000 2.366 148 A HA 0.052 4.371 4.320 -0.001 0.000 0.249 148 A C 0.967 178.614 177.584 0.104 0.000 1.084 148 A CA -0.339 51.748 52.037 0.084 0.000 0.794 148 A CB 0.047 19.095 19.000 0.079 0.000 1.034 148 A HN 0.689 nan 8.150 nan 0.000 0.491 149 Y N 1.682 122.013 120.300 0.052 0.000 2.114 149 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 149 Y C 1.946 177.868 175.900 0.036 0.000 1.165 149 Y CA 2.830 60.957 58.100 0.045 0.000 1.148 149 Y CB -0.390 38.103 38.460 0.055 0.000 0.972 149 Y HN 0.627 nan 8.280 nan 0.000 0.504 150 L N -1.816 119.453 121.223 0.077 0.000 2.191 150 L HA -0.050 4.290 4.340 -0.001 0.000 0.212 150 L C 1.906 178.732 176.870 -0.074 0.000 1.103 150 L CA 1.503 56.337 54.840 -0.011 0.000 0.769 150 L CB -1.528 40.578 42.059 0.077 0.000 0.908 150 L HN 0.045 nan 8.230 nan 0.000 0.438 151 V N 0.083 119.965 119.914 -0.054 0.000 2.453 151 V HA -0.108 4.011 4.120 -0.001 0.000 0.247 151 V C 2.861 178.896 176.094 -0.098 0.000 1.048 151 V CA 1.651 63.914 62.300 -0.061 0.000 1.049 151 V CB -0.675 31.124 31.823 -0.040 0.000 0.672 151 V HN 0.471 nan 8.190 nan 0.000 0.457 152 R N 0.003 120.420 120.500 -0.138 0.000 2.096 152 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 152 R C 2.519 178.701 176.300 -0.196 0.000 1.127 152 R CA 1.314 57.318 56.100 -0.160 0.000 0.968 152 R CB -0.348 29.841 30.300 -0.185 0.000 0.861 152 R HN 0.482 nan 8.270 nan 0.000 0.440 153 R N 0.581 120.913 120.500 -0.280 0.000 2.075 153 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 153 R C 2.402 178.634 176.300 -0.113 0.000 1.126 153 R CA 1.105 57.074 56.100 -0.218 0.000 0.963 153 R CB -0.360 29.797 30.300 -0.238 0.000 0.858 153 R HN 0.200 nan 8.270 nan 0.000 0.435 154 L N 0.107 121.274 121.223 -0.094 0.000 2.046 154 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 154 L C 2.608 179.436 176.870 -0.069 0.000 1.077 154 L CA 1.417 56.219 54.840 -0.063 0.000 0.747 154 L CB -0.304 41.724 42.059 -0.053 0.000 0.896 154 L HN 0.141 nan 8.230 nan 0.000 0.432 155 R N -0.255 120.198 120.500 -0.078 0.000 2.092 155 R HA -0.133 4.206 4.340 -0.001 0.000 0.231 155 R C 1.853 178.107 176.300 -0.077 0.000 1.119 155 R CA 1.276 57.329 56.100 -0.079 0.000 0.970 155 R CB -0.255 30.001 30.300 -0.073 0.000 0.864 155 R HN 0.363 nan 8.270 nan 0.000 0.440 156 D N 0.563 120.919 120.400 -0.073 0.000 2.178 156 D HA -0.104 4.535 4.640 -0.001 0.000 0.202 156 D C 1.492 177.768 176.300 -0.039 0.000 0.974 156 D CA 1.199 55.166 54.000 -0.055 0.000 0.841 156 D CB -0.023 40.742 40.800 -0.058 0.000 0.953 156 D HN 0.233 nan 8.370 nan 0.000 0.478 157 A N -0.194 122.601 122.820 -0.042 0.000 2.206 157 A HA 0.331 4.651 4.320 -0.001 0.000 0.211 157 A C 1.810 179.374 177.584 -0.034 0.000 1.158 157 A CA 1.274 53.300 52.037 -0.019 0.000 0.761 157 A CB -0.162 18.830 19.000 -0.014 0.000 0.801 157 A HN 0.276 nan 8.150 nan 0.000 0.473 158 G N -2.287 106.454 108.800 -0.098 0.000 2.176 158 G HA2 0.111 4.070 3.960 -0.001 0.000 0.232 158 G HA3 0.111 4.070 3.960 -0.001 0.000 0.232 158 G C 0.441 175.221 174.900 -0.199 0.000 0.986 158 G CA 0.232 45.192 45.100 -0.233 0.000 0.643 158 G HN 1.550 nan 8.290 nan 0.000 0.522 159 A N -0.349 122.405 122.820 -0.109 0.000 2.425 159 A HA 0.661 4.980 4.320 -0.001 0.000 0.242 159 A C 0.506 178.038 177.584 -0.087 0.000 1.077 159 A CA 0.465 52.453 52.037 -0.082 0.000 0.781 159 A CB 0.954 19.921 19.000 -0.055 0.000 1.020 159 A HN 1.154 nan 8.150 nan 0.000 0.494 160 V N 2.890 122.762 119.914 -0.069 0.000 2.370 160 V HA 0.255 4.374 4.120 -0.001 0.000 0.283 160 V C -0.059 176.005 176.094 -0.051 0.000 1.023 160 V CA -0.489 61.776 62.300 -0.058 0.000 0.857 160 V CB 1.447 33.246 31.823 -0.040 0.000 0.985 160 V HN 0.594 nan 8.190 nan 0.000 0.443 161 V N 7.048 126.931 119.914 -0.051 0.000 2.389 161 V HA 0.185 4.304 4.120 -0.001 0.000 0.264 161 V C 1.109 177.176 176.094 -0.045 0.000 1.049 161 V CA 0.041 62.310 62.300 -0.052 0.000 0.932 161 V CB 0.975 32.767 31.823 -0.052 0.000 1.011 161 V HN 0.760 nan 8.190 nan 0.000 0.475 162 L N 4.099 125.292 121.223 -0.051 0.000 2.179 162 L HA 0.331 4.670 4.340 -0.001 0.000 0.208 162 L C 1.248 178.093 176.870 -0.042 0.000 1.096 162 L CA 1.317 56.133 54.840 -0.040 0.000 0.779 162 L CB -0.117 41.908 42.059 -0.056 0.000 0.922 162 L HN 0.881 nan 8.230 nan 0.000 0.443 163 G N -1.130 107.639 108.800 -0.052 0.000 2.344 163 G HA2 0.140 4.100 3.960 -0.001 0.000 0.282 163 G HA3 0.140 4.100 3.960 -0.001 0.000 0.282 163 G C -1.751 173.115 174.900 -0.057 0.000 1.281 163 G CA -0.800 44.270 45.100 -0.051 0.000 0.877 163 G HN -0.248 nan 8.290 nan 0.000 0.494 164 K N 0.706 121.072 120.400 -0.057 0.000 2.203 164 K HA 0.730 5.050 4.320 -0.001 0.000 0.251 164 K C -0.135 176.428 176.600 -0.061 0.000 0.944 164 K CA -0.479 55.772 56.287 -0.060 0.000 0.829 164 K CB 1.646 34.107 32.500 -0.064 0.000 1.125 164 K HN 0.936 nan 8.250 nan 0.000 0.430 165 T N -1.192 113.326 114.554 -0.060 0.000 2.895 165 T HA 0.288 4.637 4.350 -0.001 0.000 0.283 165 T C 0.327 174.987 174.700 -0.065 0.000 1.014 165 T CA -0.833 61.233 62.100 -0.058 0.000 1.037 165 T CB 1.314 70.153 68.868 -0.048 0.000 1.006 165 T HN 0.394 nan 8.240 nan 0.000 0.468 166 N N 0.965 119.626 118.700 -0.066 0.000 2.415 166 N HA 0.485 5.224 4.740 -0.001 0.000 0.248 166 N C -0.517 174.955 175.510 -0.064 0.000 1.271 166 N CA -0.501 52.500 53.050 -0.082 0.000 0.913 166 N CB -0.021 38.418 38.487 -0.081 0.000 1.129 166 N HN 0.841 nan 8.380 nan 0.000 0.444 167 L N -2.193 118.983 121.223 -0.077 0.000 2.568 167 L HA 0.619 4.958 4.340 -0.001 0.000 0.257 167 L C -0.719 176.136 176.870 -0.024 0.000 1.024 167 L CA -1.149 53.667 54.840 -0.040 0.000 0.854 167 L CB 1.353 43.385 42.059 -0.046 0.000 1.460 167 L HN 0.237 nan 8.230 nan 0.000 0.409 168 S N 0.765 116.491 115.700 0.044 0.000 2.546 168 S HA 0.033 4.503 4.470 -0.001 0.000 0.290 168 S C 0.057 174.716 174.600 0.098 0.000 1.290 168 S CA -0.072 58.202 58.200 0.123 0.000 1.069 168 S CB 0.182 63.471 63.200 0.149 0.000 0.846 168 S HN 0.680 nan 8.310 nan 0.000 0.495 169 E N 1.268 121.544 120.200 0.127 0.000 2.608 169 E HA -0.120 4.229 4.350 -0.001 0.000 0.259 169 E C -0.504 176.202 176.600 0.177 0.000 0.951 169 E CA 0.266 56.679 56.400 0.022 0.000 0.945 169 E CB 0.135 29.901 29.700 0.110 0.000 0.916 169 E HN 0.716 nan 8.360 nan 0.000 0.477 170 W N 2.014 123.383 121.300 0.114 0.000 4.849 170 W HA -0.344 4.315 4.660 -0.001 0.000 0.358 170 W C 0.848 177.442 176.519 0.124 0.000 1.331 170 W CA 0.298 57.727 57.345 0.140 0.000 0.844 170 W CB -2.164 27.411 29.460 0.193 0.000 2.434 170 W HN 0.810 nan 8.180 nan 0.000 1.458 171 A N -0.169 122.764 122.820 0.187 0.000 2.783 171 A HA -0.309 4.011 4.320 -0.001 0.000 0.292 171 A C 1.158 178.852 177.584 0.184 0.000 1.495 171 A CA 2.085 54.209 52.037 0.146 0.000 0.787 171 A CB -1.699 17.376 19.000 0.124 0.000 1.017 171 A HN 1.532 nan 8.150 nan 0.000 0.516 172 N N -3.593 115.236 118.700 0.215 0.000 2.741 172 N HA -0.220 4.519 4.740 -0.001 0.000 0.250 172 N C -0.321 175.307 175.510 0.197 0.000 1.115 172 N CA 1.796 54.962 53.050 0.194 0.000 0.724 172 N CB -1.817 36.747 38.487 0.129 0.000 1.090 172 N HN 1.249 nan 8.380 nan 0.000 0.558 173 F N 0.021 119.986 119.950 0.025 0.000 2.893 173 F HA 0.464 4.990 4.527 -0.001 0.000 0.340 173 F C 1.375 177.056 175.800 -0.198 0.000 1.300 173 F CA -0.509 57.382 58.000 -0.182 0.000 1.227 173 F CB 0.142 38.874 39.000 -0.447 0.000 1.044 173 F HN 0.135 nan 8.300 nan 0.000 0.512 174 R N -0.569 119.920 120.500 -0.019 0.000 2.144 174 R HA 0.455 4.794 4.340 -0.001 0.000 0.195 174 R C 0.691 177.002 176.300 0.019 0.000 1.077 174 R CA 0.716 56.850 56.100 0.057 0.000 1.120 174 R CB 0.384 30.905 30.300 0.369 0.000 1.060 174 R HN 0.454 nan 8.270 nan 0.000 0.520 175 G N -0.022 108.864 108.800 0.144 0.000 2.727 175 G HA2 0.316 4.276 3.960 -0.001 0.000 0.289 175 G HA3 0.316 4.276 3.960 -0.001 0.000 0.289 175 G C -1.563 173.352 174.900 0.024 0.000 1.418 175 G CA -0.773 44.404 45.100 0.129 0.000 0.818 175 G HN 0.097 nan 8.290 nan 0.000 0.486 176 N N 0.886 119.591 118.700 0.008 0.000 2.483 176 N HA 0.258 4.998 4.740 -0.001 0.000 0.269 176 N C -0.471 174.982 175.510 -0.095 0.000 1.209 176 N CA -0.134 52.878 53.050 -0.064 0.000 0.969 176 N CB 0.720 39.178 38.487 -0.049 0.000 1.173 176 N HN 0.548 nan 8.380 nan 0.000 0.475 177 D N -1.078 119.227 120.400 -0.158 0.000 2.751 177 D HA -0.151 4.488 4.640 -0.001 0.000 0.233 177 D C -0.236 175.810 176.300 -0.423 0.000 1.149 177 D CA 0.670 54.550 54.000 -0.201 0.000 0.682 177 D CB -1.510 39.228 40.800 -0.103 0.000 1.068 177 D HN 0.578 nan 8.370 nan 0.000 0.429 178 S N -0.786 114.524 115.700 -0.650 0.000 2.600 178 S HA 0.468 4.937 4.470 -0.001 0.000 0.265 178 S C 0.598 174.766 174.600 -0.721 0.000 1.325 178 S CA -0.646 56.729 58.200 -1.375 0.000 1.002 178 S CB 1.604 64.256 63.200 -0.915 0.000 0.921 178 S HN 0.274 nan 8.310 nan 0.000 0.554 179 I N 1.931 122.130 120.570 -0.617 0.000 2.330 179 I HA 0.194 4.364 4.170 -0.001 0.000 0.289 179 I C 0.159 176.344 176.117 0.112 0.000 1.001 179 I CA -0.447 60.804 61.300 -0.082 0.000 1.193 179 I CB 1.469 39.496 38.000 0.046 0.000 1.345 179 I HN 0.589 nan 8.210 nan 0.000 0.461 180 S N 4.348 120.138 115.700 0.151 0.000 2.552 180 S HA 0.236 4.705 4.470 -0.001 0.000 0.289 180 S C 1.175 175.881 174.600 0.177 0.000 1.304 180 S CA 0.676 58.984 58.200 0.179 0.000 1.063 180 S CB 0.802 64.151 63.200 0.249 0.000 0.848 180 S HN 1.109 nan 8.310 nan 0.000 0.499 181 G N 1.937 110.832 108.800 0.158 0.000 2.159 181 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.256 181 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.256 181 G C -0.295 174.712 174.900 0.178 0.000 0.977 181 G CA 0.159 45.334 45.100 0.126 0.000 0.652 181 G HN 0.720 nan 8.290 nan 0.000 0.531 182 W N 1.745 123.103 121.300 0.098 0.000 2.551 182 W HA 0.693 5.353 4.660 -0.000 0.000 0.330 182 W C 0.344 176.946 176.519 0.137 0.000 1.063 182 W CA -0.098 57.323 57.345 0.126 0.000 1.222 182 W CB 1.726 31.301 29.460 0.192 0.000 1.349 182 W HN 0.737 nan 8.180 nan 0.000 0.536 183 S N 3.413 118.383 115.700 -1.217 0.000 2.556 183 S HA 0.670 5.139 4.470 -0.001 0.000 0.271 183 S C 0.130 173.710 174.600 -1.700 0.000 1.135 183 S CA -0.334 57.106 58.200 -1.267 0.000 0.858 183 S CB 1.406 64.276 63.200 -0.549 0.000 1.114 183 S HN 1.048 nan 8.310 nan 0.000 0.468 184 A N 1.572 123.678 122.820 -1.190 0.000 1.930 184 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 184 A C 2.115 179.522 177.584 -0.294 0.000 1.175 184 A CA 1.550 53.273 52.037 -0.524 0.000 0.627 184 A CB -0.679 18.264 19.000 -0.096 0.000 0.815 184 A HN 0.898 nan 8.150 nan 0.000 0.443 185 R N -0.989 119.336 120.500 -0.291 0.000 2.127 185 R HA 0.001 4.340 4.340 -0.001 0.000 0.217 185 R C 1.859 178.050 176.300 -0.183 0.000 1.074 185 R CA 1.179 57.170 56.100 -0.182 0.000 0.991 185 R CB -0.286 29.917 30.300 -0.162 0.000 0.895 185 R HN 0.432 nan 8.270 nan 0.000 0.450 186 G N -0.855 107.789 108.800 -0.259 0.000 3.020 186 G HA2 0.357 4.317 3.960 -0.001 0.000 0.217 186 G HA3 0.357 4.317 3.960 -0.001 0.000 0.217 186 G C 0.475 175.264 174.900 -0.185 0.000 1.144 186 G CA 0.254 45.237 45.100 -0.196 0.000 0.760 186 G HN 0.651 nan 8.290 nan 0.000 0.548 187 G N 0.025 108.654 108.800 -0.285 0.000 2.562 187 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.250 187 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.250 187 G C -0.248 174.592 174.900 -0.100 0.000 1.269 187 G CA 0.158 45.168 45.100 -0.149 0.000 0.919 187 G HN 0.770 nan 8.290 nan 0.000 0.574 188 Q N 0.414 120.289 119.800 0.125 0.000 2.340 188 Q HA 0.639 4.978 4.340 -0.001 0.000 0.259 188 Q C 0.309 176.366 176.000 0.095 0.000 0.964 188 Q CA 0.165 56.083 55.803 0.191 0.000 0.900 188 Q CB 0.819 29.721 28.738 0.273 0.000 1.228 188 Q HN 0.711 nan 8.270 nan 0.000 0.449 189 T N 4.477 119.072 114.554 0.068 0.000 2.907 189 T HA 0.452 4.802 4.350 -0.001 0.000 0.298 189 T C -0.221 174.509 174.700 0.050 0.000 1.017 189 T CA -0.275 61.850 62.100 0.041 0.000 1.118 189 T CB 0.466 69.347 68.868 0.021 0.000 0.948 189 T HN 0.497 nan 8.240 nan 0.000 0.531 190 R N 2.186 122.714 120.500 0.047 0.000 2.711 190 R HA 0.358 4.697 4.340 -0.001 0.000 0.284 190 R C -0.064 176.267 176.300 0.051 0.000 0.968 190 R CA -0.993 55.137 56.100 0.050 0.000 0.924 190 R CB 1.004 31.343 30.300 0.066 0.000 1.162 190 R HN 0.475 nan 8.270 nan 0.000 0.465 191 N N 3.685 122.411 118.700 0.043 0.000 2.452 191 N HA 0.027 4.766 4.740 -0.001 0.000 0.266 191 N C -1.648 173.908 175.510 0.076 0.000 1.175 191 N CA -1.443 51.647 53.050 0.067 0.000 0.945 191 N CB 1.097 39.615 38.487 0.053 0.000 1.063 191 N HN 0.362 nan 8.380 nan 0.000 0.472 192 P HA -0.103 nan 4.420 nan 0.000 0.226 192 P C 0.563 177.661 177.300 -0.337 0.000 1.153 192 P CA 1.103 64.157 63.100 -0.078 0.000 0.777 192 P CB 0.043 31.700 31.700 -0.073 0.000 0.794 193 Y N 0.089 120.306 120.300 -0.138 0.000 2.457 193 Y HA 0.103 4.652 4.550 -0.001 0.000 0.292 193 Y C 1.563 177.374 175.900 -0.149 0.000 1.125 193 Y CA 0.698 58.703 58.100 -0.159 0.000 1.254 193 Y CB 0.231 38.623 38.460 -0.112 0.000 1.012 193 Y HN -0.130 nan 8.280 nan 0.000 0.555 194 R N 0.300 120.799 120.500 -0.001 0.000 3.090 194 R HA 0.154 4.493 4.340 -0.001 0.000 0.279 194 R C 0.013 176.324 176.300 0.019 0.000 1.462 194 R CA -0.165 55.899 56.100 -0.060 0.000 1.044 194 R CB 0.009 30.161 30.300 -0.246 0.000 1.365 194 R HN 0.177 nan 8.270 nan 0.000 0.399 195 I N 0.739 121.336 120.570 0.045 0.000 2.800 195 I HA -0.101 4.069 4.170 -0.001 0.000 0.266 195 I C 1.428 177.608 176.117 0.105 0.000 1.249 195 I CA 1.570 62.918 61.300 0.080 0.000 1.458 195 I CB -0.076 37.976 38.000 0.088 0.000 1.093 195 I HN 0.445 nan 8.210 nan 0.000 0.466 196 S N -1.347 114.445 115.700 0.154 0.000 2.528 196 S HA 0.105 4.574 4.470 -0.001 0.000 0.219 196 S C 0.805 175.536 174.600 0.219 0.000 0.985 196 S CA -0.125 58.192 58.200 0.195 0.000 0.914 196 S CB -0.880 62.468 63.200 0.248 0.000 0.776 196 S HN 0.614 nan 8.310 nan 0.000 0.526 197 H N 0.906 119.959 119.070 -0.028 0.000 2.544 197 H HA 0.465 5.021 4.556 -0.001 0.000 0.342 197 H C -0.238 174.966 175.328 -0.206 0.000 1.185 197 H CA -0.741 55.242 56.048 -0.108 0.000 1.264 197 H CB 1.458 31.169 29.762 -0.084 0.000 1.607 197 H HN 0.199 nan 8.280 nan 0.000 0.550 198 S N 1.701 117.168 115.700 -0.389 0.000 2.564 198 S HA 0.033 4.502 4.470 -0.001 0.000 0.278 198 S C -1.561 172.796 174.600 -0.404 0.000 1.333 198 S CA -1.240 56.632 58.200 -0.547 0.000 1.048 198 S CB 0.510 62.930 63.200 -1.300 0.000 0.900 198 S HN 0.558 nan 8.310 nan 0.000 0.505 199 P HA 0.188 nan 4.420 nan 0.000 0.261 199 P C 0.691 177.927 177.300 -0.107 0.000 1.268 199 P CA -0.018 63.017 63.100 -0.109 0.000 0.833 199 P CB -0.771 30.912 31.700 -0.028 0.000 1.231 200 C N -1.598 117.599 119.300 -0.172 0.000 0.168 200 C HA 0.066 4.526 4.460 -0.001 0.000 0.017 200 C C 0.877 175.905 174.990 0.062 0.000 0.171 200 C CA 0.566 59.593 59.018 0.015 0.000 0.499 200 C CB -1.265 26.517 27.740 0.070 0.000 3.212 200 C HN 0.610 nan 8.230 nan 0.000 1.118 201 G N -1.347 107.503 108.800 0.082 0.000 2.489 201 G HA2 0.616 4.576 3.960 -0.001 0.000 0.305 201 G HA3 0.616 4.576 3.960 -0.001 0.000 0.305 201 G C 0.227 175.151 174.900 0.041 0.000 1.311 201 G CA 0.627 45.763 45.100 0.060 0.000 0.813 201 G HN 2.136 nan 8.290 nan 0.000 0.480 202 S N -1.180 114.543 115.700 0.037 0.000 2.593 202 S HA 0.152 4.622 4.470 -0.001 0.000 0.217 202 S C 1.064 175.679 174.600 0.025 0.000 0.966 202 S CA 0.920 59.149 58.200 0.049 0.000 0.914 202 S CB 0.253 63.492 63.200 0.066 0.000 0.776 202 S HN 0.492 nan 8.310 nan 0.000 0.523 203 S N 2.427 118.133 115.700 0.010 0.000 3.149 203 S HA 0.292 4.762 4.470 -0.001 0.000 0.228 203 S C 1.101 175.701 174.600 0.000 0.000 1.393 203 S CA -0.387 57.812 58.200 -0.001 0.000 1.224 203 S CB -0.094 63.102 63.200 -0.008 0.000 1.112 203 S HN 0.524 nan 8.310 nan 0.000 0.502 204 S N 2.162 117.866 115.700 0.007 0.000 2.351 204 S HA -0.122 4.348 4.470 -0.001 0.000 0.220 204 S C 2.323 176.924 174.600 0.003 0.000 1.035 204 S CA 1.440 59.645 58.200 0.009 0.000 1.031 204 S CB -0.784 62.427 63.200 0.018 0.000 0.928 204 S HN 0.712 nan 8.310 nan 0.000 0.433 205 G N 1.038 109.833 108.800 -0.009 0.000 2.422 205 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 205 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 205 G C 1.562 176.452 174.900 -0.016 0.000 1.146 205 G CA 1.104 46.194 45.100 -0.015 0.000 0.769 205 G HN 0.508 nan 8.290 nan 0.000 0.547 206 S N 0.825 116.515 115.700 -0.017 0.000 2.368 206 S HA 0.025 4.494 4.470 -0.001 0.000 0.224 206 S C 2.789 177.387 174.600 -0.004 0.000 1.029 206 S CA 1.158 59.347 58.200 -0.019 0.000 0.988 206 S CB -0.310 62.878 63.200 -0.019 0.000 0.838 206 S HN 0.577 nan 8.310 nan 0.000 0.462 207 A N 1.023 123.848 122.820 0.007 0.000 1.873 207 A HA -0.024 4.296 4.320 -0.001 0.000 0.215 207 A C 2.329 179.940 177.584 0.044 0.000 1.186 207 A CA 1.415 53.467 52.037 0.025 0.000 0.616 207 A CB -0.904 18.110 19.000 0.023 0.000 0.823 207 A HN 0.333 nan 8.150 nan 0.000 0.442 208 V N -0.028 119.911 119.914 0.040 0.000 2.343 208 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 208 V C 3.066 179.188 176.094 0.045 0.000 1.051 208 V CA 1.939 64.273 62.300 0.057 0.000 1.036 208 V CB -1.242 30.608 31.823 0.046 0.000 0.654 208 V HN 0.616 nan 8.190 nan 0.000 0.451 209 A N -0.273 122.555 122.820 0.012 0.000 1.908 209 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 209 A C 2.388 179.969 177.584 -0.006 0.000 1.181 209 A CA 2.191 54.220 52.037 -0.014 0.000 0.627 209 A CB -0.689 18.283 19.000 -0.047 0.000 0.818 209 A HN 0.345 nan 8.150 nan 0.000 0.445 210 V N -0.304 119.614 119.914 0.008 0.000 2.358 210 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 210 V C 3.026 179.164 176.094 0.072 0.000 1.047 210 V CA 1.827 64.143 62.300 0.026 0.000 1.035 210 V CB -1.134 30.706 31.823 0.028 0.000 0.658 210 V HN 0.613 nan 8.190 nan 0.000 0.452 211 A N -0.121 122.753 122.820 0.091 0.000 1.972 211 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 211 A C 2.140 179.781 177.584 0.095 0.000 1.169 211 A CA 1.758 53.872 52.037 0.128 0.000 0.635 211 A CB -0.469 18.649 19.000 0.197 0.000 0.810 211 A HN 0.592 nan 8.150 nan 0.000 0.446 212 A N -1.240 121.639 122.820 0.099 0.000 2.307 212 A HA 0.342 4.662 4.320 -0.001 0.000 0.218 212 A C 0.603 178.230 177.584 0.072 0.000 1.228 212 A CA 0.371 52.497 52.037 0.147 0.000 0.857 212 A CB -0.719 18.388 19.000 0.178 0.000 0.897 212 A HN 0.594 nan 8.150 nan 0.000 0.495 213 N N -1.119 117.637 118.700 0.093 0.000 2.740 213 N HA -0.157 4.582 4.740 -0.001 0.000 0.248 213 N C 0.344 175.919 175.510 0.108 0.000 1.062 213 N CA 0.714 53.860 53.050 0.160 0.000 0.704 213 N CB -1.463 37.171 38.487 0.245 0.000 0.968 213 N HN 0.544 nan 8.380 nan 0.000 0.547 214 L N -1.910 119.307 121.223 -0.010 0.000 2.558 214 L HA 0.440 4.779 4.340 -0.001 0.000 0.225 214 L C 1.009 177.694 176.870 -0.309 0.000 1.128 214 L CA 0.551 55.356 54.840 -0.057 0.000 0.868 214 L CB -0.098 41.911 42.059 -0.082 0.000 1.006 214 L HN 0.436 nan 8.230 nan 0.000 0.454 215 A N -1.423 121.040 122.820 -0.594 0.000 2.586 215 A HA 0.386 4.706 4.320 -0.001 0.000 0.290 215 A C 0.505 177.666 177.584 -0.706 0.000 1.086 215 A CA 0.125 51.490 52.037 -1.120 0.000 0.665 215 A CB 0.939 19.639 19.000 -0.500 0.000 1.279 215 A HN -0.172 nan 8.150 nan 0.000 0.423 216 S N -1.117 114.275 115.700 -0.513 0.000 2.345 216 S HA 0.158 4.627 4.470 -0.001 0.000 0.219 216 S C 0.838 175.416 174.600 -0.037 0.000 1.031 216 S CA 2.171 60.338 58.200 -0.056 0.000 0.984 216 S CB -0.535 62.688 63.200 0.037 0.000 0.874 216 S HN 2.174 nan 8.310 nan 0.000 0.451 217 V N -2.910 116.957 119.914 -0.078 0.000 3.202 217 V HA 0.974 5.093 4.120 -0.001 0.000 0.306 217 V C -0.765 175.291 176.094 -0.064 0.000 1.283 217 V CA -0.657 61.618 62.300 -0.041 0.000 1.065 217 V CB 1.121 32.936 31.823 -0.014 0.000 1.079 217 V HN 0.497 nan 8.190 nan 0.000 0.448 218 A N 0.988 123.785 122.820 -0.040 0.000 2.594 218 A HA 0.930 5.250 4.320 -0.001 0.000 0.291 218 A C -1.571 175.997 177.584 -0.026 0.000 1.105 218 A CA -0.685 51.327 52.037 -0.042 0.000 0.694 218 A CB 1.854 20.828 19.000 -0.043 0.000 1.291 218 A HN 0.945 nan 8.150 nan 0.000 0.410 219 I N 1.079 121.633 120.570 -0.026 0.000 2.433 219 I HA 0.633 4.803 4.170 -0.001 0.000 0.292 219 I C 0.702 176.810 176.117 -0.015 0.000 1.001 219 I CA -0.134 61.157 61.300 -0.016 0.000 1.119 219 I CB 0.900 38.892 38.000 -0.013 0.000 1.289 219 I HN 0.864 nan 8.210 nan 0.000 0.438 220 G N 3.543 112.337 108.800 -0.010 0.000 3.042 220 G HA2 0.814 4.773 3.960 -0.001 0.000 0.278 220 G HA3 0.814 4.773 3.960 -0.001 0.000 0.278 220 G C -0.924 173.974 174.900 -0.003 0.000 1.371 220 G CA -0.425 44.670 45.100 -0.009 0.000 1.009 220 G HN 0.624 nan 8.290 nan 0.000 0.523 221 T N -2.710 111.843 114.554 -0.002 0.000 2.903 221 T HA 0.714 5.063 4.350 -0.001 0.000 0.299 221 T C -1.161 173.538 174.700 -0.000 0.000 1.093 221 T CA -0.701 61.402 62.100 0.004 0.000 1.002 221 T CB 2.554 71.429 68.868 0.012 0.000 1.127 221 T HN 0.668 nan 8.240 nan 0.000 0.488 222 E N 0.341 120.540 120.200 -0.001 0.000 2.292 222 E HA 0.597 4.946 4.350 -0.001 0.000 0.272 222 E C -0.320 176.278 176.600 -0.004 0.000 0.881 222 E CA -0.737 55.659 56.400 -0.006 0.000 0.754 222 E CB 2.093 31.782 29.700 -0.019 0.000 1.201 222 E HN 0.706 nan 8.360 nan 0.000 0.425 223 T N 2.093 116.647 114.554 -0.000 0.000 3.098 223 T HA 0.129 4.478 4.350 -0.001 0.000 0.246 223 T C -0.554 174.151 174.700 0.008 0.000 0.983 223 T CA 0.019 62.110 62.100 -0.014 0.000 1.094 223 T CB 0.258 69.106 68.868 -0.034 0.000 1.035 223 T HN 0.445 nan 8.240 nan 0.000 0.456 224 D N -0.422 120.007 120.400 0.047 0.000 2.445 224 D HA 0.389 5.029 4.640 -0.001 0.000 0.236 224 D C 0.686 177.074 176.300 0.147 0.000 1.315 224 D CA 0.662 54.732 54.000 0.117 0.000 0.924 224 D CB 0.384 41.270 40.800 0.144 0.000 1.447 224 D HN 0.401 nan 8.370 nan 0.000 0.532 225 G N 1.912 110.731 108.800 0.033 0.000 2.217 225 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.246 225 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.246 225 G C 1.322 176.086 174.900 -0.227 0.000 0.990 225 G CA 0.495 45.402 45.100 -0.320 0.000 0.627 225 G HN 0.460 nan 8.290 nan 0.000 0.522 226 S N -0.223 115.432 115.700 -0.076 0.000 2.500 226 S HA 0.165 4.634 4.470 -0.001 0.000 0.239 226 S C 2.070 176.640 174.600 -0.050 0.000 0.989 226 S CA 1.262 59.437 58.200 -0.041 0.000 0.951 226 S CB -0.058 63.143 63.200 0.002 0.000 0.759 226 S HN 0.589 nan 8.310 nan 0.000 0.523 227 I N 0.042 120.568 120.570 -0.073 0.000 3.132 227 I HA -0.016 4.153 4.170 -0.001 0.000 0.255 227 I C 2.182 178.254 176.117 -0.076 0.000 1.118 227 I CA 0.402 61.669 61.300 -0.054 0.000 1.463 227 I CB -0.232 37.746 38.000 -0.036 0.000 1.356 227 I HN 0.178 nan 8.210 nan 0.000 0.463 228 V N -1.569 118.272 119.914 -0.120 0.000 2.515 228 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 228 V C 2.365 178.364 176.094 -0.158 0.000 1.058 228 V CA 1.527 63.754 62.300 -0.122 0.000 1.064 228 V CB -1.225 30.530 31.823 -0.114 0.000 0.675 228 V HN 0.572 nan 8.190 nan 0.000 0.461 229 C N 1.698 120.836 119.300 -0.269 0.000 2.462 229 C HA 0.088 4.548 4.460 -0.001 0.000 0.278 229 C C 0.910 175.874 174.990 -0.043 0.000 1.253 229 C CA 1.766 60.676 59.018 -0.181 0.000 1.713 229 C CB -1.356 26.249 27.740 -0.224 0.000 2.049 229 C HN 0.577 nan 8.230 nan 0.000 0.477 230 P HA -0.016 nan 4.420 nan 0.000 0.221 230 P C 1.308 178.606 177.300 -0.003 0.000 1.150 230 P CA 2.336 65.433 63.100 -0.006 0.000 0.800 230 P CB -0.190 31.509 31.700 -0.003 0.000 0.787 231 A N 0.964 123.778 122.820 -0.010 0.000 1.877 231 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 231 A C 2.527 180.116 177.584 0.008 0.000 1.186 231 A CA 2.236 54.277 52.037 0.007 0.000 0.620 231 A CB -1.565 17.439 19.000 0.006 0.000 0.822 231 A HN 0.222 nan 8.150 nan 0.000 0.443 232 A N -0.157 122.664 122.820 0.001 0.000 1.902 232 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 232 A C 2.002 179.573 177.584 -0.021 0.000 1.181 232 A CA 1.560 53.598 52.037 0.001 0.000 0.623 232 A CB -0.506 18.503 19.000 0.014 0.000 0.818 232 A HN 0.409 nan 8.150 nan 0.000 0.443 233 I N 0.582 121.149 120.570 -0.004 0.000 2.454 233 I HA -0.165 4.004 4.170 -0.001 0.000 0.254 233 I C 0.802 176.878 176.117 -0.069 0.000 1.156 233 I CA 1.267 62.556 61.300 -0.018 0.000 1.433 233 I CB -0.985 37.016 38.000 0.001 0.000 1.082 233 I HN 0.366 nan 8.210 nan 0.000 0.432 234 N N 0.619 119.302 118.700 -0.028 0.000 2.238 234 N HA 0.120 4.859 4.740 -0.001 0.000 0.222 234 N C 1.049 176.581 175.510 0.038 0.000 1.133 234 N CA 0.640 53.717 53.050 0.044 0.000 0.854 234 N CB 0.908 39.464 38.487 0.116 0.000 1.041 234 N HN 0.363 nan 8.380 nan 0.000 0.510 235 G N 1.219 109.955 108.800 -0.106 0.000 2.273 235 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.280 235 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.280 235 G C 0.180 175.113 174.900 0.055 0.000 1.047 235 G CA 0.947 46.003 45.100 -0.074 0.000 0.869 235 G HN 0.329 nan 8.290 nan 0.000 0.502 236 V N -4.294 115.655 119.914 0.058 0.000 3.158 236 V HA 0.892 5.011 4.120 -0.001 0.000 0.311 236 V C 0.550 176.681 176.094 0.062 0.000 1.181 236 V CA -1.256 61.088 62.300 0.073 0.000 1.054 236 V CB 2.006 33.875 31.823 0.077 0.000 1.085 236 V HN 0.525 nan 8.190 nan 0.000 0.446 237 V N 1.086 121.038 119.914 0.065 0.000 2.546 237 V HA 0.768 4.888 4.120 -0.001 0.000 0.284 237 V C 0.847 176.965 176.094 0.041 0.000 1.050 237 V CA 0.815 63.151 62.300 0.061 0.000 0.981 237 V CB 0.931 32.793 31.823 0.065 0.000 0.990 237 V HN 1.325 nan 8.190 nan 0.000 0.474 238 G N 4.066 112.886 108.800 0.034 0.000 2.687 238 G HA2 0.656 4.615 3.960 -0.001 0.000 0.301 238 G HA3 0.656 4.615 3.960 -0.001 0.000 0.301 238 G C -1.661 173.245 174.900 0.011 0.000 1.416 238 G CA -0.502 44.606 45.100 0.014 0.000 1.005 238 G HN 0.697 nan 8.290 nan 0.000 0.509 239 L N 2.008 123.229 121.223 -0.004 0.000 2.372 239 L HA 0.634 4.973 4.340 -0.001 0.000 0.274 239 L C -0.407 176.450 176.870 -0.022 0.000 0.988 239 L CA -0.917 53.914 54.840 -0.014 0.000 0.833 239 L CB 1.708 43.746 42.059 -0.035 0.000 1.236 239 L HN 0.417 nan 8.230 nan 0.000 0.410 240 K N 7.790 128.180 120.400 -0.016 0.000 2.292 240 K HA 0.495 4.815 4.320 -0.001 0.000 0.270 240 K C -2.567 174.016 176.600 -0.028 0.000 1.062 240 K CA -1.792 54.483 56.287 -0.019 0.000 0.916 240 K CB 1.359 33.852 32.500 -0.012 0.000 1.166 240 K HN 0.309 nan 8.250 nan 0.000 0.458 241 P HA 0.071 nan 4.420 nan 0.000 0.279 241 P C -0.543 176.708 177.300 -0.080 0.000 1.282 241 P CA -0.367 62.700 63.100 -0.055 0.000 0.788 241 P CB 0.414 32.090 31.700 -0.040 0.000 1.139 242 T N 0.090 114.550 114.554 -0.156 0.000 2.940 242 T HA 0.086 4.436 4.350 -0.001 0.000 0.309 242 T C 0.350 174.913 174.700 -0.229 0.000 1.056 242 T CA -0.101 61.798 62.100 -0.334 0.000 1.137 242 T CB -0.155 68.197 68.868 -0.861 0.000 0.976 242 T HN 0.085 nan 8.240 nan 0.000 0.547 243 V N 3.722 123.528 119.914 -0.179 0.000 2.450 243 V HA 0.409 4.528 4.120 -0.001 0.000 0.281 243 V C 1.474 177.579 176.094 0.018 0.000 1.019 243 V CA 1.486 63.757 62.300 -0.049 0.000 1.062 243 V CB 0.078 31.890 31.823 -0.018 0.000 0.979 243 V HN 1.268 nan 8.190 nan 0.000 0.477 244 G N 4.029 112.907 108.800 0.131 0.000 2.284 244 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.201 244 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.201 244 G C 0.440 175.554 174.900 0.357 0.000 0.998 244 G CA 0.217 45.482 45.100 0.275 0.000 0.651 244 G HN 0.668 nan 8.290 nan 0.000 0.489 245 L N 1.104 122.537 121.223 0.349 0.000 2.109 245 L HA 0.496 4.835 4.340 -0.001 0.000 0.207 245 L C 0.939 177.940 176.870 0.219 0.000 1.086 245 L CA 1.520 56.576 54.840 0.360 0.000 0.760 245 L CB 0.181 42.427 42.059 0.312 0.000 0.910 245 L HN 0.192 nan 8.230 nan 0.000 0.437 246 V N -0.153 119.860 119.914 0.165 0.000 2.487 246 V HA 0.338 4.457 4.120 -0.001 0.000 0.298 246 V C 0.173 176.351 176.094 0.140 0.000 1.028 246 V CA -0.741 61.649 62.300 0.150 0.000 0.860 246 V CB 1.280 33.170 31.823 0.113 0.000 0.991 246 V HN 0.190 nan 8.190 nan 0.000 0.427 247 S N 3.386 119.182 115.700 0.160 0.000 2.552 247 S HA 0.157 4.626 4.470 -0.001 0.000 0.289 247 S C 0.966 175.647 174.600 0.134 0.000 1.304 247 S CA -0.092 58.178 58.200 0.116 0.000 1.063 247 S CB 0.247 63.490 63.200 0.071 0.000 0.848 247 S HN 0.676 nan 8.310 nan 0.000 0.499 248 R N 2.116 122.683 120.500 0.112 0.000 2.359 248 R HA 0.274 4.613 4.340 -0.001 0.000 0.231 248 R C -0.270 176.121 176.300 0.151 0.000 0.913 248 R CA -0.093 56.081 56.100 0.123 0.000 1.075 248 R CB -0.120 30.251 30.300 0.118 0.000 1.087 248 R HN 0.608 nan 8.270 nan 0.000 0.515 249 D N -0.266 120.224 120.400 0.150 0.000 2.424 249 D HA 0.247 4.886 4.640 -0.001 0.000 0.244 249 D C 1.091 177.529 176.300 0.230 0.000 1.134 249 D CA 1.615 55.727 54.000 0.186 0.000 0.881 249 D CB 0.616 41.500 40.800 0.141 0.000 1.191 249 D HN 0.312 nan 8.370 nan 0.000 0.445 250 G N 2.664 111.646 108.800 0.303 0.000 2.136 250 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.242 250 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.242 250 G C 0.190 175.219 174.900 0.215 0.000 0.989 250 G CA 0.141 45.369 45.100 0.213 0.000 0.682 250 G HN 0.507 nan 8.290 nan 0.000 0.522 251 I N 0.882 121.607 120.570 0.259 0.000 2.465 251 I HA 0.401 4.571 4.170 -0.001 0.000 0.291 251 I C 0.820 176.945 176.117 0.014 0.000 1.014 251 I CA -1.248 60.131 61.300 0.133 0.000 1.093 251 I CB 1.717 39.771 38.000 0.091 0.000 1.267 251 I HN -0.064 nan 8.210 nan 0.000 0.431 252 I N 8.397 128.816 120.570 -0.253 0.000 2.662 252 I HA 0.046 4.215 4.170 -0.001 0.000 0.285 252 I C -1.780 174.235 176.117 -0.169 0.000 1.161 252 I CA -0.904 60.050 61.300 -0.576 0.000 1.415 252 I CB 0.071 37.837 38.000 -0.391 0.000 1.385 252 I HN 0.331 nan 8.210 nan 0.000 0.552 253 P HA 0.437 nan 4.420 nan 0.000 0.287 253 P C 0.169 177.529 177.300 0.099 0.000 1.296 253 P CA -0.267 62.839 63.100 0.009 0.000 0.811 253 P CB 2.413 34.133 31.700 0.032 0.000 1.211 254 I N -1.544 119.060 120.570 0.058 0.000 3.685 254 I HA 0.108 4.278 4.170 -0.001 0.000 0.258 254 I C 0.655 176.706 176.117 -0.110 0.000 1.135 254 I CA 0.295 61.603 61.300 0.014 0.000 1.436 254 I CB 0.321 38.186 38.000 -0.225 0.000 1.670 254 I HN 0.283 nan 8.210 nan 0.000 0.424 255 S N 0.786 116.402 115.700 -0.141 0.000 2.647 255 S HA 0.330 4.799 4.470 -0.001 0.000 0.300 255 S C 0.369 174.886 174.600 -0.139 0.000 1.129 255 S CA -0.688 57.373 58.200 -0.231 0.000 1.029 255 S CB 0.827 63.879 63.200 -0.247 0.000 1.007 255 S HN 0.290 nan 8.310 nan 0.000 0.484 256 F N 3.300 123.264 119.950 0.022 0.000 2.407 256 F HA 0.203 4.729 4.527 -0.001 0.000 0.299 256 F C 1.857 177.674 175.800 0.029 0.000 1.097 256 F CA 0.576 58.595 58.000 0.030 0.000 1.422 256 F CB -1.002 38.021 39.000 0.039 0.000 1.067 256 F HN 0.483 nan 8.300 nan 0.000 0.539 257 S N -0.093 115.558 115.700 -0.082 0.000 2.414 257 S HA -0.078 4.391 4.470 -0.001 0.000 0.227 257 S C 1.740 176.327 174.600 -0.022 0.000 1.022 257 S CA 1.268 59.480 58.200 0.020 0.000 0.958 257 S CB -0.202 62.937 63.200 -0.102 0.000 0.797 257 S HN 0.592 nan 8.310 nan 0.000 0.493 258 Q N -0.101 119.660 119.800 -0.064 0.000 2.322 258 Q HA 0.172 4.512 4.340 -0.001 0.000 0.250 258 Q C -0.749 175.232 176.000 -0.032 0.000 0.853 258 Q CA -0.189 55.576 55.803 -0.062 0.000 0.951 258 Q CB 0.356 29.041 28.738 -0.089 0.000 1.114 258 Q HN 0.288 nan 8.270 nan 0.000 0.523 259 D N 1.815 122.207 120.400 -0.013 0.000 2.443 259 D HA 0.156 4.796 4.640 -0.001 0.000 0.239 259 D C -0.245 176.071 176.300 0.027 0.000 1.136 259 D CA 1.098 55.104 54.000 0.009 0.000 0.879 259 D CB 1.079 41.897 40.800 0.030 0.000 1.195 259 D HN -0.116 nan 8.370 nan 0.000 0.443 260 T N -0.234 114.333 114.554 0.022 0.000 3.087 260 T HA 0.584 4.933 4.350 -0.001 0.000 0.351 260 T C -1.325 173.390 174.700 0.025 0.000 1.520 260 T CA -0.672 61.447 62.100 0.031 0.000 1.111 260 T CB 0.780 69.659 68.868 0.019 0.000 1.353 260 T HN 0.335 nan 8.240 nan 0.000 0.481 261 A N 1.864 124.706 122.820 0.037 0.000 2.287 261 A HA 0.959 5.278 4.320 -0.001 0.000 0.273 261 A C 0.691 178.284 177.584 0.016 0.000 1.091 261 A CA 0.191 52.245 52.037 0.028 0.000 0.817 261 A CB 0.385 19.410 19.000 0.041 0.000 1.069 261 A HN 1.506 nan 8.150 nan 0.000 0.492 262 G N -0.177 108.626 108.800 0.005 0.000 2.632 262 G HA2 0.621 4.580 3.960 -0.001 0.000 0.292 262 G HA3 0.621 4.580 3.960 -0.001 0.000 0.292 262 G C -3.426 171.468 174.900 -0.009 0.000 1.465 262 G CA -0.866 44.230 45.100 -0.007 0.000 0.824 262 G HN 0.575 nan 8.290 nan 0.000 0.509 263 P HA 0.461 nan 4.420 nan 0.000 0.277 263 P C -0.804 176.493 177.300 -0.006 0.000 1.240 263 P CA -0.254 62.840 63.100 -0.011 0.000 0.798 263 P CB 1.416 33.107 31.700 -0.014 0.000 0.979 264 M N 1.698 121.297 119.600 -0.001 0.000 2.263 264 M HA 0.679 5.158 4.480 -0.001 0.000 0.295 264 M C -0.584 175.725 176.300 0.014 0.000 1.028 264 M CA -0.401 54.903 55.300 0.007 0.000 0.921 264 M CB 2.640 35.241 32.600 0.002 0.000 1.601 264 M HN 0.440 nan 8.290 nan 0.000 0.440 265 A N 2.152 124.989 122.820 0.029 0.000 2.599 265 A HA 0.671 4.990 4.320 -0.001 0.000 0.290 265 A C -0.220 177.401 177.584 0.061 0.000 1.101 265 A CA -0.760 51.302 52.037 0.042 0.000 0.674 265 A CB 1.537 20.562 19.000 0.042 0.000 1.277 265 A HN 0.926 nan 8.150 nan 0.000 0.419 266 R N -0.001 120.544 120.500 0.075 0.000 2.240 266 R HA 0.107 4.447 4.340 -0.001 0.000 0.203 266 R C 0.468 176.821 176.300 0.087 0.000 1.011 266 R CA 1.282 57.435 56.100 0.089 0.000 1.007 266 R CB 0.036 30.399 30.300 0.105 0.000 0.911 266 R HN 0.782 nan 8.270 nan 0.000 0.468 267 S N -2.000 113.752 115.700 0.086 0.000 2.595 267 S HA 0.239 4.709 4.470 -0.001 0.000 0.281 267 S C 0.854 175.515 174.600 0.102 0.000 1.117 267 S CA -1.031 57.227 58.200 0.097 0.000 0.873 267 S CB 2.079 65.343 63.200 0.107 0.000 1.108 267 S HN -0.192 nan 8.310 nan 0.000 0.477 268 V N 1.585 121.578 119.914 0.133 0.000 2.407 268 V HA -0.096 4.023 4.120 -0.001 0.000 0.248 268 V C 2.963 179.129 176.094 0.120 0.000 1.055 268 V CA 2.408 64.789 62.300 0.135 0.000 1.049 268 V CB -1.579 30.365 31.823 0.202 0.000 0.662 268 V HN 1.017 nan 8.190 nan 0.000 0.455 269 A N 0.047 122.960 122.820 0.155 0.000 1.902 269 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 269 A C 1.975 179.591 177.584 0.053 0.000 1.181 269 A CA 2.135 54.214 52.037 0.070 0.000 0.623 269 A CB -0.614 18.445 19.000 0.099 0.000 0.818 269 A HN 0.528 nan 8.150 nan 0.000 0.443 270 D N -0.033 120.408 120.400 0.068 0.000 2.117 270 D HA -0.011 4.629 4.640 -0.001 0.000 0.198 270 D C 2.233 178.556 176.300 0.039 0.000 0.982 270 D CA 1.505 55.537 54.000 0.054 0.000 0.828 270 D CB -0.431 40.406 40.800 0.061 0.000 0.967 270 D HN 0.414 nan 8.370 nan 0.000 0.464 271 A N 0.870 123.713 122.820 0.038 0.000 1.933 271 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 271 A C 2.280 179.866 177.584 0.003 0.000 1.175 271 A CA 2.134 54.180 52.037 0.016 0.000 0.628 271 A CB -0.715 18.293 19.000 0.014 0.000 0.814 271 A HN 0.231 nan 8.150 nan 0.000 0.444 272 A N -0.191 122.640 122.820 0.018 0.000 1.930 272 A HA 0.190 4.509 4.320 -0.001 0.000 0.217 272 A C 2.479 180.109 177.584 0.077 0.000 1.175 272 A CA 1.950 54.011 52.037 0.040 0.000 0.627 272 A CB -0.922 18.112 19.000 0.057 0.000 0.815 272 A HN 1.014 nan 8.150 nan 0.000 0.443 273 A N -0.540 122.313 122.820 0.053 0.000 1.902 273 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 273 A C 2.220 179.838 177.584 0.056 0.000 1.181 273 A CA 1.780 53.850 52.037 0.055 0.000 0.623 273 A CB -0.885 18.138 19.000 0.038 0.000 0.818 273 A HN 0.376 nan 8.150 nan 0.000 0.443 274 V N -0.396 119.540 119.914 0.036 0.000 2.358 274 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 274 V C 2.477 178.590 176.094 0.032 0.000 1.047 274 V CA 1.861 64.176 62.300 0.025 0.000 1.035 274 V CB -0.756 31.072 31.823 0.008 0.000 0.658 274 V HN 0.563 nan 8.190 nan 0.000 0.452 275 L N 0.105 121.333 121.223 0.008 0.000 2.079 275 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 275 L C 2.481 179.425 176.870 0.124 0.000 1.081 275 L CA 2.393 57.214 54.840 -0.032 0.000 0.752 275 L CB -0.923 40.976 42.059 -0.266 0.000 0.896 275 L HN 0.348 nan 8.230 nan 0.000 0.433 276 T N -0.448 114.253 114.554 0.245 0.000 2.759 276 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 276 T C 1.818 176.628 174.700 0.183 0.000 1.042 276 T CA 1.339 63.638 62.100 0.330 0.000 1.140 276 T CB -0.406 68.597 68.868 0.225 0.000 0.864 276 T HN 0.530 nan 8.240 nan 0.000 0.455 277 A N 1.334 124.221 122.820 0.112 0.000 1.970 277 A HA 0.156 4.475 4.320 -0.001 0.000 0.216 277 A C 2.241 179.862 177.584 0.062 0.000 1.170 277 A CA 0.916 52.993 52.037 0.067 0.000 0.645 277 A CB -0.512 18.508 19.000 0.034 0.000 0.816 277 A HN 0.704 nan 8.150 nan 0.000 0.447 278 I N -3.443 117.172 120.570 0.074 0.000 3.427 278 I HA 0.387 4.556 4.170 -0.001 0.000 0.288 278 I C 1.126 177.326 176.117 0.138 0.000 1.249 278 I CA 0.180 61.526 61.300 0.077 0.000 1.421 278 I CB -0.233 37.802 38.000 0.057 0.000 1.086 278 I HN 0.128 nan 8.210 nan 0.000 0.448 279 A N 1.710 124.631 122.820 0.167 0.000 2.462 279 A HA 0.629 4.948 4.320 -0.001 0.000 0.243 279 A C 0.474 178.188 177.584 0.217 0.000 1.076 279 A CA 0.615 52.778 52.037 0.210 0.000 0.773 279 A CB -0.373 18.803 19.000 0.294 0.000 1.010 279 A HN 0.730 nan 8.150 nan 0.000 0.493 280 G N 0.818 109.747 108.800 0.216 0.000 2.376 280 G HA2 0.396 4.355 3.960 -0.001 0.000 0.302 280 G HA3 0.396 4.355 3.960 -0.001 0.000 0.302 280 G C -0.791 174.196 174.900 0.144 0.000 1.586 280 G CA -0.903 44.320 45.100 0.205 0.000 0.907 280 G HN 0.932 nan 8.290 nan 0.000 0.655 281 R N 0.368 120.910 120.500 0.070 0.000 2.438 281 R HA 0.482 4.821 4.340 -0.001 0.000 0.287 281 R C -1.258 174.943 176.300 -0.166 0.000 1.077 281 R CA -0.206 55.879 56.100 -0.025 0.000 1.034 281 R CB 0.892 31.179 30.300 -0.022 0.000 0.993 281 R HN 0.487 nan 8.270 nan 0.000 0.459 282 D N 2.201 122.432 120.400 -0.282 0.000 2.788 282 D HA 0.120 4.760 4.640 -0.001 0.000 0.247 282 D C -0.199 175.949 176.300 -0.253 0.000 1.236 282 D CA -0.549 53.142 54.000 -0.515 0.000 0.898 282 D CB 1.566 41.813 40.800 -0.922 0.000 1.401 282 D HN 0.473 nan 8.370 nan 0.000 0.549 283 D N 2.569 122.862 120.400 -0.179 0.000 2.221 283 D HA -0.133 4.506 4.640 -0.001 0.000 0.204 283 D C 1.557 177.804 176.300 -0.087 0.000 0.982 283 D CA 1.053 54.994 54.000 -0.099 0.000 0.857 283 D CB 0.146 40.908 40.800 -0.063 0.000 0.934 283 D HN 0.528 nan 8.370 nan 0.000 0.475 284 A N 0.070 122.827 122.820 -0.106 0.000 2.167 284 A HA -0.073 4.247 4.320 -0.001 0.000 0.214 284 A C 0.722 178.277 177.584 -0.048 0.000 1.151 284 A CA 0.419 52.419 52.037 -0.062 0.000 0.735 284 A CB 0.245 19.223 19.000 -0.036 0.000 0.802 284 A HN -0.030 nan 8.150 nan 0.000 0.467 285 D N -1.452 118.907 120.400 -0.068 0.000 2.420 285 D HA 0.380 5.019 4.640 -0.001 0.000 0.255 285 D C -2.263 174.021 176.300 -0.026 0.000 1.185 285 D CA -2.083 51.899 54.000 -0.030 0.000 0.904 285 D CB 1.406 42.198 40.800 -0.014 0.000 1.102 285 D HN -0.104 nan 8.370 nan 0.000 0.534 286 P HA -0.135 nan 4.420 nan 0.000 0.218 286 P C 1.083 178.393 177.300 0.017 0.000 1.146 286 P CA 1.188 64.277 63.100 -0.019 0.000 0.813 286 P CB 0.315 31.991 31.700 -0.040 0.000 0.778 287 A N -0.453 122.393 122.820 0.043 0.000 2.019 287 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 287 A C 2.164 179.825 177.584 0.128 0.000 1.164 287 A CA 2.211 54.307 52.037 0.098 0.000 0.644 287 A CB -1.870 17.201 19.000 0.118 0.000 0.805 287 A HN 0.357 nan 8.150 nan 0.000 0.449 288 T N -3.080 111.523 114.554 0.081 0.000 3.072 288 T HA 0.262 4.611 4.350 -0.001 0.000 0.266 288 T C 1.533 176.250 174.700 0.029 0.000 1.127 288 T CA 1.139 63.285 62.100 0.077 0.000 1.107 288 T CB -0.199 68.683 68.868 0.022 0.000 0.910 288 T HN 0.496 nan 8.240 nan 0.000 0.513 289 A N 1.793 124.622 122.820 0.015 0.000 2.218 289 A HA 0.186 4.505 4.320 -0.001 0.000 0.209 289 A C 2.423 180.000 177.584 -0.012 0.000 1.168 289 A CA 1.026 53.055 52.037 -0.014 0.000 0.804 289 A CB -0.802 18.189 19.000 -0.016 0.000 0.834 289 A HN 0.667 nan 8.150 nan 0.000 0.482 290 T N -3.069 111.510 114.554 0.041 0.000 3.100 290 T HA 0.242 4.592 4.350 -0.001 0.000 0.253 290 T C 0.744 175.431 174.700 -0.022 0.000 1.118 290 T CA 0.049 62.191 62.100 0.071 0.000 1.058 290 T CB -0.517 68.464 68.868 0.188 0.000 0.953 290 T HN 0.352 nan 8.240 nan 0.000 0.515 291 M N 4.113 123.573 119.600 -0.234 0.000 2.217 291 M HA 0.294 4.773 4.480 -0.001 0.000 0.352 291 M C -2.314 173.592 176.300 -0.657 0.000 1.376 291 M CA -1.988 52.775 55.300 -0.895 0.000 1.107 291 M CB 0.887 32.943 32.600 -0.907 0.000 1.723 291 M HN -0.042 nan 8.290 nan 0.000 0.461 292 P HA 0.207 nan 4.420 nan 0.000 0.281 292 P C 0.064 177.139 177.300 -0.375 0.000 1.252 292 P CA 0.192 63.032 63.100 -0.434 0.000 0.778 292 P CB 0.731 32.219 31.700 -0.353 0.000 0.895 293 G N 3.042 111.702 108.800 -0.233 0.000 2.393 293 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.299 293 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.299 293 G C 0.331 175.121 174.900 -0.184 0.000 0.990 293 G CA -0.002 44.994 45.100 -0.174 0.000 1.118 293 G HN 0.844 nan 8.290 nan 0.000 0.513 294 R N 0.055 120.442 120.500 -0.189 0.000 2.543 294 R HA 0.614 4.953 4.340 -0.001 0.000 0.277 294 R C 0.443 176.701 176.300 -0.071 0.000 1.074 294 R CA 0.535 56.548 56.100 -0.145 0.000 1.076 294 R CB 0.447 30.670 30.300 -0.128 0.000 0.993 294 R HN 0.917 nan 8.270 nan 0.000 0.459 295 A N 2.994 125.796 122.820 -0.031 0.000 2.593 295 A HA 0.349 4.669 4.320 -0.001 0.000 0.290 295 A C -1.083 176.530 177.584 0.048 0.000 1.126 295 A CA -0.742 51.301 52.037 0.009 0.000 0.695 295 A CB 1.598 20.609 19.000 0.019 0.000 1.290 295 A HN 0.468 nan 8.150 nan 0.000 0.414 296 V N 1.818 121.755 119.914 0.039 0.000 2.324 296 V HA 0.070 4.189 4.120 -0.001 0.000 0.244 296 V C -0.576 175.532 176.094 0.023 0.000 1.144 296 V CA 0.617 62.938 62.300 0.035 0.000 1.158 296 V CB -1.614 30.215 31.823 0.011 0.000 1.254 296 V HN 0.610 nan 8.190 nan 0.000 0.492 297 Y N 3.120 123.335 120.300 -0.142 0.000 2.326 297 Y HA 0.418 4.968 4.550 -0.001 0.000 0.337 297 Y C 0.358 176.054 175.900 -0.339 0.000 1.023 297 Y CA -1.085 56.841 58.100 -0.290 0.000 1.143 297 Y CB 1.288 39.463 38.460 -0.475 0.000 1.183 297 Y HN 0.603 nan 8.280 nan 0.000 0.485 298 D N 4.612 124.600 120.400 -0.686 0.000 2.411 298 D HA 0.055 4.694 4.640 -0.001 0.000 0.225 298 D C -0.062 175.925 176.300 -0.523 0.000 1.156 298 D CA 0.015 53.756 54.000 -0.431 0.000 0.874 298 D CB 0.166 40.776 40.800 -0.317 0.000 1.034 298 D HN 0.572 nan 8.370 nan 0.000 0.502 299 Y N 1.286 121.550 120.300 -0.059 0.000 2.497 299 Y HA -0.135 4.414 4.550 -0.001 0.000 0.292 299 Y C 2.619 178.490 175.900 -0.049 0.000 1.137 299 Y CA 1.371 59.505 58.100 0.056 0.000 1.285 299 Y CB -0.298 38.245 38.460 0.138 0.000 0.991 299 Y HN 0.468 nan 8.280 nan 0.000 0.556 300 T N -3.346 111.220 114.554 0.019 0.000 3.072 300 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 300 T C 2.003 176.629 174.700 -0.123 0.000 1.127 300 T CA 0.709 62.775 62.100 -0.057 0.000 1.107 300 T CB -0.337 68.499 68.868 -0.054 0.000 0.910 300 T HN 0.286 nan 8.240 nan 0.000 0.513 301 A N 1.577 124.304 122.820 -0.155 0.000 2.119 301 A HA 0.117 4.437 4.320 -0.001 0.000 0.217 301 A C 2.329 179.847 177.584 -0.110 0.000 1.153 301 A CA 0.340 52.279 52.037 -0.164 0.000 0.692 301 A CB -0.310 18.539 19.000 -0.252 0.000 0.799 301 A HN 0.318 nan 8.150 nan 0.000 0.458 302 R N -0.331 120.131 120.500 -0.064 0.000 2.334 302 R HA 0.204 4.543 4.340 -0.001 0.000 0.220 302 R C -0.233 176.012 176.300 -0.092 0.000 0.917 302 R CA 0.036 56.136 56.100 -0.001 0.000 1.073 302 R CB -0.392 29.987 30.300 0.133 0.000 1.056 302 R HN 0.455 nan 8.270 nan 0.000 0.506 303 L N 2.354 123.417 121.223 -0.267 0.000 2.391 303 L HA 0.105 4.445 4.340 -0.001 0.000 0.249 303 L C 0.055 176.665 176.870 -0.433 0.000 1.308 303 L CA -0.156 54.241 54.840 -0.738 0.000 1.209 303 L CB -0.278 41.172 42.059 -1.014 0.000 1.401 303 L HN -0.214 nan 8.230 nan 0.000 0.416 304 D N 3.634 124.019 120.400 -0.025 0.000 2.329 304 D HA 0.193 4.832 4.640 -0.001 0.000 0.232 304 D C -1.384 175.108 176.300 0.321 0.000 1.088 304 D CA -2.176 51.907 54.000 0.139 0.000 0.835 304 D CB 1.920 42.773 40.800 0.088 0.000 1.078 304 D HN 0.086 nan 8.370 nan 0.000 0.495 305 P HA -0.107 nan 4.420 nan 0.000 0.228 305 P C 0.382 177.745 177.300 0.106 0.000 1.151 305 P CA 0.817 64.030 63.100 0.188 0.000 0.770 305 P CB 0.454 32.235 31.700 0.135 0.000 0.786 306 Q N -0.738 119.127 119.800 0.109 0.000 2.189 306 Q HA 0.214 4.554 4.340 -0.001 0.000 0.221 306 Q C 1.866 177.920 176.000 0.089 0.000 0.848 306 Q CA -0.099 55.752 55.803 0.080 0.000 1.007 306 Q CB 0.001 28.777 28.738 0.064 0.000 1.116 306 Q HN 0.193 nan 8.270 nan 0.000 0.481 307 G N 0.602 109.471 108.800 0.116 0.000 2.535 307 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.218 307 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.218 307 G C 1.154 176.116 174.900 0.104 0.000 1.122 307 G CA 0.475 45.643 45.100 0.113 0.000 0.769 307 G HN 0.272 nan 8.290 nan 0.000 0.549 308 L N -0.351 120.935 121.223 0.105 0.000 2.585 308 L HA 0.264 4.603 4.340 -0.001 0.000 0.226 308 L C 0.977 177.899 176.870 0.087 0.000 1.113 308 L CA -0.484 54.422 54.840 0.110 0.000 0.876 308 L CB 0.138 42.276 42.059 0.131 0.000 1.072 308 L HN -0.063 nan 8.230 nan 0.000 0.468 309 R N 1.037 121.582 120.500 0.074 0.000 2.458 309 R HA 0.117 4.457 4.340 -0.001 0.000 0.303 309 R C 1.130 177.464 176.300 0.057 0.000 1.013 309 R CA 0.873 57.009 56.100 0.060 0.000 1.026 309 R CB -0.141 30.191 30.300 0.053 0.000 0.948 309 R HN 0.373 nan 8.270 nan 0.000 0.417 310 G N 2.500 111.331 108.800 0.052 0.000 2.184 310 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.264 310 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.264 310 G C 0.196 175.129 174.900 0.053 0.000 0.975 310 G CA 0.209 45.338 45.100 0.048 0.000 0.642 310 G HN 0.425 nan 8.290 nan 0.000 0.536 311 K N 0.353 120.791 120.400 0.063 0.000 2.168 311 K HA 0.549 4.869 4.320 -0.001 0.000 0.258 311 K C 0.674 177.313 176.600 0.064 0.000 1.010 311 K CA -0.216 56.112 56.287 0.070 0.000 0.929 311 K CB 0.672 33.225 32.500 0.089 0.000 0.998 311 K HN 0.412 nan 8.250 nan 0.000 0.479 312 R N 1.466 122.004 120.500 0.063 0.000 2.480 312 R HA 0.521 4.860 4.340 -0.001 0.000 0.306 312 R C -0.327 176.003 176.300 0.051 0.000 0.958 312 R CA -0.478 55.654 56.100 0.054 0.000 0.861 312 R CB 1.136 31.470 30.300 0.056 0.000 1.171 312 R HN 0.472 nan 8.270 nan 0.000 0.445 313 I N 0.969 121.557 120.570 0.030 0.000 2.509 313 I HA 0.419 4.589 4.170 -0.001 0.000 0.293 313 I C 0.348 176.447 176.117 -0.031 0.000 1.020 313 I CA -0.919 60.387 61.300 0.010 0.000 1.088 313 I CB 2.423 40.424 38.000 0.001 0.000 1.267 313 I HN 0.662 nan 8.210 nan 0.000 0.430 314 G N 5.617 114.393 108.800 -0.039 0.000 2.370 314 G HA2 0.523 4.482 3.960 -0.001 0.000 0.317 314 G HA3 0.523 4.482 3.960 -0.001 0.000 0.317 314 G C -1.124 173.725 174.900 -0.084 0.000 1.162 314 G CA -0.417 44.640 45.100 -0.071 0.000 0.922 314 G HN 0.399 nan 8.290 nan 0.000 0.454 315 L N 4.122 125.287 121.223 -0.097 0.000 2.283 315 L HA 0.405 4.744 4.340 -0.001 0.000 0.287 315 L C 0.265 177.087 176.870 -0.079 0.000 1.073 315 L CA -0.576 54.203 54.840 -0.100 0.000 0.822 315 L CB 0.434 42.436 42.059 -0.095 0.000 1.186 315 L HN 0.382 nan 8.230 nan 0.000 0.436 316 L N 5.628 126.809 121.223 -0.069 0.000 2.462 316 L HA 0.133 4.472 4.340 -0.001 0.000 0.272 316 L C 0.290 177.136 176.870 -0.041 0.000 1.166 316 L CA -0.088 54.725 54.840 -0.044 0.000 0.880 316 L CB 0.121 42.161 42.059 -0.031 0.000 1.142 316 L HN 0.556 nan 8.230 nan 0.000 0.473 317 Q N 3.850 123.630 119.800 -0.033 0.000 2.377 317 Q HA 0.332 4.671 4.340 -0.001 0.000 0.249 317 Q C 0.090 176.076 176.000 -0.023 0.000 1.005 317 Q CA -0.121 55.666 55.803 -0.028 0.000 0.912 317 Q CB 1.311 30.034 28.738 -0.026 0.000 1.223 317 Q HN 0.768 nan 8.270 nan 0.000 0.459 318 T N -1.267 113.274 114.554 -0.023 0.000 2.816 318 T HA 0.440 4.789 4.350 -0.001 0.000 0.299 318 T C -2.293 172.400 174.700 -0.011 0.000 1.230 318 T CA -1.749 60.339 62.100 -0.021 0.000 1.007 318 T CB 1.656 70.509 68.868 -0.025 0.000 1.289 318 T HN 0.005 nan 8.240 nan 0.000 0.508 319 P HA 0.030 nan 4.420 nan 0.000 0.223 319 P C 1.505 178.826 177.300 0.035 0.000 1.144 319 P CA 0.172 63.279 63.100 0.011 0.000 0.783 319 P CB -0.001 31.707 31.700 0.012 0.000 0.771 320 L N -0.942 120.297 121.223 0.028 0.000 2.265 320 L HA -0.111 4.229 4.340 -0.001 0.000 0.215 320 L C 1.858 178.748 176.870 0.032 0.000 1.117 320 L CA 1.562 56.422 54.840 0.034 0.000 0.782 320 L CB -1.074 40.978 42.059 -0.012 0.000 0.914 320 L HN -0.054 nan 8.230 nan 0.000 0.441 321 L N -0.935 120.296 121.223 0.013 0.000 2.275 321 L HA -0.124 4.215 4.340 -0.001 0.000 0.215 321 L C 1.611 178.497 176.870 0.028 0.000 1.119 321 L CA 0.697 55.541 54.840 0.007 0.000 0.790 321 L CB -0.508 41.545 42.059 -0.010 0.000 0.919 321 L HN 0.173 nan 8.230 nan 0.000 0.443 322 K N -0.717 119.707 120.400 0.040 0.000 2.397 322 K HA 0.098 4.417 4.320 -0.001 0.000 0.202 322 K C -0.117 176.513 176.600 0.049 0.000 1.022 322 K CA -0.355 55.951 56.287 0.031 0.000 1.141 322 K CB -0.339 32.166 32.500 0.008 0.000 0.857 322 K HN 0.074 nan 8.250 nan 0.000 0.514 323 Y N 2.744 123.006 120.300 -0.063 0.000 2.702 323 Y HA -0.080 4.469 4.550 -0.001 0.000 0.336 323 Y C 0.753 176.605 175.900 -0.081 0.000 1.235 323 Y CA -0.202 57.843 58.100 -0.092 0.000 1.492 323 Y CB 0.459 38.837 38.460 -0.136 0.000 1.308 323 Y HN 0.011 nan 8.280 nan 0.000 0.589 324 R N 4.012 124.241 120.500 -0.451 0.000 2.501 324 R HA 0.085 4.424 4.340 -0.001 0.000 0.319 324 R C 1.134 177.383 176.300 -0.085 0.000 0.913 324 R CA 1.345 57.279 56.100 -0.277 0.000 1.104 324 R CB -0.792 29.288 30.300 -0.367 0.000 0.901 324 R HN 1.150 nan 8.270 nan 0.000 0.407 325 G N 3.787 112.579 108.800 -0.014 0.000 2.199 325 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.254 325 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.254 325 G C 0.503 175.441 174.900 0.063 0.000 0.982 325 G CA 0.404 45.522 45.100 0.029 0.000 0.632 325 G HN 0.610 nan 8.290 nan 0.000 0.529 326 M N 0.990 120.651 119.600 0.102 0.000 2.193 326 M HA 0.239 4.718 4.480 -0.001 0.000 0.265 326 M C -0.083 176.237 176.300 0.034 0.000 1.071 326 M CA 1.765 57.112 55.300 0.079 0.000 1.140 326 M CB -0.789 31.877 32.600 0.111 0.000 1.369 326 M HN 0.141 nan 8.290 nan 0.000 0.423 327 P HA -0.173 nan 4.420 nan 0.000 0.217 327 P C -1.478 175.827 177.300 0.008 0.000 1.162 327 P CA 2.271 65.377 63.100 0.011 0.000 0.901 327 P CB -1.367 30.337 31.700 0.006 0.000 0.793 328 P HA -0.111 nan 4.420 nan 0.000 0.217 328 P C 1.540 178.850 177.300 0.016 0.000 1.150 328 P CA 1.217 64.324 63.100 0.012 0.000 0.832 328 P CB -0.462 31.245 31.700 0.012 0.000 0.787 329 L N -1.564 119.670 121.223 0.018 0.000 2.027 329 L HA -0.135 4.204 4.340 -0.001 0.000 0.206 329 L C 2.337 179.218 176.870 0.017 0.000 1.074 329 L CA 1.107 55.961 54.840 0.023 0.000 0.745 329 L CB -0.864 41.207 42.059 0.019 0.000 0.898 329 L HN -0.069 nan 8.230 nan 0.000 0.433 330 I N 0.013 120.582 120.570 -0.002 0.000 2.394 330 I HA -0.213 3.956 4.170 -0.001 0.000 0.251 330 I C 2.328 178.434 176.117 -0.017 0.000 1.136 330 I CA 1.439 62.724 61.300 -0.025 0.000 1.425 330 I CB -0.221 37.755 38.000 -0.040 0.000 1.079 330 I HN 0.213 nan 8.210 nan 0.000 0.425 331 E N -0.470 119.728 120.200 -0.003 0.000 2.072 331 E HA -0.290 4.060 4.350 -0.001 0.000 0.191 331 E C 2.052 178.661 176.600 0.016 0.000 0.985 331 E CA 1.140 57.541 56.400 0.001 0.000 0.801 331 E CB -0.135 29.567 29.700 0.003 0.000 0.750 331 E HN 0.429 nan 8.360 nan 0.000 0.452 332 Q N 0.841 120.658 119.800 0.028 0.000 2.084 332 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 332 Q C 1.883 177.933 176.000 0.084 0.000 0.978 332 Q CA 1.792 57.624 55.803 0.048 0.000 0.844 332 Q CB -0.312 28.456 28.738 0.050 0.000 0.898 332 Q HN 0.239 nan 8.270 nan 0.000 0.426 333 A N 0.263 123.136 122.820 0.088 0.000 1.902 333 A HA -0.060 4.260 4.320 -0.001 0.000 0.217 333 A C 2.297 179.923 177.584 0.069 0.000 1.181 333 A CA 1.932 54.048 52.037 0.132 0.000 0.623 333 A CB -1.209 17.783 19.000 -0.013 0.000 0.818 333 A HN 0.516 nan 8.150 nan 0.000 0.443 334 A N -1.054 121.770 122.820 0.007 0.000 1.902 334 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 334 A C 2.308 179.911 177.584 0.031 0.000 1.181 334 A CA 2.332 54.365 52.037 -0.006 0.000 0.623 334 A CB -1.297 17.689 19.000 -0.024 0.000 0.818 334 A HN 0.430 nan 8.150 nan 0.000 0.443 335 T N -0.011 114.568 114.554 0.041 0.000 2.746 335 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 335 T C 1.825 176.565 174.700 0.067 0.000 1.039 335 T CA 1.481 63.607 62.100 0.044 0.000 1.142 335 T CB -0.233 68.657 68.868 0.036 0.000 0.866 335 T HN 0.481 nan 8.240 nan 0.000 0.444 336 E N 1.130 121.393 120.200 0.104 0.000 2.077 336 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 336 E C 2.341 179.033 176.600 0.154 0.000 0.989 336 E CA 0.741 57.218 56.400 0.128 0.000 0.800 336 E CB -0.473 29.338 29.700 0.186 0.000 0.746 336 E HN 0.472 nan 8.360 nan 0.000 0.452 337 L N 0.353 121.681 121.223 0.176 0.000 2.046 337 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 337 L C 2.712 179.641 176.870 0.099 0.000 1.077 337 L CA 1.266 56.199 54.840 0.156 0.000 0.747 337 L CB -0.350 41.767 42.059 0.096 0.000 0.896 337 L HN 0.044 nan 8.230 nan 0.000 0.432 338 R N -0.544 119.997 120.500 0.068 0.000 2.075 338 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 338 R C 2.398 178.727 176.300 0.049 0.000 1.126 338 R CA 0.859 56.989 56.100 0.049 0.000 0.963 338 R CB -0.235 30.086 30.300 0.034 0.000 0.858 338 R HN 0.231 nan 8.270 nan 0.000 0.435 339 R N 0.392 120.922 120.500 0.050 0.000 2.193 339 R HA -0.021 4.318 4.340 -0.001 0.000 0.229 339 R C 1.829 178.155 176.300 0.044 0.000 1.110 339 R CA 1.164 57.288 56.100 0.040 0.000 0.988 339 R CB -0.440 29.881 30.300 0.034 0.000 0.871 339 R HN 0.222 nan 8.270 nan 0.000 0.458 340 A N -0.354 122.502 122.820 0.060 0.000 2.208 340 A HA 0.259 4.578 4.320 -0.001 0.000 0.209 340 A C 1.362 178.983 177.584 0.062 0.000 1.161 340 A CA 1.032 53.106 52.037 0.062 0.000 0.782 340 A CB 0.057 19.111 19.000 0.089 0.000 0.816 340 A HN 0.403 nan 8.150 nan 0.000 0.477 341 G N -2.655 106.179 108.800 0.057 0.000 2.184 341 G HA2 0.195 4.155 3.960 -0.001 0.000 0.206 341 G HA3 0.195 4.155 3.960 -0.001 0.000 0.206 341 G C 0.294 175.228 174.900 0.056 0.000 0.995 341 G CA 0.072 45.204 45.100 0.052 0.000 0.651 341 G HN 1.450 nan 8.290 nan 0.000 0.511 342 A N -0.182 122.676 122.820 0.065 0.000 2.293 342 A HA 0.829 5.148 4.320 -0.001 0.000 0.302 342 A C 0.270 177.882 177.584 0.046 0.000 1.119 342 A CA -0.198 51.877 52.037 0.063 0.000 0.823 342 A CB 1.556 20.605 19.000 0.082 0.000 1.097 342 A HN 1.060 nan 8.150 nan 0.000 0.491 343 V N 1.900 121.838 119.914 0.040 0.000 2.439 343 V HA 0.396 4.516 4.120 -0.001 0.000 0.282 343 V C -0.316 175.786 176.094 0.014 0.000 1.039 343 V CA -0.235 62.081 62.300 0.027 0.000 0.913 343 V CB 1.281 33.122 31.823 0.029 0.000 0.983 343 V HN 0.583 nan 8.190 nan 0.000 0.460 344 V N 6.052 125.966 119.914 -0.001 0.000 2.444 344 V HA 0.586 4.706 4.120 -0.001 0.000 0.294 344 V C -0.318 175.748 176.094 -0.046 0.000 1.022 344 V CA -0.563 61.722 62.300 -0.025 0.000 0.850 344 V CB 1.872 33.680 31.823 -0.026 0.000 0.992 344 V HN 0.739 nan 8.190 nan 0.000 0.426 345 V N 3.561 123.427 119.914 -0.080 0.000 2.735 345 V HA 0.779 4.899 4.120 -0.001 0.000 0.310 345 V C -2.677 173.325 176.094 -0.153 0.000 1.061 345 V CA -2.605 59.621 62.300 -0.123 0.000 0.913 345 V CB 2.263 33.974 31.823 -0.187 0.000 1.005 345 V HN 0.666 nan 8.190 nan 0.000 0.428 346 P HA 0.412 nan 4.420 nan 0.000 0.276 346 P C -0.570 176.640 177.300 -0.149 0.000 1.235 346 P CA 0.084 63.117 63.100 -0.112 0.000 0.772 346 P CB 1.512 33.168 31.700 -0.073 0.000 0.871 347 V N 0.161 120.008 119.914 -0.112 0.000 3.114 347 V HA 0.601 4.720 4.120 -0.001 0.000 0.308 347 V C -0.806 175.275 176.094 -0.023 0.000 1.168 347 V CA -1.107 61.145 62.300 -0.081 0.000 1.015 347 V CB 2.475 34.242 31.823 -0.093 0.000 1.050 347 V HN 0.394 nan 8.190 nan 0.000 0.433 348 E N 1.637 121.844 120.200 0.012 0.000 2.183 348 E HA 0.541 4.890 4.350 -0.001 0.000 0.271 348 E C -1.352 175.270 176.600 0.037 0.000 0.919 348 E CA -0.954 55.456 56.400 0.016 0.000 0.781 348 E CB 2.562 32.271 29.700 0.015 0.000 1.140 348 E HN 0.711 nan 8.360 nan 0.000 0.402 349 L N 5.002 126.248 121.223 0.038 0.000 2.369 349 L HA 0.274 4.613 4.340 -0.001 0.000 0.279 349 L C -2.475 174.437 176.870 0.070 0.000 1.108 349 L CA -1.490 53.391 54.840 0.068 0.000 0.852 349 L CB 0.202 42.316 42.059 0.092 0.000 1.169 349 L HN 0.284 nan 8.230 nan 0.000 0.452 350 P HA 0.160 nan 4.420 nan 0.000 0.268 350 P C -0.347 177.011 177.300 0.097 0.000 1.205 350 P CA 0.177 63.318 63.100 0.068 0.000 0.771 350 P CB 0.367 32.107 31.700 0.066 0.000 0.858 351 N N -0.591 118.138 118.700 0.049 0.000 2.782 351 N HA -0.195 4.544 4.740 -0.001 0.000 0.251 351 N C 0.027 175.482 175.510 -0.092 0.000 1.101 351 N CA 0.687 53.755 53.050 0.030 0.000 0.764 351 N CB -1.343 37.229 38.487 0.142 0.000 1.122 351 N HN 0.587 nan 8.380 nan 0.000 0.561 352 Q N 0.984 120.722 119.800 -0.103 0.000 2.362 352 Q HA 0.252 4.592 4.340 -0.001 0.000 0.305 352 Q C 1.338 176.969 176.000 -0.615 0.000 1.120 352 Q CA 1.795 57.443 55.803 -0.259 0.000 1.011 352 Q CB -0.556 28.111 28.738 -0.117 0.000 1.048 352 Q HN 0.477 nan 8.270 nan 0.000 0.386 353 G N 2.808 110.794 108.800 -1.356 0.000 2.189 353 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.267 353 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.267 353 G C 0.807 175.066 174.900 -1.068 0.000 0.975 353 G CA 0.495 44.820 45.100 -1.291 0.000 0.644 353 G HN 1.289 nan 8.290 nan 0.000 0.537 354 A N -0.110 122.202 122.820 -0.847 0.000 2.121 354 A HA 0.210 4.529 4.320 -0.001 0.000 0.218 354 A C 1.855 179.301 177.584 -0.231 0.000 1.154 354 A CA 1.859 53.671 52.037 -0.375 0.000 0.679 354 A CB -0.703 18.200 19.000 -0.161 0.000 0.795 354 A HN 1.515 nan 8.150 nan 0.000 0.458 355 W N -1.827 119.445 121.300 -0.046 0.000 3.256 355 W HA 0.554 5.214 4.660 -0.001 0.000 0.269 355 W C 1.564 178.061 176.519 -0.037 0.000 1.310 355 W CA -0.243 57.074 57.345 -0.047 0.000 1.673 355 W CB -0.761 28.663 29.460 -0.060 0.000 1.115 355 W HN 0.198 nan 8.180 nan 0.000 0.686 356 A N 1.613 124.318 122.820 -0.193 0.000 1.884 356 A HA -0.354 3.965 4.320 -0.001 0.000 0.219 356 A C 2.126 179.733 177.584 0.039 0.000 1.197 356 A CA 2.480 54.484 52.037 -0.055 0.000 0.637 356 A CB -1.079 17.824 19.000 -0.162 0.000 0.827 356 A HN 0.538 nan 8.150 nan 0.000 0.450 357 E N -0.511 119.694 120.200 0.009 0.000 2.051 357 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 357 E C 2.152 178.791 176.600 0.065 0.000 0.991 357 E CA 1.086 57.505 56.400 0.032 0.000 0.799 357 E CB -0.291 29.415 29.700 0.010 0.000 0.748 357 E HN 0.543 nan 8.360 nan 0.000 0.449 358 A N 1.148 124.011 122.820 0.071 0.000 1.933 358 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 358 A C 2.084 179.720 177.584 0.086 0.000 1.175 358 A CA 1.714 53.791 52.037 0.066 0.000 0.628 358 A CB -0.611 18.423 19.000 0.057 0.000 0.814 358 A HN 0.482 nan 8.150 nan 0.000 0.444 359 E N -0.255 120.024 120.200 0.132 0.000 2.077 359 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 359 E C 2.277 178.956 176.600 0.132 0.000 0.989 359 E CA 1.188 57.664 56.400 0.128 0.000 0.800 359 E CB -0.195 29.626 29.700 0.202 0.000 0.746 359 E HN 0.594 nan 8.360 nan 0.000 0.452 360 R N -0.130 120.454 120.500 0.140 0.000 2.083 360 R HA -0.141 4.198 4.340 -0.001 0.000 0.237 360 R C 2.205 178.624 176.300 0.198 0.000 1.137 360 R CA 2.158 58.354 56.100 0.160 0.000 0.951 360 R CB -0.398 29.970 30.300 0.113 0.000 0.851 360 R HN 0.172 nan 8.270 nan 0.000 0.434 361 T N 2.134 116.797 114.554 0.183 0.000 2.674 361 T HA -0.156 4.193 4.350 -0.001 0.000 0.265 361 T C 1.754 176.658 174.700 0.339 0.000 1.039 361 T CA 1.684 63.938 62.100 0.257 0.000 1.150 361 T CB -0.290 68.685 68.868 0.178 0.000 0.864 361 T HN 0.408 nan 8.240 nan 0.000 0.427 362 L N 0.388 121.746 121.223 0.225 0.000 2.083 362 L HA 0.091 4.431 4.340 -0.001 0.000 0.209 362 L C 2.174 179.159 176.870 0.192 0.000 1.083 362 L CA 1.566 56.571 54.840 0.275 0.000 0.752 362 L CB -1.189 40.928 42.059 0.097 0.000 0.899 362 L HN 0.160 nan 8.230 nan 0.000 0.433 363 L N -0.702 120.591 121.223 0.115 0.000 2.046 363 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 363 L C 2.697 179.609 176.870 0.071 0.000 1.077 363 L CA 1.273 56.095 54.840 -0.030 0.000 0.747 363 L CB -0.591 41.439 42.059 -0.048 0.000 0.896 363 L HN 0.346 nan 8.230 nan 0.000 0.432 364 L N -1.667 119.748 121.223 0.319 0.000 2.017 364 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 364 L C 2.614 179.606 176.870 0.202 0.000 1.073 364 L CA 1.526 56.579 54.840 0.355 0.000 0.745 364 L CB -0.659 41.555 42.059 0.259 0.000 0.894 364 L HN 0.134 nan 8.230 nan 0.000 0.432 365 Y N 0.334 120.656 120.300 0.036 0.000 2.163 365 Y HA -0.225 4.325 4.550 -0.001 0.000 0.288 365 Y C 2.644 178.425 175.900 -0.200 0.000 1.136 365 Y CA 1.430 59.447 58.100 -0.139 0.000 1.147 365 Y CB -0.280 37.946 38.460 -0.391 0.000 0.987 365 Y HN 0.190 nan 8.280 nan 0.000 0.509 366 E N -1.047 119.123 120.200 -0.050 0.000 2.150 366 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 366 E C 1.850 178.410 176.600 -0.067 0.000 0.985 366 E CA 0.925 57.226 56.400 -0.165 0.000 0.814 366 E CB -0.354 29.052 29.700 -0.491 0.000 0.752 366 E HN 0.419 nan 8.360 nan 0.000 0.466 367 F N 2.405 122.243 119.950 -0.187 0.000 2.102 367 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 367 F C 2.234 177.970 175.800 -0.106 0.000 1.105 367 F CA 1.597 59.487 58.000 -0.183 0.000 1.239 367 F CB -0.051 38.834 39.000 -0.190 0.000 0.991 367 F HN -0.239 nan 8.300 nan 0.000 0.474 368 K N 0.289 120.594 120.400 -0.159 0.000 2.002 368 K HA -0.153 4.166 4.320 -0.001 0.000 0.209 368 K C 2.263 178.721 176.600 -0.238 0.000 1.048 368 K CA 1.347 57.474 56.287 -0.266 0.000 0.930 368 K CB -0.533 31.894 32.500 -0.122 0.000 0.714 368 K HN 0.311 nan 8.250 nan 0.000 0.438 369 A N 0.752 123.497 122.820 -0.124 0.000 1.877 369 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 369 A C 2.397 179.947 177.584 -0.058 0.000 1.186 369 A CA 2.040 54.043 52.037 -0.056 0.000 0.620 369 A CB -1.342 17.677 19.000 0.032 0.000 0.822 369 A HN 0.575 nan 8.150 nan 0.000 0.443 370 G N -0.490 108.282 108.800 -0.046 0.000 2.402 370 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.216 370 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.216 370 G C 1.504 176.308 174.900 -0.160 0.000 1.162 370 G CA 1.146 46.233 45.100 -0.021 0.000 0.777 370 G HN 0.462 nan 8.290 nan 0.000 0.539 371 L N 0.734 121.703 121.223 -0.424 0.000 2.046 371 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 371 L C 2.682 179.162 176.870 -0.650 0.000 1.077 371 L CA 2.013 56.437 54.840 -0.693 0.000 0.747 371 L CB -0.523 40.851 42.059 -1.142 0.000 0.896 371 L HN 0.350 nan 8.230 nan 0.000 0.432 372 E N -0.793 119.178 120.200 -0.383 0.000 2.106 372 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 372 E C 2.259 178.842 176.600 -0.029 0.000 0.984 372 E CA 1.012 57.331 56.400 -0.135 0.000 0.806 372 E CB -0.197 29.463 29.700 -0.067 0.000 0.750 372 E HN 0.469 nan 8.360 nan 0.000 0.458 373 R N 0.343 120.819 120.500 -0.041 0.000 2.075 373 R HA -0.196 4.144 4.340 -0.001 0.000 0.232 373 R C 2.332 178.660 176.300 0.046 0.000 1.126 373 R CA 1.263 57.366 56.100 0.005 0.000 0.963 373 R CB -0.318 29.987 30.300 0.008 0.000 0.858 373 R HN 0.199 nan 8.270 nan 0.000 0.435 374 Y N 0.392 120.660 120.300 -0.053 0.000 2.145 374 Y HA -0.226 4.324 4.550 -0.001 0.000 0.286 374 Y C 1.649 177.676 175.900 0.212 0.000 1.145 374 Y CA 1.638 59.788 58.100 0.084 0.000 1.148 374 Y CB -0.393 38.084 38.460 0.028 0.000 0.981 374 Y HN -0.003 nan 8.280 nan 0.000 0.507 375 F N 0.933 121.020 119.950 0.229 0.000 2.126 375 F HA -0.253 4.273 4.527 -0.001 0.000 0.299 375 F C 2.619 178.390 175.800 -0.048 0.000 1.096 375 F CA 1.510 59.547 58.000 0.063 0.000 1.255 375 F CB -1.364 37.646 39.000 0.017 0.000 0.997 375 F HN 0.294 nan 8.300 nan 0.000 0.479 376 N N 0.019 118.808 118.700 0.148 0.000 2.135 376 N HA -0.146 4.593 4.740 -0.001 0.000 0.186 376 N C 1.672 177.153 175.510 -0.049 0.000 1.027 376 N CA 1.933 55.005 53.050 0.037 0.000 0.849 376 N CB -0.247 38.252 38.487 0.020 0.000 1.002 376 N HN 0.188 nan 8.380 nan 0.000 0.425 377 T N 0.289 114.758 114.554 -0.142 0.000 2.720 377 T HA -0.105 4.244 4.350 -0.001 0.000 0.268 377 T C 1.052 175.488 174.700 -0.440 0.000 1.037 377 T CA 1.121 63.024 62.100 -0.328 0.000 1.144 377 T CB -0.297 68.275 68.868 -0.495 0.000 0.864 377 T HN 0.418 nan 8.240 nan 0.000 0.444 378 H N 0.439 119.443 119.070 -0.110 0.000 2.549 378 H HA 0.326 4.881 4.556 -0.001 0.000 0.279 378 H C 0.253 175.660 175.328 0.131 0.000 1.018 378 H CA -0.070 55.969 56.048 -0.015 0.000 1.175 378 H CB 0.182 29.899 29.762 -0.075 0.000 1.485 378 H HN 0.316 nan 8.280 nan 0.000 0.543 379 R N 0.561 121.128 120.500 0.112 0.000 3.188 379 R HA -0.133 4.207 4.340 -0.001 0.000 0.247 379 R C 0.093 176.447 176.300 0.089 0.000 0.918 379 R CA 0.338 56.491 56.100 0.087 0.000 0.629 379 R CB -1.661 28.689 30.300 0.082 0.000 1.087 379 R HN 0.315 nan 8.270 nan 0.000 0.462 380 A N 1.754 124.521 122.820 -0.088 0.000 2.313 380 A HA 0.399 4.718 4.320 -0.001 0.000 0.261 380 A C -0.543 176.819 177.584 -0.369 0.000 1.090 380 A CA -0.977 50.741 52.037 -0.531 0.000 0.807 380 A CB 0.135 18.621 19.000 -0.857 0.000 1.055 380 A HN 0.216 nan 8.150 nan 0.000 0.492 381 P HA 0.012 nan 4.420 nan 0.000 0.226 381 P C -0.105 177.003 177.300 -0.320 0.000 1.153 381 P CA 0.927 63.881 63.100 -0.243 0.000 0.777 381 P CB 0.001 31.599 31.700 -0.171 0.000 0.794 382 L N -0.121 120.756 121.223 -0.578 0.000 2.309 382 L HA 0.368 4.708 4.340 -0.001 0.000 0.282 382 L C 1.668 178.138 176.870 -0.667 0.000 1.036 382 L CA -0.654 53.779 54.840 -0.678 0.000 0.806 382 L CB 1.749 43.163 42.059 -1.075 0.000 1.220 382 L HN -0.275 nan 8.230 nan 0.000 0.429 383 R N 0.473 120.792 120.500 -0.302 0.000 2.344 383 R HA 0.170 4.509 4.340 -0.001 0.000 0.209 383 R C 0.041 176.392 176.300 0.085 0.000 0.886 383 R CA 0.114 56.165 56.100 -0.082 0.000 1.040 383 R CB 0.795 31.067 30.300 -0.047 0.000 1.114 383 R HN 0.752 nan 8.270 nan 0.000 0.547 384 S N -1.179 114.567 115.700 0.076 0.000 2.625 384 S HA 0.188 4.658 4.470 -0.001 0.000 0.271 384 S C 0.172 174.860 174.600 0.147 0.000 1.161 384 S CA -0.891 57.390 58.200 0.134 0.000 0.820 384 S CB 1.378 64.605 63.200 0.045 0.000 1.137 384 S HN -0.028 nan 8.310 nan 0.000 0.470 385 L N 1.507 122.771 121.223 0.069 0.000 2.141 385 L HA 0.261 4.600 4.340 -0.001 0.000 0.209 385 L C 2.560 179.442 176.870 0.020 0.000 1.094 385 L CA 2.475 57.322 54.840 0.011 0.000 0.763 385 L CB -1.502 40.515 42.059 -0.070 0.000 0.908 385 L HN 0.975 nan 8.230 nan 0.000 0.437 386 A N -0.774 122.057 122.820 0.019 0.000 1.933 386 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 386 A C 1.968 179.572 177.584 0.033 0.000 1.175 386 A CA 1.831 53.880 52.037 0.021 0.000 0.628 386 A CB -0.720 18.288 19.000 0.014 0.000 0.814 386 A HN 0.523 nan 8.150 nan 0.000 0.444 387 D N -0.427 119.988 120.400 0.026 0.000 2.144 387 D HA -0.127 4.512 4.640 -0.001 0.000 0.199 387 D C 1.843 178.181 176.300 0.063 0.000 0.984 387 D CA 1.308 55.323 54.000 0.026 0.000 0.834 387 D CB -0.370 40.408 40.800 -0.036 0.000 0.955 387 D HN 0.386 nan 8.370 nan 0.000 0.465 388 L N 0.932 122.176 121.223 0.034 0.000 2.027 388 L HA -0.066 4.274 4.340 -0.001 0.000 0.206 388 L C 2.146 179.092 176.870 0.126 0.000 1.074 388 L CA 1.274 56.145 54.840 0.052 0.000 0.745 388 L CB -0.527 41.501 42.059 -0.053 0.000 0.898 388 L HN -0.047 nan 8.230 nan 0.000 0.433 389 I N -0.240 120.375 120.570 0.075 0.000 2.208 389 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 389 I C 2.566 178.746 176.117 0.106 0.000 1.097 389 I CA 1.245 62.592 61.300 0.078 0.000 1.363 389 I CB -0.637 37.389 38.000 0.044 0.000 1.051 389 I HN 0.382 nan 8.210 nan 0.000 0.413 390 A N 0.470 123.354 122.820 0.107 0.000 1.930 390 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 390 A C 2.220 179.896 177.584 0.153 0.000 1.175 390 A CA 1.281 53.379 52.037 0.101 0.000 0.627 390 A CB -0.901 18.148 19.000 0.082 0.000 0.815 390 A HN 0.457 nan 8.150 nan 0.000 0.443 391 F N 1.622 121.616 119.950 0.074 0.000 2.102 391 F HA -0.203 4.324 4.527 -0.001 0.000 0.298 391 F C 1.997 177.912 175.800 0.191 0.000 1.105 391 F CA 2.073 60.149 58.000 0.127 0.000 1.239 391 F CB -0.248 38.776 39.000 0.041 0.000 0.991 391 F HN 0.205 nan 8.300 nan 0.000 0.474 392 N N 0.500 119.414 118.700 0.358 0.000 2.166 392 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 392 N C 1.782 177.349 175.510 0.095 0.000 1.019 392 N CA 1.525 54.723 53.050 0.245 0.000 0.856 392 N CB -0.529 38.104 38.487 0.243 0.000 0.993 392 N HN 0.557 nan 8.380 nan 0.000 0.426 393 Q N 0.228 120.068 119.800 0.067 0.000 2.119 393 Q HA 0.073 4.412 4.340 -0.001 0.000 0.201 393 Q C 1.949 177.927 176.000 -0.037 0.000 0.972 393 Q CA 1.322 57.135 55.803 0.016 0.000 0.847 393 Q CB -0.083 28.665 28.738 0.017 0.000 0.903 393 Q HN 0.375 nan 8.270 nan 0.000 0.433 394 A N 0.385 123.167 122.820 -0.064 0.000 2.066 394 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 394 A C 0.504 177.849 177.584 -0.399 0.000 1.157 394 A CA 1.053 52.971 52.037 -0.198 0.000 0.670 394 A CB -0.189 18.694 19.000 -0.195 0.000 0.804 394 A HN 0.327 nan 8.150 nan 0.000 0.453 395 H N -0.938 117.955 119.070 -0.295 0.000 2.505 395 H HA 0.214 4.769 4.556 -0.001 0.000 0.260 395 H C 1.662 176.929 175.328 -0.102 0.000 1.168 395 H CA 0.218 56.117 56.048 -0.248 0.000 0.945 395 H CB 0.263 29.764 29.762 -0.436 0.000 1.800 395 H HN 0.498 nan 8.280 nan 0.000 0.586 396 S N 0.087 115.783 115.700 -0.006 0.000 2.387 396 S HA -0.295 4.174 4.470 -0.001 0.000 0.230 396 S C 2.153 176.763 174.600 0.016 0.000 1.035 396 S CA 1.518 59.724 58.200 0.009 0.000 1.014 396 S CB 0.144 63.334 63.200 -0.016 0.000 0.836 396 S HN 0.289 nan 8.310 nan 0.000 0.466 397 K N 1.419 121.824 120.400 0.008 0.000 2.097 397 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 397 K C 2.048 178.684 176.600 0.060 0.000 1.049 397 K CA 1.746 58.044 56.287 0.019 0.000 0.933 397 K CB -0.487 32.016 32.500 0.006 0.000 0.717 397 K HN 0.442 nan 8.250 nan 0.000 0.442 398 Q N -0.339 119.520 119.800 0.100 0.000 2.339 398 Q HA 0.123 4.462 4.340 -0.001 0.000 0.205 398 Q C 1.505 177.641 176.000 0.227 0.000 0.925 398 Q CA 0.862 56.760 55.803 0.158 0.000 0.898 398 Q CB 0.470 29.306 28.738 0.164 0.000 1.013 398 Q HN 0.278 nan 8.270 nan 0.000 0.504 399 E N -0.420 119.897 120.200 0.195 0.000 2.244 399 E HA 0.164 4.513 4.350 -0.001 0.000 0.196 399 E C 0.581 177.236 176.600 0.092 0.000 0.939 399 E CA 0.481 57.023 56.400 0.236 0.000 0.884 399 E CB 0.683 30.533 29.700 0.249 0.000 0.850 399 E HN 0.271 nan 8.360 nan 0.000 0.481 400 L N 0.355 121.581 121.223 0.004 0.000 3.062 400 L HA 0.358 4.697 4.340 -0.001 0.000 0.255 400 L C 1.553 178.346 176.870 -0.129 0.000 1.274 400 L CA -0.158 54.619 54.840 -0.105 0.000 1.047 400 L CB 0.658 42.690 42.059 -0.045 0.000 1.402 400 L HN 0.024 nan 8.230 nan 0.000 0.550 401 G N -0.001 108.716 108.800 -0.138 0.000 2.494 401 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.216 401 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.216 401 G C 1.360 176.157 174.900 -0.172 0.000 1.140 401 G CA 0.265 45.293 45.100 -0.119 0.000 0.801 401 G HN 0.261 nan 8.290 nan 0.000 0.536 402 L N -1.133 119.896 121.223 -0.323 0.000 2.316 402 L HA 0.376 4.716 4.340 -0.001 0.000 0.207 402 L C 0.577 177.451 176.870 0.007 0.000 1.070 402 L CA 0.197 54.898 54.840 -0.232 0.000 0.820 402 L CB 0.041 41.833 42.059 -0.445 0.000 0.992 402 L HN 0.343 nan 8.230 nan 0.000 0.466 403 F N -2.777 117.060 119.950 -0.189 0.000 2.779 403 F HA 0.739 5.266 4.527 -0.001 0.000 0.316 403 F C 0.172 175.948 175.800 -0.039 0.000 1.164 403 F CA -1.161 56.780 58.000 -0.098 0.000 0.924 403 F CB 0.142 39.090 39.000 -0.087 0.000 1.348 403 F HN -0.188 nan 8.300 nan 0.000 0.467 404 G N -0.242 108.638 108.800 0.133 0.000 2.531 404 G HA2 0.491 4.450 3.960 -0.001 0.000 0.253 404 G HA3 0.491 4.450 3.960 -0.001 0.000 0.253 404 G C -0.921 174.026 174.900 0.078 0.000 1.439 404 G CA -0.228 44.897 45.100 0.043 0.000 1.056 404 G HN 0.975 nan 8.290 nan 0.000 0.555 405 Q N -1.218 118.615 119.800 0.055 0.000 2.227 405 Q HA 0.321 4.661 4.340 -0.001 0.000 0.332 405 Q C 0.217 176.221 176.000 0.006 0.000 0.878 405 Q CA -0.147 55.687 55.803 0.052 0.000 1.120 405 Q CB 0.800 29.567 28.738 0.049 0.000 1.315 405 Q HN 0.471 nan 8.270 nan 0.000 0.414 406 E N 0.988 121.187 120.200 -0.002 0.000 2.160 406 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 406 E C 1.423 177.963 176.600 -0.101 0.000 0.991 406 E CA 1.439 57.814 56.400 -0.041 0.000 0.810 406 E CB 0.010 29.688 29.700 -0.037 0.000 0.742 406 E HN 0.470 nan 8.360 nan 0.000 0.466 407 L N 0.067 121.177 121.223 -0.189 0.000 2.109 407 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 407 L C 2.222 178.951 176.870 -0.235 0.000 1.086 407 L CA 0.703 55.319 54.840 -0.372 0.000 0.760 407 L CB -0.355 41.219 42.059 -0.809 0.000 0.910 407 L HN 0.183 nan 8.230 nan 0.000 0.437 408 L N -0.986 120.162 121.223 -0.125 0.000 2.046 408 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 408 L C 2.564 179.456 176.870 0.036 0.000 1.077 408 L CA 0.895 55.755 54.840 0.032 0.000 0.747 408 L CB -0.665 41.403 42.059 0.016 0.000 0.896 408 L HN 0.071 nan 8.230 nan 0.000 0.432 409 V N 0.154 120.066 119.914 -0.005 0.000 2.295 409 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 409 V C 2.501 178.588 176.094 -0.010 0.000 1.049 409 V CA 2.126 64.424 62.300 -0.004 0.000 1.024 409 V CB -0.462 31.355 31.823 -0.009 0.000 0.648 409 V HN 0.509 nan 8.190 nan 0.000 0.447 410 E N 0.221 120.405 120.200 -0.026 0.000 2.072 410 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 410 E C 2.201 178.792 176.600 -0.015 0.000 0.985 410 E CA 1.260 57.644 56.400 -0.026 0.000 0.801 410 E CB -0.261 29.415 29.700 -0.039 0.000 0.750 410 E HN 0.552 nan 8.360 nan 0.000 0.452 411 A N 0.913 123.757 122.820 0.040 0.000 1.933 411 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 411 A C 1.930 179.520 177.584 0.009 0.000 1.175 411 A CA 1.842 53.940 52.037 0.101 0.000 0.628 411 A CB -0.655 18.583 19.000 0.396 0.000 0.814 411 A HN 0.391 nan 8.150 nan 0.000 0.444 412 D N -0.305 120.105 120.400 0.016 0.000 2.263 412 D HA 0.030 4.669 4.640 -0.001 0.000 0.208 412 D C 1.675 177.943 176.300 -0.054 0.000 0.971 412 D CA 1.179 55.166 54.000 -0.021 0.000 0.867 412 D CB -0.109 40.689 40.800 -0.004 0.000 0.929 412 D HN 0.357 nan 8.370 nan 0.000 0.492 413 A N -0.320 122.462 122.820 -0.064 0.000 2.251 413 A HA 0.144 4.464 4.320 -0.001 0.000 0.209 413 A C 1.013 178.517 177.584 -0.133 0.000 1.187 413 A CA 0.497 52.490 52.037 -0.073 0.000 0.823 413 A CB -0.722 18.249 19.000 -0.047 0.000 0.846 413 A HN 0.322 nan 8.150 nan 0.000 0.486 414 T N -2.878 111.530 114.554 -0.244 0.000 2.919 414 T HA 0.515 4.864 4.350 -0.001 0.000 0.302 414 T C 1.223 175.744 174.700 -0.298 0.000 1.031 414 T CA -0.081 61.721 62.100 -0.498 0.000 1.127 414 T CB 1.556 69.798 68.868 -1.045 0.000 0.952 414 T HN 0.412 nan 8.240 nan 0.000 0.540 415 A N 3.183 125.904 122.820 -0.165 0.000 1.845 415 A HA 0.532 4.851 4.320 -0.001 0.000 0.215 415 A C 1.389 178.999 177.584 0.043 0.000 1.195 415 A CA 1.058 53.104 52.037 0.015 0.000 0.616 415 A CB -1.093 17.984 19.000 0.128 0.000 0.832 415 A HN 1.867 nan 8.150 nan 0.000 0.443 416 G N -3.308 105.588 108.800 0.159 0.000 2.320 416 G HA2 0.330 4.289 3.960 -0.001 0.000 0.297 416 G HA3 0.330 4.289 3.960 -0.001 0.000 0.297 416 G C -0.002 175.014 174.900 0.194 0.000 1.344 416 G CA -0.331 44.846 45.100 0.130 0.000 0.851 416 G HN 0.336 nan 8.290 nan 0.000 0.567 417 L N 0.432 121.687 121.223 0.054 0.000 2.551 417 L HA 0.132 4.471 4.340 -0.001 0.000 0.228 417 L C 2.670 179.664 176.870 0.207 0.000 1.153 417 L CA 1.336 56.175 54.840 -0.002 0.000 0.851 417 L CB -0.240 41.846 42.059 0.045 0.000 0.959 417 L HN 0.682 nan 8.230 nan 0.000 0.451 418 A N -1.555 121.358 122.820 0.154 0.000 2.238 418 A HA -0.038 4.282 4.320 -0.001 0.000 0.210 418 A C 0.787 178.451 177.584 0.134 0.000 1.179 418 A CA -0.143 51.975 52.037 0.135 0.000 0.827 418 A CB -0.162 18.892 19.000 0.090 0.000 0.856 418 A HN 0.226 nan 8.150 nan 0.000 0.488 419 D N 0.564 121.063 120.400 0.166 0.000 2.434 419 D HA 0.099 4.739 4.640 -0.001 0.000 0.252 419 D C -1.627 174.720 176.300 0.078 0.000 1.185 419 D CA -1.481 52.603 54.000 0.139 0.000 0.886 419 D CB 1.182 42.116 40.800 0.223 0.000 1.148 419 D HN 0.016 nan 8.370 nan 0.000 0.483 420 P HA -0.150 nan 4.420 nan 0.000 0.216 420 P C 0.926 178.208 177.300 -0.031 0.000 1.150 420 P CA 1.634 64.740 63.100 0.010 0.000 0.843 420 P CB 0.190 31.900 31.700 0.017 0.000 0.787 421 A N -1.359 121.449 122.820 -0.019 0.000 1.933 421 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 421 A C 2.281 179.777 177.584 -0.146 0.000 1.175 421 A CA 1.585 53.594 52.037 -0.046 0.000 0.628 421 A CB -1.843 17.169 19.000 0.020 0.000 0.814 421 A HN 0.215 nan 8.150 nan 0.000 0.444 422 Y N 0.513 120.573 120.300 -0.400 0.000 2.163 422 Y HA -0.124 4.426 4.550 -0.001 0.000 0.288 422 Y C 1.928 177.674 175.900 -0.256 0.000 1.136 422 Y CA 1.467 59.222 58.100 -0.575 0.000 1.147 422 Y CB -0.381 37.476 38.460 -1.006 0.000 0.987 422 Y HN 0.243 nan 8.280 nan 0.000 0.509 423 I N 0.437 120.736 120.570 -0.451 0.000 2.208 423 I HA -0.364 3.806 4.170 -0.001 0.000 0.245 423 I C 2.541 178.463 176.117 -0.326 0.000 1.097 423 I CA 1.712 62.760 61.300 -0.420 0.000 1.363 423 I CB -0.463 37.455 38.000 -0.137 0.000 1.051 423 I HN 0.235 nan 8.210 nan 0.000 0.413 424 R N 0.734 121.106 120.500 -0.214 0.000 2.081 424 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 424 R C 2.491 178.696 176.300 -0.160 0.000 1.131 424 R CA 1.480 57.494 56.100 -0.144 0.000 0.960 424 R CB -0.526 29.723 30.300 -0.086 0.000 0.856 424 R HN 0.371 nan 8.270 nan 0.000 0.436 425 A N 1.468 124.171 122.820 -0.195 0.000 1.877 425 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 425 A C 2.192 179.666 177.584 -0.184 0.000 1.186 425 A CA 1.511 53.460 52.037 -0.148 0.000 0.620 425 A CB -0.533 18.400 19.000 -0.112 0.000 0.822 425 A HN 0.251 nan 8.150 nan 0.000 0.443 426 R N -0.557 119.731 120.500 -0.353 0.000 2.083 426 R HA -0.136 4.204 4.340 -0.001 0.000 0.237 426 R C 2.518 178.706 176.300 -0.186 0.000 1.137 426 R CA 1.877 57.790 56.100 -0.310 0.000 0.951 426 R CB -0.372 29.618 30.300 -0.516 0.000 0.851 426 R HN 0.511 nan 8.270 nan 0.000 0.434 427 S N 0.245 115.838 115.700 -0.179 0.000 2.355 427 S HA -0.138 4.332 4.470 -0.001 0.000 0.222 427 S C 1.352 175.906 174.600 -0.078 0.000 1.031 427 S CA 1.615 59.750 58.200 -0.109 0.000 0.993 427 S CB -0.280 62.863 63.200 -0.095 0.000 0.859 427 S HN 0.388 nan 8.310 nan 0.000 0.453 428 D N 1.474 121.833 120.400 -0.068 0.000 2.097 428 D HA -0.021 4.619 4.640 -0.001 0.000 0.195 428 D C 2.270 178.567 176.300 -0.005 0.000 0.989 428 D CA 1.347 55.331 54.000 -0.027 0.000 0.827 428 D CB -0.735 40.057 40.800 -0.013 0.000 0.966 428 D HN 0.488 nan 8.370 nan 0.000 0.456 429 A N 1.141 123.952 122.820 -0.016 0.000 1.883 429 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 429 A C 2.207 179.715 177.584 -0.126 0.000 1.186 429 A CA 1.984 54.018 52.037 -0.005 0.000 0.624 429 A CB -0.462 18.523 19.000 -0.026 0.000 0.822 429 A HN 0.053 nan 8.150 nan 0.000 0.444 430 R N 0.136 120.549 120.500 -0.145 0.000 2.091 430 R HA -0.116 4.223 4.340 -0.001 0.000 0.238 430 R C 2.305 178.500 176.300 -0.175 0.000 1.136 430 R CA 2.111 58.095 56.100 -0.193 0.000 0.959 430 R CB -0.703 29.517 30.300 -0.132 0.000 0.856 430 R HN 0.605 nan 8.270 nan 0.000 0.437 431 R N -0.179 120.265 120.500 -0.094 0.000 2.066 431 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 431 R C 2.236 178.514 176.300 -0.037 0.000 1.131 431 R CA 1.690 57.758 56.100 -0.054 0.000 0.955 431 R CB -0.369 29.917 30.300 -0.023 0.000 0.851 431 R HN 0.289 nan 8.270 nan 0.000 0.432 432 L N 0.153 121.380 121.223 0.007 0.000 2.083 432 L HA -0.094 4.245 4.340 -0.001 0.000 0.209 432 L C 2.642 179.567 176.870 0.091 0.000 1.083 432 L CA 1.347 56.255 54.840 0.113 0.000 0.752 432 L CB -0.409 41.803 42.059 0.255 0.000 0.899 432 L HN 0.351 nan 8.230 nan 0.000 0.433 433 A N -0.503 122.193 122.820 -0.207 0.000 1.975 433 A HA 0.137 4.457 4.320 -0.001 0.000 0.215 433 A C 2.084 179.392 177.584 -0.461 0.000 1.170 433 A CA 1.159 52.818 52.037 -0.630 0.000 0.656 433 A CB -0.611 17.647 19.000 -1.236 0.000 0.821 433 A HN 0.397 nan 8.150 nan 0.000 0.449 434 G N -0.467 108.082 108.800 -0.417 0.000 2.548 434 G HA2 0.222 4.182 3.960 -0.001 0.000 0.221 434 G HA3 0.222 4.182 3.960 -0.001 0.000 0.221 434 G C -0.798 174.077 174.900 -0.043 0.000 1.796 434 G CA 0.551 45.402 45.100 -0.414 0.000 0.889 434 G HN 0.269 nan 8.290 nan 0.000 0.599 435 P HA -0.087 nan 4.420 nan 0.000 0.216 435 P C 1.205 178.532 177.300 0.046 0.000 1.157 435 P CA 1.491 64.626 63.100 0.059 0.000 0.880 435 P CB 0.057 31.782 31.700 0.040 0.000 0.791 436 E N -1.838 118.379 120.200 0.028 0.000 2.463 436 E HA 0.184 4.534 4.350 -0.001 0.000 0.193 436 E C 1.384 178.023 176.600 0.065 0.000 1.041 436 E CA -0.010 56.416 56.400 0.044 0.000 0.879 436 E CB 0.110 29.835 29.700 0.042 0.000 0.997 436 E HN 0.241 nan 8.360 nan 0.000 0.478 437 G N 0.656 109.488 108.800 0.053 0.000 2.542 437 G HA2 0.074 4.034 3.960 -0.001 0.000 0.208 437 G HA3 0.074 4.034 3.960 -0.001 0.000 0.208 437 G C 1.146 176.091 174.900 0.074 0.000 1.976 437 G CA -0.306 44.845 45.100 0.084 0.000 0.722 437 G HN 0.013 nan 8.290 nan 0.000 0.798 438 I N 1.591 122.188 120.570 0.046 0.000 2.163 438 I HA -0.164 4.006 4.170 -0.001 0.000 0.243 438 I C 2.197 178.390 176.117 0.128 0.000 1.085 438 I CA 1.473 62.833 61.300 0.100 0.000 1.347 438 I CB -0.113 37.980 38.000 0.154 0.000 1.044 438 I HN 0.156 nan 8.210 nan 0.000 0.408 439 D N 0.909 121.403 120.400 0.157 0.000 2.144 439 D HA -0.127 4.512 4.640 -0.001 0.000 0.200 439 D C 2.233 178.583 176.300 0.083 0.000 0.978 439 D CA 1.469 55.544 54.000 0.125 0.000 0.833 439 D CB -0.128 40.756 40.800 0.140 0.000 0.961 439 D HN 0.374 nan 8.370 nan 0.000 0.470 440 A N 1.147 124.012 122.820 0.076 0.000 1.898 440 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 440 A C 2.328 179.953 177.584 0.068 0.000 1.181 440 A CA 2.004 54.078 52.037 0.061 0.000 0.620 440 A CB -0.564 18.471 19.000 0.057 0.000 0.819 440 A HN 0.235 nan 8.150 nan 0.000 0.442 441 A N -0.231 122.639 122.820 0.084 0.000 1.898 441 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 441 A C 2.152 179.802 177.584 0.110 0.000 1.181 441 A CA 1.381 53.479 52.037 0.102 0.000 0.620 441 A CB -0.583 18.472 19.000 0.091 0.000 0.819 441 A HN 0.460 nan 8.150 nan 0.000 0.442 442 L N -0.781 120.495 121.223 0.089 0.000 2.046 442 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 442 L C 3.059 179.973 176.870 0.074 0.000 1.077 442 L CA 1.132 56.021 54.840 0.081 0.000 0.747 442 L CB -0.526 41.571 42.059 0.064 0.000 0.896 442 L HN 0.437 nan 8.230 nan 0.000 0.432 443 A N -0.086 122.768 122.820 0.057 0.000 1.929 443 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 443 A C 2.533 180.122 177.584 0.009 0.000 1.176 443 A CA 1.352 53.409 52.037 0.034 0.000 0.628 443 A CB -0.604 18.412 19.000 0.027 0.000 0.816 443 A HN 0.373 nan 8.150 nan 0.000 0.444 444 A N -1.548 121.275 122.820 0.006 0.000 1.978 444 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 444 A C 1.696 179.108 177.584 -0.286 0.000 1.170 444 A CA 1.580 53.553 52.037 -0.106 0.000 0.636 444 A CB -0.560 18.406 19.000 -0.057 0.000 0.810 444 A HN 0.668 nan 8.150 nan 0.000 0.448 445 H N -2.273 116.808 119.070 0.019 0.000 2.767 445 H HA 0.206 4.762 4.556 -0.001 0.000 0.260 445 H C -0.189 175.151 175.328 0.020 0.000 1.172 445 H CA 0.314 56.373 56.048 0.018 0.000 1.048 445 H CB 0.095 29.867 29.762 0.016 0.000 1.697 445 H HN 0.692 nan 8.280 nan 0.000 0.606 446 Q N 1.599 121.452 119.800 0.089 0.000 2.447 446 Q HA -0.174 4.165 4.340 -0.001 0.000 0.348 446 Q C -1.080 174.967 176.000 0.079 0.000 1.421 446 Q CA 0.046 55.888 55.803 0.066 0.000 0.978 446 Q CB -1.102 27.665 28.738 0.048 0.000 1.191 446 Q HN 0.482 nan 8.270 nan 0.000 0.371 447 L N 0.452 121.726 121.223 0.085 0.000 2.375 447 L HA 0.343 4.683 4.340 -0.001 0.000 0.268 447 L C 1.168 178.075 176.870 0.062 0.000 1.058 447 L CA -0.830 54.055 54.840 0.075 0.000 0.803 447 L CB 0.820 42.924 42.059 0.076 0.000 1.212 447 L HN 0.226 nan 8.230 nan 0.000 0.451 448 D N 0.588 121.026 120.400 0.064 0.000 2.338 448 D HA 0.251 4.890 4.640 -0.001 0.000 0.208 448 D C 0.237 176.583 176.300 0.076 0.000 0.997 448 D CA 0.593 54.632 54.000 0.066 0.000 0.880 448 D CB 1.189 42.033 40.800 0.075 0.000 0.980 448 D HN 0.562 nan 8.370 nan 0.000 0.509 449 A N 0.161 123.030 122.820 0.083 0.000 2.601 449 A HA 0.610 4.929 4.320 -0.001 0.000 0.291 449 A C -1.816 175.801 177.584 0.055 0.000 1.075 449 A CA -0.626 51.469 52.037 0.096 0.000 0.671 449 A CB 0.831 19.940 19.000 0.181 0.000 1.277 449 A HN 0.022 nan 8.150 nan 0.000 0.417 450 L N 0.929 122.176 121.223 0.039 0.000 2.346 450 L HA 0.804 5.143 4.340 -0.001 0.000 0.274 450 L C -0.281 176.537 176.870 -0.087 0.000 1.007 450 L CA -1.130 53.703 54.840 -0.012 0.000 0.818 450 L CB 1.806 43.875 42.059 0.016 0.000 1.284 450 L HN 0.824 nan 8.230 nan 0.000 0.424 451 V N -0.184 119.628 119.914 -0.170 0.000 3.040 451 V HA 1.078 5.198 4.120 -0.001 0.000 0.312 451 V C -0.551 175.415 176.094 -0.214 0.000 1.115 451 V CA -0.460 61.651 62.300 -0.316 0.000 0.998 451 V CB 1.769 33.249 31.823 -0.571 0.000 1.042 451 V HN 1.022 nan 8.190 nan 0.000 0.433 452 A N 2.737 125.427 122.820 -0.217 0.000 2.522 452 A HA 0.876 5.195 4.320 -0.001 0.000 0.291 452 A C -3.442 174.071 177.584 -0.117 0.000 1.039 452 A CA -1.103 50.853 52.037 -0.134 0.000 0.643 452 A CB 0.992 19.948 19.000 -0.072 0.000 1.310 452 A HN 0.712 nan 8.150 nan 0.000 0.436 453 P HA 0.284 nan 4.420 nan 0.000 0.271 453 P C 0.745 178.035 177.300 -0.017 0.000 1.216 453 P CA 0.286 63.344 63.100 -0.070 0.000 0.776 453 P CB 0.730 32.381 31.700 -0.083 0.000 0.881 454 T N -0.466 114.098 114.554 0.016 0.000 2.737 454 T HA -0.025 4.325 4.350 -0.001 0.000 0.265 454 T C 0.908 175.723 174.700 0.192 0.000 1.038 454 T CA 1.572 63.739 62.100 0.112 0.000 1.144 454 T CB -0.152 68.764 68.868 0.080 0.000 0.866 454 T HN 0.567 nan 8.240 nan 0.000 0.434 455 T N -1.699 112.914 114.554 0.097 0.000 2.661 455 T HA 0.528 4.877 4.350 -0.001 0.000 0.305 455 T C -0.269 174.361 174.700 -0.117 0.000 1.535 455 T CA -0.157 62.031 62.100 0.147 0.000 1.000 455 T CB 0.722 69.793 68.868 0.337 0.000 1.811 455 T HN 0.218 nan 8.240 nan 0.000 0.471 456 G N 0.215 108.914 108.800 -0.168 0.000 2.531 456 G HA2 0.605 4.564 3.960 -0.001 0.000 0.253 456 G HA3 0.605 4.564 3.960 -0.001 0.000 0.253 456 G C 0.296 175.047 174.900 -0.248 0.000 1.439 456 G CA 0.106 44.565 45.100 -1.068 0.000 1.056 456 G HN 1.323 nan 8.290 nan 0.000 0.555 457 V N -2.502 117.343 119.914 -0.114 0.000 3.109 457 V HA 0.805 4.925 4.120 -0.001 0.000 0.317 457 V C 0.786 177.165 176.094 0.476 0.000 1.074 457 V CA -0.683 61.729 62.300 0.187 0.000 1.033 457 V CB 0.838 32.757 31.823 0.159 0.000 1.111 457 V HN 1.259 nan 8.190 nan 0.000 0.458 458 A N 2.070 125.051 122.820 0.268 0.000 2.520 458 A HA 0.455 4.774 4.320 -0.001 0.000 0.235 458 A C -0.219 177.585 177.584 0.367 0.000 1.065 458 A CA 0.317 52.423 52.037 0.115 0.000 0.764 458 A CB -0.427 18.558 19.000 -0.026 0.000 1.002 458 A HN 1.460 nan 8.150 nan 0.000 0.502 459 W N 0.481 121.918 121.300 0.229 0.000 2.736 459 W HA 0.679 5.338 4.660 -0.001 0.000 0.355 459 W C -3.137 173.209 176.519 -0.288 0.000 1.102 459 W CA -3.255 54.123 57.345 0.055 0.000 1.164 459 W CB -0.178 29.333 29.460 0.085 0.000 1.422 459 W HN 0.342 nan 8.180 nan 0.000 0.572 460 P HA 0.013 nan 4.420 nan 0.000 0.264 460 P C 0.929 178.179 177.300 -0.083 0.000 1.193 460 P CA 0.322 63.145 63.100 -0.461 0.000 0.763 460 P CB 0.739 32.299 31.700 -0.233 0.000 0.810 461 I N 2.870 123.378 120.570 -0.103 0.000 2.163 461 I HA -0.243 3.926 4.170 -0.001 0.000 0.243 461 I C 1.755 177.916 176.117 0.074 0.000 1.085 461 I CA 1.524 62.830 61.300 0.009 0.000 1.347 461 I CB -0.318 37.690 38.000 0.014 0.000 1.044 461 I HN 0.347 nan 8.210 nan 0.000 0.408 462 R N 1.063 121.588 120.500 0.041 0.000 2.526 462 R HA 0.045 4.385 4.340 -0.001 0.000 0.223 462 R C 0.000 176.325 176.300 0.042 0.000 1.250 462 R CA 0.204 56.327 56.100 0.038 0.000 1.227 462 R CB -0.297 30.020 30.300 0.027 0.000 1.109 462 R HN 0.493 nan 8.270 nan 0.000 0.499 468 F N 1.218 121.125 119.950 -0.073 0.000 2.546 468 F HA 0.333 4.860 4.527 -0.001 0.000 0.388 468 F C -1.672 174.121 175.800 -0.012 0.000 1.051 468 F CA -1.203 56.800 58.000 0.006 0.000 1.130 468 F CB 0.246 39.260 39.000 0.024 0.000 1.044 468 F HN 0.223 nan 8.300 nan 0.000 0.553 469 P HA 0.097 nan 4.420 nan 0.000 0.265 469 P C 0.659 177.993 177.300 0.056 0.000 1.193 469 P CA 0.665 63.807 63.100 0.070 0.000 0.765 469 P CB 0.826 32.557 31.700 0.051 0.000 0.823 470 G N 1.212 110.010 108.800 -0.003 0.000 2.179 470 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.220 470 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.220 470 G C -0.005 174.870 174.900 -0.042 0.000 0.990 470 G CA -0.477 44.612 45.100 -0.019 0.000 0.646 470 G HN 0.539 nan 8.290 nan 0.000 0.517 471 E N 0.325 120.481 120.200 -0.073 0.000 2.404 471 E HA 0.512 4.862 4.350 -0.001 0.000 0.261 471 E C 0.706 177.179 176.600 -0.212 0.000 1.074 471 E CA 0.478 56.784 56.400 -0.157 0.000 0.917 471 E CB 0.875 30.389 29.700 -0.309 0.000 0.965 471 E HN 0.154 nan 8.360 nan 0.000 0.433 472 S N 0.544 116.134 115.700 -0.183 0.000 2.604 472 S HA -0.031 4.439 4.470 -0.001 0.000 0.235 472 S C 1.194 175.768 174.600 -0.044 0.000 1.043 472 S CA -0.390 57.765 58.200 -0.076 0.000 0.997 472 S CB 0.103 63.303 63.200 0.000 0.000 0.956 472 S HN 0.599 nan 8.310 nan 0.000 0.535 473 Y N 1.431 121.775 120.300 0.073 0.000 2.403 473 Y HA 0.066 4.616 4.550 -0.001 0.000 0.291 473 Y C 2.140 178.071 175.900 0.052 0.000 1.143 473 Y CA 0.718 58.850 58.100 0.054 0.000 1.257 473 Y CB -1.011 37.477 38.460 0.047 0.000 0.984 473 Y HN 0.228 nan 8.280 nan 0.000 0.550 474 S N 0.650 116.341 115.700 -0.015 0.000 2.399 474 S HA -0.175 4.294 4.470 -0.001 0.000 0.231 474 S C 2.335 176.920 174.600 -0.025 0.000 1.022 474 S CA 1.076 59.357 58.200 0.134 0.000 0.983 474 S CB -0.751 62.592 63.200 0.238 0.000 0.803 474 S HN 0.712 nan 8.310 nan 0.000 0.480 475 A N 1.373 124.176 122.820 -0.029 0.000 1.883 475 A HA 0.114 4.433 4.320 -0.001 0.000 0.217 475 A C 2.487 179.832 177.584 -0.398 0.000 1.186 475 A CA 1.972 53.749 52.037 -0.432 0.000 0.624 475 A CB -1.445 17.488 19.000 -0.111 0.000 0.822 475 A HN 0.766 nan 8.150 nan 0.000 0.444 476 A N -0.339 122.393 122.820 -0.146 0.000 1.898 476 A HA 0.201 4.520 4.320 -0.001 0.000 0.216 476 A C 2.511 180.009 177.584 -0.144 0.000 1.181 476 A CA 2.037 54.015 52.037 -0.099 0.000 0.620 476 A CB -1.014 18.006 19.000 0.033 0.000 0.819 476 A HN 1.061 nan 8.150 nan 0.000 0.442 477 A N -0.521 122.244 122.820 -0.092 0.000 1.877 477 A HA -0.031 4.288 4.320 -0.001 0.000 0.216 477 A C 2.208 179.676 177.584 -0.193 0.000 1.186 477 A CA 1.918 53.904 52.037 -0.084 0.000 0.620 477 A CB -0.935 18.075 19.000 0.017 0.000 0.822 477 A HN 0.421 nan 8.150 nan 0.000 0.443 478 V N -0.424 119.289 119.914 -0.334 0.000 2.548 478 V HA -0.138 3.981 4.120 -0.001 0.000 0.249 478 V C 2.881 178.691 176.094 -0.474 0.000 1.055 478 V CA 1.686 63.724 62.300 -0.438 0.000 1.065 478 V CB -0.963 30.398 31.823 -0.770 0.000 0.681 478 V HN 0.597 nan 8.190 nan 0.000 0.462 479 A N -0.403 122.056 122.820 -0.601 0.000 2.119 479 A HA 0.317 4.637 4.320 -0.001 0.000 0.216 479 A C 2.033 179.269 177.584 -0.580 0.000 1.152 479 A CA 1.136 52.708 52.037 -0.776 0.000 0.708 479 A CB -0.533 17.687 19.000 -1.300 0.000 0.805 479 A HN 1.241 nan 8.150 nan 0.000 0.460 480 G N -2.376 106.233 108.800 -0.320 0.000 2.147 480 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.244 480 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.244 480 G C -0.146 174.761 174.900 0.010 0.000 1.005 480 G CA 0.367 45.386 45.100 -0.135 0.000 0.713 480 G HN 0.344 nan 8.290 nan 0.000 0.515 481 Y N 0.398 120.572 120.300 -0.211 0.000 2.403 481 Y HA 0.558 5.108 4.550 -0.001 0.000 0.323 481 Y C -1.630 174.172 175.900 -0.162 0.000 1.226 481 Y CA -3.300 54.669 58.100 -0.218 0.000 1.235 481 Y CB 0.992 39.349 38.460 -0.171 0.000 1.248 481 Y HN 0.020 nan 8.280 nan 0.000 0.489 482 P HA 0.162 nan 4.420 nan 0.000 0.275 482 P C -0.876 176.446 177.300 0.036 0.000 1.227 482 P CA -0.163 62.927 63.100 -0.017 0.000 0.781 482 P CB 1.377 33.043 31.700 -0.057 0.000 0.906 483 S N 2.755 118.478 115.700 0.038 0.000 2.564 483 S HA 0.780 5.249 4.470 -0.001 0.000 0.274 483 S C -1.129 173.512 174.600 0.068 0.000 1.124 483 S CA -0.881 57.365 58.200 0.077 0.000 0.869 483 S CB 1.688 64.940 63.200 0.086 0.000 1.105 483 S HN 0.525 nan 8.310 nan 0.000 0.472 484 L N 1.528 122.822 121.223 0.118 0.000 2.543 484 L HA 0.632 4.971 4.340 -0.001 0.000 0.265 484 L C -1.091 175.889 176.870 0.183 0.000 0.945 484 L CA -0.074 54.826 54.840 0.100 0.000 0.869 484 L CB 2.217 44.299 42.059 0.039 0.000 1.294 484 L HN 0.963 nan 8.230 nan 0.000 0.405 485 T N 3.557 118.189 114.554 0.129 0.000 2.824 485 T HA 0.741 5.090 4.350 -0.001 0.000 0.280 485 T C -1.074 173.717 174.700 0.151 0.000 0.995 485 T CA -0.313 61.878 62.100 0.152 0.000 1.009 485 T CB 1.221 70.138 68.868 0.082 0.000 0.955 485 T HN 0.314 nan 8.240 nan 0.000 0.452 486 V N 7.313 127.352 119.914 0.208 0.000 2.656 486 V HA 0.452 4.571 4.120 -0.001 0.000 0.307 486 V C -2.368 173.852 176.094 0.210 0.000 1.051 486 V CA -2.267 60.165 62.300 0.221 0.000 0.893 486 V CB 1.880 33.909 31.823 0.343 0.000 0.999 486 V HN 0.776 nan 8.190 nan 0.000 0.426 487 P HA 0.141 nan 4.420 nan 0.000 0.264 487 P C 0.294 177.709 177.300 0.191 0.000 1.193 487 P CA 0.291 63.464 63.100 0.121 0.000 0.763 487 P CB 0.274 32.023 31.700 0.081 0.000 0.810 488 M N 1.570 121.257 119.600 0.146 0.000 2.340 488 M HA 0.504 4.983 4.480 -0.001 0.000 0.345 488 M C 0.371 176.733 176.300 0.103 0.000 1.008 488 M CA 0.060 55.478 55.300 0.198 0.000 0.987 488 M CB 0.990 33.703 32.600 0.187 0.000 1.598 488 M HN 0.389 nan 8.290 nan 0.000 0.569 489 G N 0.589 109.418 108.800 0.049 0.000 2.320 489 G HA2 0.203 4.163 3.960 -0.001 0.000 0.274 489 G HA3 0.203 4.163 3.960 -0.001 0.000 0.274 489 G C -2.215 172.675 174.900 -0.017 0.000 1.324 489 G CA -0.857 44.255 45.100 0.020 0.000 0.957 489 G HN 0.397 nan 8.290 nan 0.000 0.481 490 Q N -1.172 118.618 119.800 -0.017 0.000 2.462 490 Q HA 0.695 5.035 4.340 -0.001 0.000 0.285 490 Q C -1.228 174.766 176.000 -0.010 0.000 1.035 490 Q CA -0.819 54.962 55.803 -0.037 0.000 0.799 490 Q CB 3.062 31.771 28.738 -0.048 0.000 1.452 490 Q HN 0.534 nan 8.270 nan 0.000 0.404 491 I N 1.774 122.341 120.570 -0.005 0.000 2.439 491 I HA 0.203 4.372 4.170 -0.001 0.000 0.285 491 I C -0.824 175.302 176.117 0.015 0.000 1.021 491 I CA -0.386 60.926 61.300 0.021 0.000 1.091 491 I CB 1.668 39.706 38.000 0.063 0.000 1.242 491 I HN 0.664 nan 8.210 nan 0.000 0.439 492 D N 5.243 125.648 120.400 0.008 0.000 2.772 492 D HA -0.199 4.441 4.640 -0.001 0.000 0.233 492 D C 1.117 177.410 176.300 -0.011 0.000 1.143 492 D CA 1.530 55.530 54.000 0.001 0.000 0.700 492 D CB -0.859 39.947 40.800 0.011 0.000 1.076 492 D HN 1.172 nan 8.370 nan 0.000 0.430 493 G N -1.122 107.671 108.800 -0.012 0.000 2.179 493 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.260 493 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.260 493 G C 0.271 175.155 174.900 -0.028 0.000 0.977 493 G CA 0.457 45.552 45.100 -0.008 0.000 0.641 493 G HN 0.472 nan 8.290 nan 0.000 0.533 494 L N 1.109 122.296 121.223 -0.060 0.000 2.307 494 L HA 0.462 4.801 4.340 -0.001 0.000 0.284 494 L C -2.135 174.630 176.870 -0.176 0.000 1.023 494 L CA -2.397 52.372 54.840 -0.119 0.000 0.810 494 L CB 1.881 43.918 42.059 -0.036 0.000 1.231 494 L HN -0.165 nan 8.230 nan 0.000 0.423 495 P HA 0.071 nan 4.420 nan 0.000 0.267 495 P C -0.946 176.270 177.300 -0.140 0.000 1.200 495 P CA -0.032 62.895 63.100 -0.289 0.000 0.772 495 P CB 0.869 32.288 31.700 -0.468 0.000 0.855 496 V N 2.424 122.284 119.914 -0.089 0.000 2.789 496 V HA 0.761 4.880 4.120 -0.001 0.000 0.311 496 V C 0.502 176.582 176.094 -0.023 0.000 1.073 496 V CA -0.457 61.809 62.300 -0.056 0.000 0.921 496 V CB 2.242 34.035 31.823 -0.050 0.000 1.009 496 V HN 0.721 nan 8.190 nan 0.000 0.426 497 G N 2.054 110.847 108.800 -0.011 0.000 2.511 497 G HA2 0.678 4.638 3.960 -0.001 0.000 0.318 497 G HA3 0.678 4.638 3.960 -0.001 0.000 0.318 497 G C -1.787 173.115 174.900 0.003 0.000 1.210 497 G CA -0.733 44.380 45.100 0.022 0.000 0.969 497 G HN 0.582 nan 8.290 nan 0.000 0.484 498 L N 0.996 122.226 121.223 0.012 0.000 2.287 498 L HA 0.661 5.000 4.340 -0.001 0.000 0.287 498 L C -0.622 176.222 176.870 -0.042 0.000 1.022 498 L CA -0.883 53.893 54.840 -0.107 0.000 0.814 498 L CB 1.385 43.279 42.059 -0.276 0.000 1.217 498 L HN 0.411 nan 8.230 nan 0.000 0.420 499 L N 5.375 126.539 121.223 -0.098 0.000 2.312 499 L HA 0.594 4.933 4.340 -0.001 0.000 0.281 499 L C -1.292 175.504 176.870 -0.123 0.000 1.070 499 L CA 0.394 55.238 54.840 0.007 0.000 0.805 499 L CB 0.755 42.842 42.059 0.046 0.000 1.174 499 L HN 0.472 nan 8.230 nan 0.000 0.434 500 F N 5.442 125.389 119.950 -0.005 0.000 2.482 500 F HA 0.645 5.172 4.527 -0.001 0.000 0.331 500 F C -0.007 175.804 175.800 0.018 0.000 1.115 500 F CA -0.441 57.557 58.000 -0.003 0.000 0.955 500 F CB 1.773 40.773 39.000 -0.000 0.000 1.136 500 F HN 0.303 nan 8.300 nan 0.000 0.452 501 M N 2.255 121.959 119.600 0.174 0.000 2.457 501 M HA 0.727 5.206 4.480 -0.001 0.000 0.300 501 M C -0.109 176.257 176.300 0.112 0.000 1.141 501 M CA -0.559 54.818 55.300 0.128 0.000 0.901 501 M CB 2.628 35.288 32.600 0.099 0.000 1.687 501 M HN 0.761 nan 8.290 nan 0.000 0.449 502 G N 0.355 109.204 108.800 0.081 0.000 2.866 502 G HA2 0.587 4.546 3.960 -0.001 0.000 0.289 502 G HA3 0.587 4.546 3.960 -0.001 0.000 0.289 502 G C -1.276 173.585 174.900 -0.065 0.000 1.396 502 G CA -0.371 44.746 45.100 0.029 0.000 0.848 502 G HN 0.557 nan 8.290 nan 0.000 0.515 503 T N -0.648 113.788 114.554 -0.197 0.000 2.788 503 T HA 0.527 4.876 4.350 -0.001 0.000 0.280 503 T C 1.055 175.290 174.700 -0.774 0.000 0.984 503 T CA 0.548 62.285 62.100 -0.606 0.000 0.972 503 T CB 0.263 68.898 68.868 -0.388 0.000 1.039 503 T HN 1.277 nan 8.240 nan 0.000 0.530 504 A N 0.976 123.031 122.820 -1.276 0.000 2.565 504 A HA 0.244 4.563 4.320 -0.001 0.000 0.237 504 A C 0.380 177.642 177.584 -0.537 0.000 1.053 504 A CA 0.640 52.084 52.037 -0.988 0.000 0.755 504 A CB -1.150 17.284 19.000 -0.943 0.000 0.980 504 A HN 1.143 nan 8.150 nan 0.000 0.506 505 W N 0.194 121.414 121.300 -0.133 0.000 3.160 505 W HA -0.285 4.374 4.660 -0.001 0.000 0.299 505 W C 1.388 177.860 176.519 -0.078 0.000 1.141 505 W CA 0.592 57.887 57.345 -0.083 0.000 0.612 505 W CB -2.120 27.292 29.460 -0.080 0.000 2.186 505 W HN 1.080 nan 8.180 nan 0.000 1.364 506 S N -1.118 114.597 115.700 0.023 0.000 2.660 506 S HA 0.175 4.645 4.470 -0.001 0.000 0.227 506 S C 1.207 175.835 174.600 0.046 0.000 0.948 506 S CA 0.597 58.813 58.200 0.026 0.000 0.948 506 S CB 0.154 63.342 63.200 -0.020 0.000 0.779 506 S HN 0.289 nan 8.310 nan 0.000 0.487 507 E N 2.828 123.068 120.200 0.068 0.000 2.097 507 E HA -0.069 4.280 4.350 -0.001 0.000 0.196 507 E C -0.788 175.894 176.600 0.137 0.000 1.000 507 E CA 1.711 58.148 56.400 0.060 0.000 0.804 507 E CB -1.563 28.140 29.700 0.005 0.000 0.740 507 E HN 0.481 nan 8.360 nan 0.000 0.454 508 P HA -0.211 nan 4.420 nan 0.000 0.215 508 P C 1.105 178.494 177.300 0.149 0.000 1.157 508 P CA 1.508 64.753 63.100 0.243 0.000 0.868 508 P CB 0.048 31.818 31.700 0.117 0.000 0.788 509 K N -0.163 120.294 120.400 0.096 0.000 2.057 509 K HA -0.083 4.236 4.320 -0.001 0.000 0.206 509 K C 2.034 178.667 176.600 0.054 0.000 1.050 509 K CA 1.058 57.390 56.287 0.074 0.000 0.935 509 K CB -0.576 31.961 32.500 0.063 0.000 0.715 509 K HN 0.069 nan 8.250 nan 0.000 0.439 510 L N 0.873 122.119 121.223 0.039 0.000 2.083 510 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 510 L C 2.404 179.220 176.870 -0.090 0.000 1.083 510 L CA 1.059 55.891 54.840 -0.014 0.000 0.752 510 L CB -0.333 41.728 42.059 0.003 0.000 0.899 510 L HN 0.238 nan 8.230 nan 0.000 0.433 511 I N -0.293 120.269 120.570 -0.013 0.000 2.252 511 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 511 I C 2.447 178.581 176.117 0.029 0.000 1.102 511 I CA 1.231 62.530 61.300 -0.001 0.000 1.385 511 I CB -0.240 37.800 38.000 0.067 0.000 1.064 511 I HN 0.287 nan 8.210 nan 0.000 0.414 512 E N 0.624 120.858 120.200 0.057 0.000 2.058 512 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 512 E C 2.284 178.938 176.600 0.090 0.000 0.997 512 E CA 1.490 57.944 56.400 0.091 0.000 0.801 512 E CB -0.181 29.571 29.700 0.088 0.000 0.746 512 E HN 0.487 nan 8.360 nan 0.000 0.450 513 M N 0.442 120.053 119.600 0.017 0.000 2.132 513 M HA -0.110 4.369 4.480 -0.001 0.000 0.263 513 M C 2.556 178.768 176.300 -0.146 0.000 1.065 513 M CA 1.400 56.702 55.300 0.003 0.000 1.122 513 M CB -0.245 32.386 32.600 0.052 0.000 1.365 513 M HN 0.125 nan 8.290 nan 0.000 0.411 514 A N -0.498 122.043 122.820 -0.465 0.000 1.902 514 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 514 A C 2.023 179.580 177.584 -0.045 0.000 1.181 514 A CA 1.421 53.115 52.037 -0.572 0.000 0.623 514 A CB -1.049 17.587 19.000 -0.606 0.000 0.818 514 A HN 0.569 nan 8.150 nan 0.000 0.443 515 Y N 0.637 120.886 120.300 -0.084 0.000 2.145 515 Y HA -0.071 4.478 4.550 -0.001 0.000 0.286 515 Y C 2.650 178.560 175.900 0.016 0.000 1.145 515 Y CA 1.211 59.303 58.100 -0.013 0.000 1.148 515 Y CB -0.564 37.893 38.460 -0.005 0.000 0.981 515 Y HN 0.302 nan 8.280 nan 0.000 0.507 516 A N -0.519 122.341 122.820 0.067 0.000 1.908 516 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 516 A C 2.157 179.733 177.584 -0.014 0.000 1.181 516 A CA 1.828 53.868 52.037 0.005 0.000 0.627 516 A CB -1.579 17.484 19.000 0.106 0.000 0.818 516 A HN 0.736 nan 8.150 nan 0.000 0.445 517 Y N 0.455 120.748 120.300 -0.010 0.000 2.163 517 Y HA -0.165 4.384 4.550 -0.001 0.000 0.288 517 Y C 2.316 178.208 175.900 -0.014 0.000 1.136 517 Y CA 2.117 60.245 58.100 0.048 0.000 1.147 517 Y CB -0.393 38.192 38.460 0.208 0.000 0.987 517 Y HN 0.495 nan 8.280 nan 0.000 0.509 518 E N -0.442 119.643 120.200 -0.191 0.000 2.085 518 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 518 E C 1.967 178.365 176.600 -0.338 0.000 0.994 518 E CA 1.470 57.709 56.400 -0.269 0.000 0.801 518 E CB -0.048 29.596 29.700 -0.094 0.000 0.743 518 E HN 0.516 nan 8.360 nan 0.000 0.453 519 Q N -0.006 119.552 119.800 -0.403 0.000 2.291 519 Q HA -0.158 4.181 4.340 -0.001 0.000 0.205 519 Q C 2.051 177.904 176.000 -0.245 0.000 0.970 519 Q CA 1.492 57.074 55.803 -0.368 0.000 0.876 519 Q CB -0.180 28.250 28.738 -0.513 0.000 0.935 519 Q HN 0.486 nan 8.270 nan 0.000 0.455 520 R N -0.506 119.844 120.500 -0.250 0.000 2.334 520 R HA 0.110 4.449 4.340 -0.001 0.000 0.216 520 R C 1.461 177.634 176.300 -0.211 0.000 0.905 520 R CA 1.089 57.079 56.100 -0.183 0.000 1.064 520 R CB 0.057 30.282 30.300 -0.126 0.000 1.046 520 R HN 0.141 nan 8.270 nan 0.000 0.508 521 T N -2.879 111.486 114.554 -0.316 0.000 3.058 521 T HA 0.183 4.533 4.350 -0.001 0.000 0.247 521 T C 0.646 175.237 174.700 -0.182 0.000 0.987 521 T CA -0.539 61.388 62.100 -0.288 0.000 1.062 521 T CB 0.126 68.684 68.868 -0.517 0.000 1.048 521 T HN 0.053 nan 8.240 nan 0.000 0.468 522 R N 1.443 121.833 120.500 -0.184 0.000 3.301 522 R HA -0.144 4.196 4.340 -0.001 0.000 0.249 522 R C 1.153 177.424 176.300 -0.049 0.000 0.964 522 R CA 0.654 56.698 56.100 -0.094 0.000 0.653 522 R CB -2.361 27.896 30.300 -0.071 0.000 1.043 522 R HN 0.732 nan 8.270 nan 0.000 0.454 523 A N 0.440 123.235 122.820 -0.042 0.000 2.066 523 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 523 A C 1.330 178.930 177.584 0.027 0.000 1.157 523 A CA 0.690 52.728 52.037 0.002 0.000 0.670 523 A CB -0.056 18.962 19.000 0.030 0.000 0.804 523 A HN 0.451 nan 8.150 nan 0.000 0.453 524 R N 0.728 121.251 120.500 0.039 0.000 2.585 524 R HA 0.107 4.446 4.340 -0.001 0.000 0.275 524 R C -0.826 175.520 176.300 0.077 0.000 1.018 524 R CA 0.259 56.397 56.100 0.063 0.000 1.072 524 R CB 0.260 30.607 30.300 0.079 0.000 0.953 524 R HN 0.164 nan 8.270 nan 0.000 0.419 525 R N 5.231 125.799 120.500 0.114 0.000 2.532 525 R HA 0.391 4.731 4.340 -0.001 0.000 0.297 525 R C -2.440 173.993 176.300 0.223 0.000 0.984 525 R CA -2.231 53.950 56.100 0.135 0.000 0.884 525 R CB 1.792 32.164 30.300 0.120 0.000 1.182 525 R HN 0.645 nan 8.270 nan 0.000 0.442 526 P HA 0.174 nan 4.420 nan 0.000 0.272 526 P C -2.407 174.815 177.300 -0.129 0.000 1.230 526 P CA -1.107 62.026 63.100 0.055 0.000 0.788 526 P CB 0.038 31.760 31.700 0.037 0.000 0.949 527 P HA 0.071 nan 4.420 nan 0.000 0.274 527 P C -0.490 176.399 177.300 -0.685 0.000 1.231 527 P CA 0.251 62.721 63.100 -1.050 0.000 0.790 527 P CB 0.511 31.262 31.700 -1.581 0.000 0.951 528 H N 2.798 121.499 119.070 -0.615 0.000 2.504 528 H HA 0.360 4.915 4.556 -0.001 0.000 0.322 528 H C -1.011 174.024 175.328 -0.487 0.000 1.055 528 H CA -0.599 55.209 56.048 -0.400 0.000 1.231 528 H CB 0.007 29.661 29.762 -0.179 0.000 1.417 528 H HN 0.193 nan 8.280 nan 0.000 0.472 529 F N 3.333 123.187 119.950 -0.161 0.000 2.397 529 F HA 0.116 4.643 4.527 -0.001 0.000 0.331 529 F C 1.714 177.537 175.800 0.038 0.000 1.090 529 F CA -0.742 57.231 58.000 -0.045 0.000 1.065 529 F CB 1.018 39.950 39.000 -0.113 0.000 1.184 529 F HN 0.515 nan 8.300 nan 0.000 0.499 530 D N 0.564 121.126 120.400 0.270 0.000 2.103 530 D HA -0.099 4.540 4.640 -0.001 0.000 0.190 530 D C 0.732 177.121 176.300 0.148 0.000 0.997 530 D CA 1.663 55.784 54.000 0.202 0.000 0.833 530 D CB -0.157 40.721 40.800 0.130 0.000 0.961 530 D HN 0.463 nan 8.370 nan 0.000 0.447 531 T N 0.000 114.616 114.554 0.104 0.000 3.816 531 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 531 T CA 0.000 62.128 62.100 0.046 0.000 1.349 531 T CB 0.000 68.885 68.868 0.028 0.000 0.612 531 T HN 0.000 nan 8.240 nan 0.000 0.658