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 3c2y_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQXXX DATA SEQUENCE XXXXTKQSEE GVTFKXXXXX SRHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.309 176.300 0.016 0.000 0.893 11 R CA 0.000 56.100 56.100 0.000 0.000 0.921 11 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 12 P HA 0.147 nan 4.420 nan 0.000 0.276 12 P C -0.134 177.215 177.300 0.081 0.000 1.261 12 P CA -0.460 62.669 63.100 0.049 0.000 0.800 12 P CB 0.822 32.551 31.700 0.048 0.000 1.066 13 R N -0.007 120.564 120.500 0.119 0.000 2.103 13 R HA -0.100 4.289 4.340 0.081 0.000 0.242 13 R C -0.276 176.199 176.300 0.291 0.000 1.142 13 R CA 1.324 57.530 56.100 0.176 0.000 0.960 13 R CB -0.150 30.259 30.300 0.181 0.000 0.858 13 R HN 0.537 nan 8.270 nan 0.000 0.439 14 F N -0.679 119.325 119.950 0.090 0.000 2.683 14 F HA 0.274 4.849 4.527 0.080 0.000 0.333 14 F C -1.667 174.197 175.800 0.107 0.000 1.160 14 F CA -0.556 57.510 58.000 0.109 0.000 1.099 14 F CB 1.827 40.907 39.000 0.133 0.000 1.344 14 F HN -0.164 nan 8.300 nan 0.000 0.534 15 S N 6.562 122.025 115.700 -0.394 0.000 2.720 15 S HA 0.553 5.071 4.470 0.081 0.000 0.278 15 S C -1.929 172.484 174.600 -0.312 0.000 1.172 15 S CA -0.356 57.701 58.200 -0.238 0.000 1.019 15 S CB 0.531 63.679 63.200 -0.087 0.000 1.049 15 S HN 0.534 nan 8.310 nan 0.000 0.483 16 F N 4.721 124.445 119.950 -0.377 0.000 2.404 16 F HA 0.727 5.302 4.527 0.080 0.000 0.354 16 F C -0.076 175.656 175.800 -0.115 0.000 1.122 16 F CA -0.522 57.331 58.000 -0.244 0.000 1.080 16 F CB 1.547 40.465 39.000 -0.137 0.000 1.131 16 F HN 0.453 nan 8.300 nan 0.000 0.471 17 S N 7.101 122.493 115.700 -0.513 0.000 2.532 17 S HA 0.657 5.175 4.470 0.081 0.000 0.299 17 S C -0.777 173.424 174.600 -0.665 0.000 1.105 17 S CA -0.696 57.203 58.200 -0.502 0.000 1.018 17 S CB 0.580 63.634 63.200 -0.243 0.000 1.021 17 S HN 0.544 nan 8.310 nan 0.000 0.483 18 I N 4.592 124.807 120.570 -0.592 0.000 2.315 18 I HA 0.371 4.590 4.170 0.081 0.000 0.291 18 I C 1.050 177.027 176.117 -0.232 0.000 1.006 18 I CA -0.488 60.555 61.300 -0.428 0.000 1.265 18 I CB 1.550 39.332 38.000 -0.363 0.000 1.387 18 I HN 0.840 nan 8.210 nan 0.000 0.475 19 A N 5.307 128.021 122.820 -0.176 0.000 2.115 19 A HA 0.699 5.068 4.320 0.081 0.000 0.211 19 A C 0.836 178.368 177.584 -0.088 0.000 1.169 19 A CA 0.550 52.517 52.037 -0.117 0.000 0.787 19 A CB 0.289 19.230 19.000 -0.099 0.000 0.858 19 A HN 0.759 nan 8.150 nan 0.000 0.474 20 A N -0.632 122.136 122.820 -0.086 0.000 2.605 20 A HA 0.716 5.084 4.320 0.081 0.000 0.294 20 A C -0.901 176.650 177.584 -0.056 0.000 1.062 20 A CA -0.764 51.236 52.037 -0.061 0.000 0.682 20 A CB 1.014 19.984 19.000 -0.051 0.000 1.278 20 A HN 0.270 nan 8.150 nan 0.000 0.410 21 R N 0.338 120.819 120.500 -0.032 0.000 2.795 21 R HA 0.741 5.130 4.340 0.081 0.000 0.275 21 R C -1.215 175.094 176.300 0.015 0.000 0.981 21 R CA -0.719 55.373 56.100 -0.012 0.000 0.917 21 R CB 2.615 32.913 30.300 -0.004 0.000 1.202 21 R HN 0.796 nan 8.270 nan 0.000 0.469 22 E N 0.965 121.191 120.200 0.043 0.000 2.334 22 E HA 0.316 4.715 4.350 0.081 0.000 0.280 22 E C 0.057 176.723 176.600 0.111 0.000 0.899 22 E CA 0.047 56.499 56.400 0.086 0.000 0.813 22 E CB 1.204 30.987 29.700 0.139 0.000 1.318 22 E HN 0.777 nan 8.360 nan 0.000 0.399 23 G N 4.661 113.511 108.800 0.084 0.000 2.611 23 G HA2 -0.408 3.601 3.960 0.081 0.000 0.301 23 G HA3 -0.408 3.601 3.960 0.081 0.000 0.301 23 G C 0.679 175.626 174.900 0.078 0.000 1.233 23 G CA 0.568 45.716 45.100 0.080 0.000 0.993 23 G HN 0.603 nan 8.290 nan 0.000 0.553 24 K N 1.354 121.807 120.400 0.088 0.000 2.432 24 K HA 0.416 4.785 4.320 0.081 0.000 0.196 24 K C 1.469 178.122 176.600 0.089 0.000 1.038 24 K CA 0.569 56.906 56.287 0.084 0.000 0.986 24 K CB 0.028 32.574 32.500 0.076 0.000 0.782 24 K HN 0.752 nan 8.250 nan 0.000 0.485 25 A N 1.869 124.744 122.820 0.093 0.000 2.371 25 A HA 0.395 4.763 4.320 0.081 0.000 0.257 25 A C -0.356 177.219 177.584 -0.016 0.000 1.089 25 A CA -0.229 51.820 52.037 0.020 0.000 0.794 25 A CB 0.350 19.309 19.000 -0.070 0.000 1.029 25 A HN 0.154 nan 8.150 nan 0.000 0.488 26 R N -0.124 120.351 120.500 -0.043 0.000 2.725 26 R HA 0.724 5.112 4.340 0.081 0.000 0.277 26 R C -0.651 175.611 176.300 -0.062 0.000 0.987 26 R CA -0.405 55.673 56.100 -0.037 0.000 0.901 26 R CB 2.060 32.368 30.300 0.014 0.000 1.207 26 R HN 0.680 nan 8.270 nan 0.000 0.463 27 T N -0.076 114.434 114.554 -0.073 0.000 2.893 27 T HA 0.847 5.245 4.350 0.081 0.000 0.293 27 T C -0.502 174.156 174.700 -0.070 0.000 1.027 27 T CA 0.030 62.092 62.100 -0.065 0.000 0.988 27 T CB 1.450 70.258 68.868 -0.100 0.000 1.043 27 T HN 0.761 nan 8.240 nan 0.000 0.461 28 G N 1.747 110.524 108.800 -0.037 0.000 2.450 28 G HA2 0.592 4.600 3.960 0.081 0.000 0.273 28 G HA3 0.592 4.600 3.960 0.081 0.000 0.273 28 G C -0.944 173.955 174.900 -0.001 0.000 1.221 28 G CA 0.033 45.084 45.100 -0.082 0.000 0.900 28 G HN 1.171 nan 8.290 nan 0.000 0.483 29 T N -1.636 112.913 114.554 -0.008 0.000 2.933 29 T HA 0.696 5.095 4.350 0.081 0.000 0.305 29 T C -0.995 173.773 174.700 0.113 0.000 1.092 29 T CA -0.514 61.610 62.100 0.041 0.000 1.008 29 T CB 1.849 70.705 68.868 -0.020 0.000 1.102 29 T HN 0.615 nan 8.240 nan 0.000 0.469 30 I N 2.016 122.638 120.570 0.086 0.000 2.330 30 I HA 0.341 4.560 4.170 0.081 0.000 0.289 30 I C 0.115 176.175 176.117 -0.095 0.000 1.001 30 I CA -0.678 60.596 61.300 -0.043 0.000 1.193 30 I CB 1.439 39.395 38.000 -0.072 0.000 1.345 30 I HN 0.657 nan 8.210 nan 0.000 0.461 31 E N 7.678 127.786 120.200 -0.153 0.000 2.174 31 E HA 0.587 4.985 4.350 0.081 0.000 0.282 31 E C -0.750 175.802 176.600 -0.081 0.000 0.992 31 E CA -0.392 55.953 56.400 -0.091 0.000 0.803 31 E CB 1.682 31.340 29.700 -0.071 0.000 1.090 31 E HN 0.477 nan 8.360 nan 0.000 0.396 32 M N 1.551 121.146 119.600 -0.008 0.000 2.691 32 M HA 0.308 4.837 4.480 0.081 0.000 0.293 32 M C 0.763 177.084 176.300 0.035 0.000 1.259 32 M CA -0.869 54.464 55.300 0.055 0.000 0.827 32 M CB 1.767 34.433 32.600 0.109 0.000 1.753 32 M HN 0.258 nan 8.290 nan 0.000 0.465 33 K N 0.342 120.771 120.400 0.048 0.000 2.063 33 K HA -0.083 4.285 4.320 0.081 0.000 0.208 33 K C 1.477 178.068 176.600 -0.015 0.000 1.048 33 K CA 1.605 57.901 56.287 0.014 0.000 0.928 33 K CB 0.003 32.514 32.500 0.017 0.000 0.713 33 K HN 0.440 nan 8.250 nan 0.000 0.442 34 R N 0.004 120.493 120.500 -0.019 0.000 2.313 34 R HA 0.076 4.465 4.340 0.081 0.000 0.199 34 R C 0.422 176.695 176.300 -0.046 0.000 0.958 34 R CA 0.279 56.346 56.100 -0.055 0.000 1.047 34 R CB 0.608 30.861 30.300 -0.077 0.000 0.955 34 R HN 0.266 nan 8.270 nan 0.000 0.481 35 G N -0.679 108.109 108.800 -0.020 0.000 2.369 35 G HA2 0.003 4.012 3.960 0.081 0.000 0.293 35 G HA3 0.003 4.012 3.960 0.081 0.000 0.293 35 G C -1.518 173.379 174.900 -0.005 0.000 1.301 35 G CA -1.042 44.043 45.100 -0.025 0.000 0.913 35 G HN -0.084 nan 8.290 nan 0.000 0.540 36 V N 0.274 120.184 119.914 -0.007 0.000 2.532 36 V HA 0.691 4.860 4.120 0.081 0.000 0.295 36 V C 0.183 176.289 176.094 0.019 0.000 1.041 36 V CA -0.540 61.759 62.300 -0.002 0.000 0.926 36 V CB 1.498 33.314 31.823 -0.012 0.000 0.992 36 V HN 0.626 nan 8.190 nan 0.000 0.457 37 I N 4.324 124.908 120.570 0.024 0.000 2.382 37 I HA 0.468 4.687 4.170 0.081 0.000 0.286 37 I C 0.183 176.328 176.117 0.046 0.000 1.002 37 I CA -0.473 60.852 61.300 0.043 0.000 1.135 37 I CB 1.379 39.405 38.000 0.043 0.000 1.288 37 I HN 0.490 nan 8.210 nan 0.000 0.448 38 R N 3.965 124.493 120.500 0.046 0.000 2.347 38 R HA 0.389 4.778 4.340 0.081 0.000 0.304 38 R C 0.007 176.344 176.300 0.061 0.000 1.072 38 R CA -0.247 55.878 56.100 0.042 0.000 0.980 38 R CB 0.757 31.072 30.300 0.026 0.000 0.986 38 R HN 0.653 nan 8.270 nan 0.000 0.448 39 T N 0.499 115.098 114.554 0.074 0.000 2.885 39 T HA 0.445 4.844 4.350 0.081 0.000 0.285 39 T C -2.601 172.128 174.700 0.048 0.000 1.019 39 T CA -2.887 59.268 62.100 0.091 0.000 1.010 39 T CB 2.116 71.078 68.868 0.157 0.000 1.022 39 T HN 0.190 nan 8.240 nan 0.000 0.466 40 P HA 0.380 nan 4.420 nan 0.000 0.264 40 P C -0.989 176.408 177.300 0.162 0.000 1.193 40 P CA -0.099 63.076 63.100 0.124 0.000 0.763 40 P CB 0.316 32.111 31.700 0.159 0.000 0.810 41 A N 3.832 126.773 122.820 0.202 0.000 2.330 41 A HA 0.639 5.008 4.320 0.081 0.000 0.327 41 A C -1.260 176.517 177.584 0.322 0.000 1.155 41 A CA -0.489 51.661 52.037 0.188 0.000 0.803 41 A CB 0.338 19.386 19.000 0.080 0.000 1.208 41 A HN 0.479 nan 8.150 nan 0.000 0.477 42 F N 2.594 122.639 119.950 0.157 0.000 2.427 42 F HA 0.648 5.221 4.527 0.077 0.000 0.346 42 F C -0.187 175.661 175.800 0.080 0.000 1.120 42 F CA -0.838 57.264 58.000 0.169 0.000 1.033 42 F CB 1.460 40.560 39.000 0.167 0.000 1.126 42 F HN 0.484 nan 8.300 nan 0.000 0.462 43 M N 8.585 127.682 119.600 -0.837 0.000 2.055 43 M HA 0.328 4.857 4.480 0.081 0.000 0.347 43 M C -2.448 173.343 176.300 -0.849 0.000 1.123 43 M CA -1.842 53.070 55.300 -0.646 0.000 1.035 43 M CB 1.100 33.420 32.600 -0.466 0.000 1.484 43 M HN 0.317 nan 8.290 nan 0.000 0.428 44 P HA 0.050 nan 4.420 nan 0.000 0.266 44 P C -0.675 176.451 177.300 -0.290 0.000 1.195 44 P CA -0.190 62.764 63.100 -0.242 0.000 0.768 44 P CB 0.530 32.148 31.700 -0.137 0.000 0.838 45 V N 3.225 123.016 119.914 -0.205 0.000 2.465 45 V HA 0.532 4.700 4.120 0.081 0.000 0.279 45 V C 1.193 177.181 176.094 -0.177 0.000 1.045 45 V CA 0.219 62.406 62.300 -0.188 0.000 0.938 45 V CB 1.054 32.795 31.823 -0.137 0.000 0.986 45 V HN 0.786 nan 8.190 nan 0.000 0.467 46 G N 1.630 110.315 108.800 -0.192 0.000 4.876 46 G HA2 0.266 4.275 3.960 0.081 0.000 0.304 46 G HA3 0.266 4.275 3.960 0.081 0.000 0.304 46 G C 0.879 175.693 174.900 -0.144 0.000 1.396 46 G CA 0.437 45.432 45.100 -0.176 0.000 0.978 46 G HN 0.801 nan 8.290 nan 0.000 0.565 47 T N -2.246 112.217 114.554 -0.151 0.000 2.929 47 T HA 0.057 4.456 4.350 0.081 0.000 0.271 47 T C 1.651 176.277 174.700 -0.123 0.000 1.085 47 T CA 1.501 63.503 62.100 -0.163 0.000 1.125 47 T CB 0.179 68.827 68.868 -0.368 0.000 0.874 47 T HN 0.606 nan 8.240 nan 0.000 0.494 48 A N 0.142 122.900 122.820 -0.102 0.000 2.965 48 A HA 0.815 5.184 4.320 0.081 0.000 0.304 48 A C 1.256 178.839 177.584 -0.002 0.000 1.214 48 A CA 0.170 52.185 52.037 -0.036 0.000 0.977 48 A CB -0.997 17.981 19.000 -0.037 0.000 1.127 48 A HN 1.542 nan 8.150 nan 0.000 0.572 49 A N -0.962 121.854 122.820 -0.006 0.000 2.872 49 A HA -0.091 4.278 4.320 0.081 0.000 0.273 49 A C 0.618 178.172 177.584 -0.050 0.000 1.442 49 A CA 1.452 53.500 52.037 0.017 0.000 0.801 49 A CB -2.276 16.832 19.000 0.180 0.000 1.031 49 A HN 2.062 nan 8.150 nan 0.000 0.582 50 T N -1.486 113.019 114.554 -0.082 0.000 3.097 50 T HA 0.495 4.894 4.350 0.081 0.000 0.332 50 T C -0.599 174.032 174.700 -0.115 0.000 1.269 50 T CA 0.265 62.307 62.100 -0.096 0.000 1.076 50 T CB 1.419 70.237 68.868 -0.084 0.000 1.209 50 T HN 1.167 nan 8.240 nan 0.000 0.474 51 V N 6.186 126.023 119.914 -0.129 0.000 2.415 51 V HA 0.283 4.451 4.120 0.081 0.000 0.267 51 V C 0.870 176.912 176.094 -0.086 0.000 1.042 51 V CA -0.400 61.823 62.300 -0.127 0.000 1.000 51 V CB 0.312 32.044 31.823 -0.152 0.000 1.015 51 V HN 0.810 nan 8.190 nan 0.000 0.478 52 K N 4.456 124.808 120.400 -0.079 0.000 2.491 52 K HA 0.185 4.554 4.320 0.081 0.000 0.279 52 K C 1.144 177.713 176.600 -0.051 0.000 1.026 52 K CA 0.835 57.083 56.287 -0.064 0.000 1.070 52 K CB 0.116 32.579 32.500 -0.062 0.000 0.887 52 K HN 1.082 nan 8.250 nan 0.000 0.481 53 A N 2.452 125.244 122.820 -0.047 0.000 2.979 53 A HA -0.196 4.172 4.320 0.081 0.000 0.260 53 A C -0.179 177.389 177.584 -0.027 0.000 1.282 53 A CA 0.841 52.854 52.037 -0.040 0.000 0.971 53 A CB -2.040 16.933 19.000 -0.045 0.000 1.124 53 A HN 0.571 nan 8.150 nan 0.000 0.826 54 L N -0.824 120.385 121.223 -0.023 0.000 2.386 54 L HA 0.462 4.850 4.340 0.081 0.000 0.271 54 L C 0.423 177.296 176.870 0.005 0.000 0.993 54 L CA -0.912 53.927 54.840 -0.001 0.000 0.819 54 L CB 1.858 43.921 42.059 0.007 0.000 1.294 54 L HN 0.239 nan 8.230 nan 0.000 0.414 55 K N 2.738 123.154 120.400 0.027 0.000 2.355 55 K HA 0.115 4.484 4.320 0.081 0.000 0.270 55 K C -1.532 175.120 176.600 0.086 0.000 1.003 55 K CA -1.370 54.943 56.287 0.043 0.000 0.957 55 K CB 0.871 33.400 32.500 0.048 0.000 0.939 55 K HN 0.270 nan 8.250 nan 0.000 0.482 56 P HA -0.256 nan 4.420 nan 0.000 0.218 56 P C 0.781 178.256 177.300 0.292 0.000 1.148 56 P CA 1.428 64.693 63.100 0.275 0.000 0.822 56 P CB 0.058 31.968 31.700 0.351 0.000 0.784 57 E N -0.784 119.517 120.200 0.167 0.000 2.150 57 E HA -0.126 4.273 4.350 0.081 0.000 0.193 57 E C 1.345 178.025 176.600 0.133 0.000 0.985 57 E CA 1.429 57.903 56.400 0.123 0.000 0.814 57 E CB -1.423 28.322 29.700 0.075 0.000 0.752 57 E HN 0.147 nan 8.360 nan 0.000 0.466 58 T N 1.413 116.044 114.554 0.127 0.000 2.770 58 T HA -0.079 4.320 4.350 0.081 0.000 0.263 58 T C 2.145 176.930 174.700 0.141 0.000 1.039 58 T CA 1.325 63.497 62.100 0.119 0.000 1.142 58 T CB -0.279 68.647 68.868 0.095 0.000 0.868 58 T HN 0.037 nan 8.240 nan 0.000 0.435 59 V N 2.034 122.043 119.914 0.158 0.000 2.324 59 V HA -0.231 3.938 4.120 0.081 0.000 0.250 59 V C 2.645 178.900 176.094 0.269 0.000 1.060 59 V CA 1.941 64.342 62.300 0.168 0.000 1.042 59 V CB -0.638 31.236 31.823 0.085 0.000 0.650 59 V HN 0.281 nan 8.190 nan 0.000 0.450 60 R N 1.121 121.839 120.500 0.362 0.000 2.075 60 R HA -0.009 4.380 4.340 0.081 0.000 0.232 60 R C 2.132 178.531 176.300 0.165 0.000 1.126 60 R CA 1.789 58.061 56.100 0.287 0.000 0.963 60 R CB -1.012 29.373 30.300 0.142 0.000 0.858 60 R HN 0.424 nan 8.270 nan 0.000 0.435 61 A N -0.285 122.619 122.820 0.139 0.000 2.019 61 A HA -0.149 4.219 4.320 0.081 0.000 0.219 61 A C 2.080 179.732 177.584 0.114 0.000 1.164 61 A CA 1.972 54.074 52.037 0.108 0.000 0.644 61 A CB -1.162 17.900 19.000 0.103 0.000 0.805 61 A HN 0.639 nan 8.150 nan 0.000 0.449 62 T N -4.436 110.197 114.554 0.131 0.000 3.072 62 T HA 0.331 4.729 4.350 0.081 0.000 0.266 62 T C 1.415 176.189 174.700 0.123 0.000 1.127 62 T CA 1.350 63.526 62.100 0.128 0.000 1.107 62 T CB -0.062 68.882 68.868 0.127 0.000 0.910 62 T HN 1.665 nan 8.240 nan 0.000 0.513 63 G N 0.680 109.558 108.800 0.131 0.000 2.192 63 G HA2 0.094 4.102 3.960 0.081 0.000 0.193 63 G HA3 0.094 4.102 3.960 0.081 0.000 0.193 63 G C 0.238 175.228 174.900 0.150 0.000 0.999 63 G CA -0.184 44.988 45.100 0.119 0.000 0.659 63 G HN 1.085 nan 8.290 nan 0.000 0.503 64 A N 0.324 123.263 122.820 0.197 0.000 2.477 64 A HA 0.535 4.903 4.320 0.081 0.000 0.246 64 A C 1.016 178.779 177.584 0.299 0.000 1.078 64 A CA 0.938 53.112 52.037 0.228 0.000 0.770 64 A CB 0.312 19.430 19.000 0.196 0.000 1.011 64 A HN 0.161 nan 8.150 nan 0.000 0.494 65 D N 0.356 120.899 120.400 0.239 0.000 2.392 65 D HA 0.219 4.908 4.640 0.081 0.000 0.206 65 D C 0.187 176.697 176.300 0.351 0.000 1.046 65 D CA 0.876 55.014 54.000 0.230 0.000 0.865 65 D CB 0.435 41.309 40.800 0.124 0.000 0.969 65 D HN 0.580 nan 8.370 nan 0.000 0.509 66 I N 0.283 121.046 120.570 0.322 0.000 2.828 66 I HA 0.280 4.499 4.170 0.081 0.000 0.295 66 I C -1.843 174.226 176.117 -0.080 0.000 1.459 66 I CA -0.945 60.495 61.300 0.235 0.000 1.015 66 I CB 2.190 40.240 38.000 0.083 0.000 1.345 66 I HN -0.213 nan 8.210 nan 0.000 0.449 67 I N 4.192 124.588 120.570 -0.289 0.000 2.892 67 I HA 0.622 4.840 4.170 0.081 0.000 0.306 67 I C -1.841 174.069 176.117 -0.345 0.000 1.078 67 I CA -0.949 60.061 61.300 -0.483 0.000 1.032 67 I CB 2.095 39.575 38.000 -0.867 0.000 1.229 67 I HN 0.670 nan 8.210 nan 0.000 0.435 68 L N 2.909 123.943 121.223 -0.315 0.000 2.325 68 L HA 0.896 5.284 4.340 0.081 0.000 0.278 68 L C -0.016 176.739 176.870 -0.192 0.000 1.023 68 L CA -0.091 54.612 54.840 -0.228 0.000 0.811 68 L CB 1.483 43.424 42.059 -0.196 0.000 1.249 68 L HN 0.933 nan 8.230 nan 0.000 0.431 69 G N 2.197 110.915 108.800 -0.136 0.000 2.568 69 G HA2 0.334 4.343 3.960 0.081 0.000 0.313 69 G HA3 0.334 4.343 3.960 0.081 0.000 0.313 69 G C -1.546 173.342 174.900 -0.019 0.000 1.227 69 G CA -0.621 44.427 45.100 -0.087 0.000 0.979 69 G HN 0.570 nan 8.290 nan 0.000 0.486 70 N N -0.506 118.215 118.700 0.036 0.000 2.399 70 N HA 0.229 5.018 4.740 0.081 0.000 0.284 70 N C 1.055 176.635 175.510 0.116 0.000 1.025 70 N CA -0.360 52.764 53.050 0.124 0.000 0.885 70 N CB 2.166 40.819 38.487 0.277 0.000 1.339 70 N HN 0.316 nan 8.380 nan 0.000 0.487 71 T N 1.794 116.409 114.554 0.102 0.000 2.665 71 T HA -0.204 4.194 4.350 0.081 0.000 0.268 71 T C 1.538 176.254 174.700 0.027 0.000 1.035 71 T CA 1.443 63.583 62.100 0.067 0.000 1.151 71 T CB -0.379 68.551 68.868 0.104 0.000 0.862 71 T HN 0.638 nan 8.240 nan 0.000 0.438 72 Y N 1.658 121.904 120.300 -0.090 0.000 2.114 72 Y HA -0.235 4.364 4.550 0.080 0.000 0.284 72 Y C 2.648 178.355 175.900 -0.321 0.000 1.143 72 Y CA 1.635 59.566 58.100 -0.282 0.000 1.135 72 Y CB -0.535 37.671 38.460 -0.424 0.000 0.980 72 Y HN 0.371 nan 8.280 nan 0.000 0.499 73 H N -0.041 118.989 119.070 -0.065 0.000 2.321 73 H HA -0.157 4.449 4.556 0.083 0.000 0.300 73 H C 2.396 177.596 175.328 -0.214 0.000 1.087 73 H CA 2.028 57.974 56.048 -0.171 0.000 1.319 73 H CB -0.525 29.232 29.762 -0.009 0.000 1.379 73 H HN 0.386 nan 8.280 nan 0.000 0.501 74 L N 0.970 122.181 121.223 -0.021 0.000 2.201 74 L HA -0.157 4.231 4.340 0.081 0.000 0.212 74 L C 2.877 179.665 176.870 -0.137 0.000 1.105 74 L CA 0.847 55.652 54.840 -0.059 0.000 0.775 74 L CB -0.366 41.674 42.059 -0.031 0.000 0.913 74 L HN 0.305 nan 8.230 nan 0.000 0.440 75 M N -0.939 118.542 119.600 -0.198 0.000 2.229 75 M HA -0.150 4.378 4.480 0.081 0.000 0.264 75 M C 1.910 178.018 176.300 -0.320 0.000 1.063 75 M CA 1.838 57.002 55.300 -0.227 0.000 1.114 75 M CB -0.234 32.231 32.600 -0.225 0.000 1.387 75 M HN 0.147 nan 8.290 nan 0.000 0.420 76 L N -0.076 120.872 121.223 -0.457 0.000 2.127 76 L HA 0.134 4.523 4.340 0.081 0.000 0.203 76 L C 1.451 178.178 176.870 -0.239 0.000 1.080 76 L CA 0.628 55.175 54.840 -0.488 0.000 0.768 76 L CB -0.109 41.585 42.059 -0.608 0.000 0.924 76 L HN 0.351 nan 8.230 nan 0.000 0.444 77 R N 0.023 120.422 120.500 -0.169 0.000 2.510 77 R HA 0.237 4.625 4.340 0.081 0.000 0.287 77 R C -2.378 173.900 176.300 -0.038 0.000 1.084 77 R CA -1.192 54.862 56.100 -0.076 0.000 0.934 77 R CB 1.916 32.191 30.300 -0.043 0.000 1.201 77 R HN -0.259 nan 8.270 nan 0.000 0.431 78 P HA 0.228 nan 4.420 nan 0.000 0.255 78 P C -0.366 176.881 177.300 -0.088 0.000 1.248 78 P CA 0.285 63.363 63.100 -0.038 0.000 0.807 78 P CB 0.859 32.544 31.700 -0.025 0.000 1.150 79 G N -0.167 108.564 108.800 -0.114 0.000 3.055 79 G HA2 0.120 4.128 3.960 0.081 0.000 0.685 79 G HA3 0.120 4.128 3.960 0.081 0.000 0.685 79 G C 0.576 175.394 174.900 -0.137 0.000 1.212 79 G CA -0.397 44.636 45.100 -0.111 0.000 0.822 79 G HN 0.147 nan 8.290 nan 0.000 0.610 80 A N 1.305 124.058 122.820 -0.112 0.000 1.898 80 A HA 0.228 4.597 4.320 0.081 0.000 0.214 80 A C 2.034 179.549 177.584 -0.117 0.000 1.183 80 A CA 2.268 54.237 52.037 -0.113 0.000 0.622 80 A CB -0.291 18.662 19.000 -0.079 0.000 0.824 80 A HN 0.819 nan 8.150 nan 0.000 0.444 81 E N -0.360 119.786 120.200 -0.089 0.000 2.077 81 E HA -0.159 4.239 4.350 0.081 0.000 0.193 81 E C 2.142 178.679 176.600 -0.105 0.000 0.989 81 E CA 1.341 57.692 56.400 -0.081 0.000 0.800 81 E CB -0.222 29.447 29.700 -0.053 0.000 0.746 81 E HN 0.619 nan 8.360 nan 0.000 0.452 82 R N 0.513 120.940 120.500 -0.122 0.000 2.083 82 R HA -0.120 4.269 4.340 0.081 0.000 0.237 82 R C 2.154 178.316 176.300 -0.230 0.000 1.137 82 R CA 1.457 57.468 56.100 -0.148 0.000 0.951 82 R CB -0.336 29.878 30.300 -0.144 0.000 0.851 82 R HN 0.181 nan 8.270 nan 0.000 0.434 83 I N 0.780 121.162 120.570 -0.314 0.000 2.286 83 I HA -0.234 3.984 4.170 0.081 0.000 0.248 83 I C 2.528 178.497 176.117 -0.247 0.000 1.115 83 I CA 1.172 62.211 61.300 -0.434 0.000 1.392 83 I CB -0.342 37.385 38.000 -0.454 0.000 1.065 83 I HN 0.362 nan 8.210 nan 0.000 0.418 84 A N 1.127 123.843 122.820 -0.174 0.000 1.902 84 A HA -0.277 4.092 4.320 0.081 0.000 0.217 84 A C 2.632 180.158 177.584 -0.097 0.000 1.181 84 A CA 2.521 54.480 52.037 -0.130 0.000 0.623 84 A CB -0.952 17.974 19.000 -0.123 0.000 0.818 84 A HN 0.374 nan 8.150 nan 0.000 0.443 85 K N -0.095 120.249 120.400 -0.094 0.000 2.152 85 K HA 0.049 4.417 4.320 0.081 0.000 0.206 85 K C 1.667 178.237 176.600 -0.050 0.000 1.048 85 K CA 1.731 57.980 56.287 -0.063 0.000 0.933 85 K CB -1.099 31.366 32.500 -0.057 0.000 0.721 85 K HN 0.535 nan 8.250 nan 0.000 0.447 86 L N -0.975 120.204 121.223 -0.073 0.000 2.612 86 L HA 0.251 4.639 4.340 0.081 0.000 0.230 86 L C 1.608 178.485 176.870 0.012 0.000 1.140 86 L CA 0.511 55.338 54.840 -0.023 0.000 0.896 86 L CB 0.196 42.234 42.059 -0.036 0.000 1.065 86 L HN 0.643 nan 8.230 nan 0.000 0.447 87 G N -0.751 108.042 108.800 -0.012 0.000 2.184 87 G HA2 -0.026 3.983 3.960 0.081 0.000 0.206 87 G HA3 -0.026 3.983 3.960 0.081 0.000 0.206 87 G C 0.523 175.438 174.900 0.025 0.000 0.995 87 G CA -0.266 44.843 45.100 0.014 0.000 0.651 87 G HN 0.790 nan 8.290 nan 0.000 0.511 88 G N -1.679 107.117 108.800 -0.007 0.000 2.612 88 G HA2 0.204 4.212 3.960 0.081 0.000 0.686 88 G HA3 0.204 4.212 3.960 0.081 0.000 0.686 88 G C 0.406 175.349 174.900 0.073 0.000 1.274 88 G CA -0.004 45.104 45.100 0.014 0.000 0.849 88 G HN 1.516 nan 8.290 nan 0.000 0.595 89 L N 0.098 121.359 121.223 0.064 0.000 2.141 89 L HA 0.155 4.544 4.340 0.081 0.000 0.209 89 L C 2.474 179.415 176.870 0.119 0.000 1.094 89 L CA 2.874 57.757 54.840 0.073 0.000 0.763 89 L CB -0.880 41.154 42.059 -0.042 0.000 0.908 89 L HN 0.736 nan 8.230 nan 0.000 0.437 90 H N -1.726 117.429 119.070 0.141 0.000 2.321 90 H HA -0.122 4.482 4.556 0.080 0.000 0.300 90 H C 2.537 177.951 175.328 0.143 0.000 1.087 90 H CA 1.874 58.019 56.048 0.162 0.000 1.319 90 H CB -0.398 29.433 29.762 0.115 0.000 1.379 90 H HN 0.365 nan 8.280 nan 0.000 0.501 91 S N -0.438 115.415 115.700 0.254 0.000 2.348 91 S HA -0.191 4.327 4.470 0.081 0.000 0.221 91 S C 2.016 176.736 174.600 0.200 0.000 1.033 91 S CA 1.172 59.480 58.200 0.179 0.000 1.010 91 S CB -0.496 62.789 63.200 0.141 0.000 0.891 91 S HN 0.354 nan 8.310 nan 0.000 0.442 92 F N 3.016 122.994 119.950 0.048 0.000 2.065 92 F HA -0.112 4.468 4.527 0.089 0.000 0.298 92 F C 2.149 177.967 175.800 0.029 0.000 1.112 92 F CA 2.252 60.267 58.000 0.025 0.000 1.212 92 F CB -0.529 38.476 39.000 0.007 0.000 0.975 92 F HN 0.384 nan 8.300 nan 0.000 0.476 93 M N -1.410 118.231 119.600 0.069 0.000 2.502 93 M HA 0.400 4.929 4.480 0.081 0.000 0.243 93 M C 1.290 177.616 176.300 0.042 0.000 1.130 93 M CA 0.941 56.212 55.300 -0.049 0.000 1.055 93 M CB -0.064 32.537 32.600 0.003 0.000 1.457 93 M HN 0.209 nan 8.290 nan 0.000 0.488 94 G N 1.614 110.476 108.800 0.103 0.000 2.225 94 G HA2 -0.247 3.762 3.960 0.081 0.000 0.264 94 G HA3 -0.247 3.762 3.960 0.081 0.000 0.264 94 G C -0.751 174.271 174.900 0.203 0.000 1.060 94 G CA 0.247 45.416 45.100 0.116 0.000 0.833 94 G HN 0.776 nan 8.290 nan 0.000 0.498 95 W N 1.661 122.986 121.300 0.043 0.000 2.411 95 W HA 0.515 5.213 4.660 0.064 0.000 0.317 95 W C 0.016 176.634 176.519 0.166 0.000 1.030 95 W CA -0.207 57.175 57.345 0.061 0.000 1.239 95 W CB 1.275 30.742 29.460 0.013 0.000 1.304 95 W HN 0.289 nan 8.180 nan 0.000 0.437 96 D N 3.586 123.826 120.400 -0.267 0.000 2.363 96 D HA 0.115 4.804 4.640 0.081 0.000 0.214 96 D C 0.340 176.486 176.300 -0.255 0.000 1.093 96 D CA 0.030 53.947 54.000 -0.138 0.000 0.837 96 D CB 0.334 41.044 40.800 -0.151 0.000 0.948 96 D HN 0.194 nan 8.370 nan 0.000 0.507 97 R N 0.147 120.288 120.500 -0.599 0.000 2.606 97 R HA 0.506 4.895 4.340 0.081 0.000 0.249 97 R C -2.454 173.996 176.300 0.250 0.000 1.127 97 R CA -2.070 53.842 56.100 -0.312 0.000 1.133 97 R CB 0.263 30.180 30.300 -0.639 0.000 1.243 97 R HN -0.047 nan 8.270 nan 0.000 0.558 98 P HA 0.002 nan 4.420 nan 0.000 0.267 98 P C -0.810 176.763 177.300 0.454 0.000 1.200 98 P CA 0.740 64.049 63.100 0.349 0.000 0.772 98 P CB 0.427 32.243 31.700 0.194 0.000 0.855 99 I N 2.484 123.237 120.570 0.305 0.000 2.466 99 I HA 0.339 4.558 4.170 0.081 0.000 0.289 99 I C -0.235 175.870 176.117 -0.021 0.000 1.026 99 I CA -0.909 60.429 61.300 0.064 0.000 1.078 99 I CB 1.795 39.742 38.000 -0.088 0.000 1.249 99 I HN 0.172 nan 8.210 nan 0.000 0.429 100 L N 6.436 127.588 121.223 -0.120 0.000 2.307 100 L HA 0.581 4.970 4.340 0.081 0.000 0.282 100 L C -0.062 176.735 176.870 -0.122 0.000 1.051 100 L CA -0.013 54.724 54.840 -0.171 0.000 0.804 100 L CB 1.411 43.286 42.059 -0.306 0.000 1.197 100 L HN 0.694 nan 8.230 nan 0.000 0.431 101 T N -0.062 114.448 114.554 -0.074 0.000 2.779 101 T HA 0.347 4.746 4.350 0.081 0.000 0.280 101 T C -0.385 174.325 174.700 0.016 0.000 0.987 101 T CA -0.896 61.190 62.100 -0.024 0.000 0.966 101 T CB 1.454 70.327 68.868 0.007 0.000 0.933 101 T HN 0.498 nan 8.240 nan 0.000 0.442 102 D N 1.269 121.695 120.400 0.043 0.000 2.357 102 D HA 0.204 4.892 4.640 0.081 0.000 0.242 102 D C 1.316 177.689 176.300 0.121 0.000 1.153 102 D CA -0.333 53.719 54.000 0.086 0.000 0.918 102 D CB 1.312 42.164 40.800 0.087 0.000 1.181 102 D HN 0.614 nan 8.370 nan 0.000 0.435 103 S N 0.707 116.502 115.700 0.158 0.000 2.524 103 S HA 0.284 4.802 4.470 0.081 0.000 0.216 103 S C 1.505 176.316 174.600 0.352 0.000 0.987 103 S CA 0.468 58.813 58.200 0.241 0.000 0.909 103 S CB 0.510 63.880 63.200 0.284 0.000 0.781 103 S HN 0.840 nan 8.310 nan 0.000 0.521 104 G N 0.624 109.591 108.800 0.278 0.000 2.213 104 G HA2 -0.180 3.828 3.960 0.081 0.000 0.226 104 G HA3 -0.180 3.828 3.960 0.081 0.000 0.226 104 G C 0.977 176.019 174.900 0.237 0.000 0.992 104 G CA -0.012 45.265 45.100 0.296 0.000 0.632 104 G HN 0.935 nan 8.290 nan 0.000 0.511 105 G N -0.389 108.466 108.800 0.091 0.000 2.535 105 G HA2 0.063 4.072 3.960 0.081 0.000 0.218 105 G HA3 0.063 4.072 3.960 0.081 0.000 0.218 105 G C 1.196 176.117 174.900 0.036 0.000 1.122 105 G CA 1.768 46.802 45.100 -0.110 0.000 0.769 105 G HN 0.746 nan 8.290 nan 0.000 0.549 106 Y N 0.329 120.617 120.300 -0.020 0.000 2.389 106 Y HA 0.304 4.903 4.550 0.082 0.000 0.292 106 Y C 1.753 177.630 175.900 -0.038 0.000 1.117 106 Y CA 0.039 58.125 58.100 -0.022 0.000 1.195 106 Y CB 0.197 38.649 38.460 -0.013 0.000 1.076 106 Y HN 0.161 nan 8.280 nan 0.000 0.548 116 K N 1.652 121.983 120.400 -0.115 0.000 2.339 116 K HA 0.730 5.099 4.320 0.081 0.000 0.264 116 K C -0.213 176.354 176.600 -0.054 0.000 0.986 116 K CA -0.871 55.381 56.287 -0.058 0.000 0.866 116 K CB 1.004 33.486 32.500 -0.031 0.000 1.103 116 K HN 0.842 nan 8.250 nan 0.000 0.441 117 Q N 0.957 120.748 119.800 -0.014 0.000 2.312 117 Q HA 0.713 5.102 4.340 0.081 0.000 0.263 117 Q C -0.414 175.634 176.000 0.080 0.000 0.995 117 Q CA -1.086 54.745 55.803 0.047 0.000 0.853 117 Q CB 1.860 30.629 28.738 0.052 0.000 1.300 117 Q HN 0.803 nan 8.270 nan 0.000 0.448 118 S N -0.260 115.531 115.700 0.151 0.000 2.705 118 S HA 0.225 4.744 4.470 0.081 0.000 0.280 118 S C 0.461 175.229 174.600 0.279 0.000 1.174 118 S CA -0.745 57.545 58.200 0.149 0.000 0.823 118 S CB 1.457 64.718 63.200 0.101 0.000 1.162 118 S HN 0.641 nan 8.310 nan 0.000 0.487 119 E N 0.572 120.907 120.200 0.226 0.000 2.209 119 E HA -0.112 4.286 4.350 0.081 0.000 0.196 119 E C 1.482 178.370 176.600 0.480 0.000 0.993 119 E CA 1.582 58.175 56.400 0.322 0.000 0.819 119 E CB -0.174 29.634 29.700 0.179 0.000 0.745 119 E HN 0.558 nan 8.360 nan 0.000 0.477 120 E N -0.491 119.870 120.200 0.268 0.000 2.150 120 E HA 0.082 4.481 4.350 0.081 0.000 0.193 120 E C 1.008 177.622 176.600 0.023 0.000 0.985 120 E CA 1.095 57.580 56.400 0.142 0.000 0.814 120 E CB 0.159 29.897 29.700 0.063 0.000 0.752 120 E HN 0.307 nan 8.360 nan 0.000 0.466 121 G N -0.909 107.948 108.800 0.096 0.000 2.373 121 G HA2 0.143 4.152 3.960 0.081 0.000 0.250 121 G HA3 0.143 4.152 3.960 0.081 0.000 0.250 121 G C -1.653 173.293 174.900 0.078 0.000 1.304 121 G CA -0.172 44.874 45.100 -0.089 0.000 0.948 121 G HN 0.128 nan 8.290 nan 0.000 0.474 122 V N 0.237 120.152 119.914 0.000 0.000 2.733 122 V HA 0.764 4.932 4.120 0.081 0.000 0.306 122 V C -0.679 175.329 176.094 -0.143 0.000 1.084 122 V CA 0.025 62.284 62.300 -0.068 0.000 0.905 122 V CB 1.960 33.699 31.823 -0.140 0.000 1.010 122 V HN 1.147 nan 8.190 nan 0.000 0.424 123 T N 7.551 122.008 114.554 -0.161 0.000 2.771 123 T HA 0.624 5.023 4.350 0.081 0.000 0.281 123 T C -0.787 173.823 174.700 -0.149 0.000 0.982 123 T CA 0.100 62.158 62.100 -0.070 0.000 0.978 123 T CB 0.689 69.552 68.868 -0.009 0.000 0.930 123 T HN 0.411 nan 8.240 nan 0.000 0.447 124 F N 2.098 122.128 119.950 0.132 0.000 2.421 124 F HA 0.711 5.288 4.527 0.083 0.000 0.337 124 F C 0.697 176.586 175.800 0.147 0.000 1.105 124 F CA -0.600 57.497 58.000 0.160 0.000 1.049 124 F CB 1.054 40.209 39.000 0.258 0.000 1.139 124 F HN 0.626 nan 8.300 nan 0.000 0.479 132 R N 0.931 121.325 120.500 -0.177 0.000 2.532 132 R HA 0.829 5.218 4.340 0.081 0.000 0.295 132 R C -0.929 175.174 176.300 -0.329 0.000 0.968 132 R CA -0.662 55.382 56.100 -0.094 0.000 0.916 132 R CB 0.309 30.584 30.300 -0.042 0.000 1.124 132 R HN 0.723 nan 8.270 nan 0.000 0.463 133 H N 2.100 121.243 119.070 0.122 0.000 2.771 133 H HA 0.430 5.035 4.556 0.082 0.000 0.361 133 H C -0.861 174.587 175.328 0.200 0.000 1.108 133 H CA -0.799 55.322 56.048 0.121 0.000 1.201 133 H CB 2.091 31.900 29.762 0.079 0.000 1.681 133 H HN 0.556 nan 8.280 nan 0.000 0.534 134 M N 3.584 123.312 119.600 0.214 0.000 2.268 134 M HA 0.289 4.818 4.480 0.081 0.000 0.344 134 M C -1.709 174.653 176.300 0.103 0.000 1.106 134 M CA -0.766 54.611 55.300 0.129 0.000 1.010 134 M CB 1.125 33.738 32.600 0.023 0.000 1.649 134 M HN 0.357 nan 8.290 nan 0.000 0.443 135 L N 3.546 124.808 121.223 0.064 0.000 2.370 135 L HA 0.745 5.134 4.340 0.081 0.000 0.266 135 L C -0.358 176.177 176.870 -0.558 0.000 1.002 135 L CA -0.029 54.700 54.840 -0.185 0.000 0.818 135 L CB 2.173 44.230 42.059 -0.003 0.000 1.325 135 L HN 0.931 nan 8.230 nan 0.000 0.418 136 S N 1.857 117.020 115.700 -0.895 0.000 2.656 136 S HA 0.665 5.184 4.470 0.081 0.000 0.273 136 S C -2.584 171.366 174.600 -1.084 0.000 1.168 136 S CA -1.067 56.517 58.200 -1.026 0.000 0.817 136 S CB 1.636 64.540 63.200 -0.495 0.000 1.146 136 S HN 0.313 nan 8.310 nan 0.000 0.475 137 P HA -0.102 nan 4.420 nan 0.000 0.215 137 P C 0.983 178.177 177.300 -0.177 0.000 1.157 137 P CA 1.650 64.606 63.100 -0.240 0.000 0.874 137 P CB -0.048 31.600 31.700 -0.086 0.000 0.790 138 E N -1.058 119.035 120.200 -0.178 0.000 2.051 138 E HA -0.195 4.203 4.350 0.081 0.000 0.192 138 E C 2.183 178.717 176.600 -0.111 0.000 0.991 138 E CA 1.119 57.459 56.400 -0.101 0.000 0.799 138 E CB -0.598 29.051 29.700 -0.084 0.000 0.748 138 E HN -0.010 nan 8.360 nan 0.000 0.449 139 R N 0.435 120.831 120.500 -0.174 0.000 2.075 139 R HA 0.004 4.392 4.340 0.081 0.000 0.232 139 R C 2.320 178.542 176.300 -0.129 0.000 1.126 139 R CA 1.727 57.742 56.100 -0.143 0.000 0.963 139 R CB -0.986 29.215 30.300 -0.165 0.000 0.858 139 R HN 0.146 nan 8.270 nan 0.000 0.435 140 S N -0.213 115.355 115.700 -0.219 0.000 2.359 140 S HA -0.067 4.452 4.470 0.081 0.000 0.224 140 S C 1.823 176.430 174.600 0.012 0.000 1.035 140 S CA 1.363 59.498 58.200 -0.108 0.000 1.018 140 S CB -0.250 62.865 63.200 -0.141 0.000 0.876 140 S HN 0.305 nan 8.310 nan 0.000 0.448 141 I N 1.907 122.494 120.570 0.027 0.000 2.286 141 I HA -0.094 4.125 4.170 0.081 0.000 0.248 141 I C 2.527 178.703 176.117 0.097 0.000 1.115 141 I CA 1.376 62.739 61.300 0.105 0.000 1.392 141 I CB -1.550 36.526 38.000 0.126 0.000 1.065 141 I HN 0.534 nan 8.210 nan 0.000 0.418 142 E N 1.138 121.366 120.200 0.047 0.000 2.072 142 E HA -0.195 4.204 4.350 0.081 0.000 0.191 142 E C 2.416 179.065 176.600 0.081 0.000 0.985 142 E CA 1.034 57.476 56.400 0.070 0.000 0.801 142 E CB 0.006 29.720 29.700 0.023 0.000 0.750 142 E HN 0.433 nan 8.360 nan 0.000 0.452 143 I N 0.975 121.565 120.570 0.032 0.000 2.226 143 I HA -0.305 3.914 4.170 0.081 0.000 0.245 143 I C 2.598 178.731 176.117 0.027 0.000 1.100 143 I CA 1.248 62.554 61.300 0.011 0.000 1.374 143 I CB -0.227 37.766 38.000 -0.011 0.000 1.057 143 I HN 0.197 nan 8.210 nan 0.000 0.413 144 Q N -0.521 119.320 119.800 0.067 0.000 2.119 144 Q HA -0.273 4.116 4.340 0.081 0.000 0.201 144 Q C 2.141 178.201 176.000 0.100 0.000 0.972 144 Q CA 1.699 57.551 55.803 0.082 0.000 0.847 144 Q CB -0.286 28.522 28.738 0.117 0.000 0.903 144 Q HN 0.563 nan 8.270 nan 0.000 0.433 145 H N 0.835 119.922 119.070 0.029 0.000 2.321 145 H HA -0.086 4.519 4.556 0.082 0.000 0.300 145 H C 1.788 177.115 175.328 -0.001 0.000 1.087 145 H CA 1.536 57.588 56.048 0.006 0.000 1.319 145 H CB -0.211 29.537 29.762 -0.023 0.000 1.379 145 H HN 0.115 nan 8.280 nan 0.000 0.501 146 L N -0.200 120.914 121.223 -0.181 0.000 2.083 146 L HA -0.163 4.226 4.340 0.081 0.000 0.209 146 L C 2.459 179.223 176.870 -0.178 0.000 1.083 146 L CA 0.993 55.695 54.840 -0.230 0.000 0.752 146 L CB -0.350 41.647 42.059 -0.102 0.000 0.899 146 L HN 0.324 nan 8.230 nan 0.000 0.433 147 L N -0.410 120.750 121.223 -0.104 0.000 2.275 147 L HA -0.031 4.358 4.340 0.081 0.000 0.215 147 L C 1.489 178.343 176.870 -0.027 0.000 1.119 147 L CA 0.779 55.577 54.840 -0.070 0.000 0.790 147 L CB -0.778 41.256 42.059 -0.041 0.000 0.919 147 L HN 0.527 nan 8.230 nan 0.000 0.443 148 G N 0.220 108.999 108.800 -0.035 0.000 2.182 148 G HA2 -0.255 3.753 3.960 0.081 0.000 0.248 148 G HA3 -0.255 3.753 3.960 0.081 0.000 0.248 148 G C 0.195 175.202 174.900 0.179 0.000 1.042 148 G CA 0.231 45.363 45.100 0.054 0.000 0.775 148 G HN 0.332 nan 8.290 nan 0.000 0.501 149 S N -0.074 115.700 115.700 0.124 0.000 2.579 149 S HA 0.322 4.840 4.470 0.081 0.000 0.275 149 S C 1.033 175.739 174.600 0.177 0.000 1.345 149 S CA 0.052 58.336 58.200 0.140 0.000 1.031 149 S CB 1.333 64.576 63.200 0.072 0.000 0.892 149 S HN 0.331 nan 8.310 nan 0.000 0.529 150 D N 0.518 121.026 120.400 0.179 0.000 2.216 150 D HA 0.126 4.815 4.640 0.081 0.000 0.208 150 D C 0.231 176.591 176.300 0.100 0.000 0.960 150 D CA 0.990 55.084 54.000 0.157 0.000 0.861 150 D CB 0.274 41.176 40.800 0.170 0.000 0.985 150 D HN 0.403 nan 8.370 nan 0.000 0.493 151 I N 2.181 122.748 120.570 -0.005 0.000 2.382 151 I HA 0.151 4.370 4.170 0.081 0.000 0.285 151 I C -0.547 175.483 176.117 -0.145 0.000 1.007 151 I CA -0.592 60.603 61.300 -0.175 0.000 1.142 151 I CB 2.394 40.111 38.000 -0.472 0.000 1.289 151 I HN -0.350 nan 8.210 nan 0.000 0.453 152 V N 6.844 126.723 119.914 -0.057 0.000 2.439 152 V HA 0.396 4.564 4.120 0.081 0.000 0.282 152 V C 0.361 176.439 176.094 -0.028 0.000 1.039 152 V CA -0.495 61.822 62.300 0.027 0.000 0.913 152 V CB 1.483 33.428 31.823 0.203 0.000 0.983 152 V HN 0.570 nan 8.190 nan 0.000 0.460 153 M N 3.534 123.146 119.600 0.020 0.000 2.300 153 M HA 0.538 5.067 4.480 0.081 0.000 0.348 153 M C 0.329 176.682 176.300 0.089 0.000 1.151 153 M CA -0.618 54.706 55.300 0.041 0.000 1.046 153 M CB 1.317 33.958 32.600 0.068 0.000 1.647 153 M HN 0.731 nan 8.290 nan 0.000 0.451 154 A N 2.856 125.710 122.820 0.057 0.000 2.520 154 A HA 0.168 4.537 4.320 0.081 0.000 0.235 154 A C -0.477 177.217 177.584 0.182 0.000 1.065 154 A CA -0.063 52.043 52.037 0.116 0.000 0.764 154 A CB -0.148 18.860 19.000 0.014 0.000 1.002 154 A HN 0.733 nan 8.150 nan 0.000 0.502 155 F N 3.050 123.058 119.950 0.096 0.000 2.445 155 F HA 0.423 4.998 4.527 0.080 0.000 0.359 155 F C 0.291 176.247 175.800 0.259 0.000 1.101 155 F CA -0.076 57.986 58.000 0.103 0.000 1.177 155 F CB 0.538 39.524 39.000 -0.024 0.000 1.110 155 F HN 0.770 nan 8.300 nan 0.000 0.522 156 D N 3.604 123.817 120.400 -0.312 0.000 2.714 156 D HA 0.224 4.913 4.640 0.081 0.000 0.278 156 D C -1.593 174.615 176.300 -0.153 0.000 1.102 156 D CA -0.783 53.189 54.000 -0.047 0.000 1.108 156 D CB 1.344 42.131 40.800 -0.023 0.000 1.444 156 D HN 0.600 nan 8.370 nan 0.000 0.568 157 E N -0.355 119.817 120.200 -0.046 0.000 2.155 157 E HA 0.394 4.792 4.350 0.081 0.000 0.264 157 E C -1.126 175.444 176.600 -0.050 0.000 0.886 157 E CA -0.936 55.429 56.400 -0.059 0.000 0.752 157 E CB 1.075 30.714 29.700 -0.102 0.000 1.133 157 E HN 0.548 nan 8.360 nan 0.000 0.414 158 C N 5.216 124.498 119.300 -0.030 0.000 2.624 158 C HA 0.256 4.765 4.460 0.081 0.000 0.397 158 C C 0.375 175.356 174.990 -0.014 0.000 1.331 158 C CA -0.129 58.892 59.018 0.004 0.000 1.716 158 C CB -1.033 26.751 27.740 0.073 0.000 2.452 158 C HN 0.777 nan 8.230 nan 0.000 0.586 159 T N 9.916 124.475 114.554 0.007 0.000 2.834 159 T HA 0.249 4.647 4.350 0.081 0.000 0.298 159 T C -2.083 172.644 174.700 0.044 0.000 0.966 159 T CA -0.130 61.981 62.100 0.019 0.000 1.141 159 T CB 0.493 69.388 68.868 0.045 0.000 0.905 159 T HN 0.659 nan 8.240 nan 0.000 0.535 160 P HA 0.135 nan 4.420 nan 0.000 0.268 160 P C -1.176 176.194 177.300 0.115 0.000 1.208 160 P CA -0.320 62.808 63.100 0.046 0.000 0.777 160 P CB 0.314 32.018 31.700 0.007 0.000 0.875 161 Y N 2.974 123.274 120.300 0.000 0.000 2.409 161 Y HA 0.521 5.120 4.550 0.082 0.000 0.343 161 Y C -2.260 173.645 175.900 0.007 0.000 0.973 161 Y CA -2.354 55.749 58.100 0.005 0.000 1.064 161 Y CB 1.028 39.485 38.460 -0.004 0.000 1.207 161 Y HN 0.338 nan 8.280 nan 0.000 0.452 162 P HA 0.640 nan 4.420 nan 0.000 0.279 162 P C -1.739 175.416 177.300 -0.242 0.000 1.252 162 P CA -0.599 61.954 63.100 -0.913 0.000 0.811 162 P CB 1.600 32.758 31.700 -0.903 0.000 1.035 163 A N 0.677 123.461 122.820 -0.061 0.000 2.371 163 A HA 0.636 5.005 4.320 0.081 0.000 0.311 163 A C 0.240 177.932 177.584 0.180 0.000 1.068 163 A CA -0.517 51.570 52.037 0.083 0.000 0.744 163 A CB 0.845 19.942 19.000 0.162 0.000 1.239 163 A HN 0.664 nan 8.150 nan 0.000 0.435 164 T N 0.346 114.945 114.554 0.075 0.000 2.860 164 T HA 0.386 4.784 4.350 0.081 0.000 0.299 164 T C -1.811 172.838 174.700 -0.085 0.000 1.045 164 T CA -1.036 61.079 62.100 0.025 0.000 1.071 164 T CB 0.567 69.417 68.868 -0.030 0.000 0.985 164 T HN 0.280 nan 8.240 nan 0.000 0.537 165 P HA -0.113 nan 4.420 nan 0.000 0.216 165 P C 1.926 179.043 177.300 -0.304 0.000 1.150 165 P CA 1.104 63.792 63.100 -0.686 0.000 0.837 165 P CB -0.100 31.162 31.700 -0.731 0.000 0.786 166 S N -0.763 114.824 115.700 -0.187 0.000 2.356 166 S HA -0.229 4.289 4.470 0.081 0.000 0.223 166 S C 2.307 176.857 174.600 -0.083 0.000 1.032 166 S CA 1.871 60.000 58.200 -0.120 0.000 1.005 166 S CB -0.754 62.392 63.200 -0.090 0.000 0.867 166 S HN 0.034 nan 8.310 nan 0.000 0.449 167 R N 0.754 121.218 120.500 -0.060 0.000 2.092 167 R HA 0.357 4.746 4.340 0.081 0.000 0.231 167 R C 2.613 178.905 176.300 -0.014 0.000 1.119 167 R CA 1.777 57.856 56.100 -0.035 0.000 0.970 167 R CB -1.765 28.523 30.300 -0.020 0.000 0.864 167 R HN 0.677 nan 8.270 nan 0.000 0.440 168 A N 0.907 123.740 122.820 0.023 0.000 1.902 168 A HA 0.204 4.573 4.320 0.081 0.000 0.217 168 A C 2.809 180.410 177.584 0.027 0.000 1.181 168 A CA 2.013 54.102 52.037 0.087 0.000 0.623 168 A CB -0.843 18.322 19.000 0.275 0.000 0.818 168 A HN 0.914 nan 8.150 nan 0.000 0.443 169 A N -0.654 122.150 122.820 -0.027 0.000 1.873 169 A HA -0.040 4.329 4.320 0.081 0.000 0.215 169 A C 2.441 179.992 177.584 -0.055 0.000 1.186 169 A CA 1.987 53.999 52.037 -0.042 0.000 0.616 169 A CB -0.884 18.072 19.000 -0.073 0.000 0.823 169 A HN 0.450 nan 8.150 nan 0.000 0.442 170 S N -0.314 115.348 115.700 -0.065 0.000 2.382 170 S HA -0.154 4.365 4.470 0.081 0.000 0.228 170 S C 2.321 176.853 174.600 -0.112 0.000 1.027 170 S CA 1.581 59.732 58.200 -0.082 0.000 0.991 170 S CB -0.346 62.809 63.200 -0.075 0.000 0.823 170 S HN 0.724 nan 8.310 nan 0.000 0.469 171 S N 1.087 116.729 115.700 -0.098 0.000 2.387 171 S HA -0.004 4.515 4.470 0.081 0.000 0.226 171 S C 1.963 176.477 174.600 -0.144 0.000 1.026 171 S CA 0.895 59.014 58.200 -0.135 0.000 0.972 171 S CB -0.348 62.801 63.200 -0.084 0.000 0.814 171 S HN 0.411 nan 8.310 nan 0.000 0.477 172 M N 1.374 120.928 119.600 -0.077 0.000 2.117 172 M HA -0.078 4.451 4.480 0.081 0.000 0.262 172 M C 1.770 178.023 176.300 -0.079 0.000 1.065 172 M CA 1.860 57.127 55.300 -0.054 0.000 1.114 172 M CB -1.035 31.562 32.600 -0.004 0.000 1.361 172 M HN 0.415 nan 8.290 nan 0.000 0.408 173 E N -0.236 119.912 120.200 -0.087 0.000 2.077 173 E HA -0.242 4.156 4.350 0.081 0.000 0.193 173 E C 2.138 178.650 176.600 -0.147 0.000 0.989 173 E CA 1.561 57.909 56.400 -0.087 0.000 0.800 173 E CB -0.285 29.370 29.700 -0.075 0.000 0.746 173 E HN 0.525 nan 8.360 nan 0.000 0.452 174 R N 0.688 121.036 120.500 -0.253 0.000 2.073 174 R HA -0.123 4.265 4.340 0.081 0.000 0.234 174 R C 2.266 178.235 176.300 -0.552 0.000 1.134 174 R CA 1.788 57.602 56.100 -0.477 0.000 0.952 174 R CB -0.164 29.738 30.300 -0.664 0.000 0.850 174 R HN -0.022 nan 8.270 nan 0.000 0.433 175 S N 0.373 115.845 115.700 -0.379 0.000 2.400 175 S HA -0.110 4.409 4.470 0.081 0.000 0.232 175 S C 1.808 176.420 174.600 0.020 0.000 1.025 175 S CA 1.336 59.446 58.200 -0.150 0.000 0.993 175 S CB -0.063 63.090 63.200 -0.080 0.000 0.808 175 S HN 0.318 nan 8.310 nan 0.000 0.478 176 M N 0.933 120.530 119.600 -0.004 0.000 2.254 176 M HA 0.065 4.593 4.480 0.081 0.000 0.265 176 M C 1.987 178.359 176.300 0.121 0.000 1.066 176 M CA 1.167 56.511 55.300 0.074 0.000 1.123 176 M CB -1.098 31.534 32.600 0.053 0.000 1.388 176 M HN 0.252 nan 8.290 nan 0.000 0.425 177 R N -1.089 119.457 120.500 0.075 0.000 2.092 177 R HA -0.166 4.222 4.340 0.081 0.000 0.231 177 R C 2.049 178.544 176.300 0.326 0.000 1.119 177 R CA 1.203 57.392 56.100 0.148 0.000 0.970 177 R CB -0.233 30.119 30.300 0.086 0.000 0.864 177 R HN 0.365 nan 8.270 nan 0.000 0.440 178 W N 0.644 122.010 121.300 0.111 0.000 2.425 178 W HA 0.045 4.753 4.660 0.081 0.000 0.277 178 W C 2.303 178.925 176.519 0.171 0.000 1.231 178 W CA 0.512 57.950 57.345 0.155 0.000 1.248 178 W CB -0.753 28.811 29.460 0.172 0.000 1.117 178 W HN 0.170 nan 8.180 nan 0.000 0.568 179 A N 0.290 123.337 122.820 0.378 0.000 1.898 179 A HA -0.210 4.159 4.320 0.081 0.000 0.216 179 A C 2.044 179.851 177.584 0.372 0.000 1.181 179 A CA 2.234 54.482 52.037 0.351 0.000 0.620 179 A CB -0.630 18.555 19.000 0.309 0.000 0.819 179 A HN 0.101 nan 8.150 nan 0.000 0.442 180 K N 0.194 120.761 120.400 0.278 0.000 2.057 180 K HA -0.053 4.315 4.320 0.081 0.000 0.206 180 K C 2.045 178.745 176.600 0.168 0.000 1.050 180 K CA 1.594 57.993 56.287 0.186 0.000 0.935 180 K CB -0.365 32.220 32.500 0.141 0.000 0.715 180 K HN 0.441 nan 8.250 nan 0.000 0.439 181 R N -0.125 120.495 120.500 0.201 0.000 2.096 181 R HA -0.031 4.357 4.340 0.081 0.000 0.235 181 R C 2.375 178.765 176.300 0.150 0.000 1.127 181 R CA 1.584 57.779 56.100 0.157 0.000 0.968 181 R CB -0.280 30.116 30.300 0.162 0.000 0.861 181 R HN 0.150 nan 8.270 nan 0.000 0.440 182 S N 0.454 116.276 115.700 0.204 0.000 2.356 182 S HA -0.158 4.361 4.470 0.081 0.000 0.223 182 S C 1.784 176.507 174.600 0.204 0.000 1.032 182 S CA 1.317 59.641 58.200 0.207 0.000 1.005 182 S CB -0.199 63.154 63.200 0.256 0.000 0.867 182 S HN 0.217 nan 8.310 nan 0.000 0.449 183 R N 1.913 122.525 120.500 0.186 0.000 2.094 183 R HA -0.137 4.252 4.340 0.081 0.000 0.239 183 R C 1.481 177.845 176.300 0.106 0.000 1.137 183 R CA 2.099 58.237 56.100 0.064 0.000 0.943 183 R CB -0.790 29.452 30.300 -0.096 0.000 0.850 183 R HN 0.236 nan 8.270 nan 0.000 0.433 184 D N -0.233 120.220 120.400 0.089 0.000 2.144 184 D HA -0.076 4.612 4.640 0.081 0.000 0.200 184 D C 1.698 178.050 176.300 0.086 0.000 0.978 184 D CA 1.588 55.632 54.000 0.074 0.000 0.833 184 D CB -0.375 40.458 40.800 0.056 0.000 0.961 184 D HN 0.423 nan 8.370 nan 0.000 0.470 185 A N 0.400 123.282 122.820 0.103 0.000 1.898 185 A HA -0.148 4.221 4.320 0.081 0.000 0.216 185 A C 2.103 179.744 177.584 0.096 0.000 1.181 185 A CA 0.894 52.977 52.037 0.076 0.000 0.620 185 A CB -1.023 18.016 19.000 0.065 0.000 0.819 185 A HN 0.249 nan 8.150 nan 0.000 0.442 186 F N 1.281 121.233 119.950 0.003 0.000 2.126 186 F HA -0.215 4.361 4.527 0.080 0.000 0.299 186 F C 1.559 177.343 175.800 -0.027 0.000 1.096 186 F CA 2.232 60.230 58.000 -0.004 0.000 1.255 186 F CB -0.104 38.914 39.000 0.031 0.000 0.997 186 F HN 0.229 nan 8.300 nan 0.000 0.479 187 D N -0.650 119.874 120.400 0.206 0.000 2.269 187 D HA -0.074 4.615 4.640 0.081 0.000 0.208 187 D C 2.233 178.517 176.300 -0.027 0.000 0.963 187 D CA 0.940 54.994 54.000 0.091 0.000 0.864 187 D CB -0.097 40.770 40.800 0.111 0.000 0.936 187 D HN 0.224 nan 8.370 nan 0.000 0.505 188 S N -0.251 115.428 115.700 -0.035 0.000 2.562 188 S HA 0.028 4.547 4.470 0.081 0.000 0.221 188 S C 1.027 175.561 174.600 -0.111 0.000 0.975 188 S CA -0.062 58.105 58.200 -0.056 0.000 0.918 188 S CB 0.433 63.614 63.200 -0.032 0.000 0.772 188 S HN 0.103 nan 8.310 nan 0.000 0.531 189 R N 1.565 121.955 120.500 -0.184 0.000 2.287 189 R HA 0.271 4.660 4.340 0.081 0.000 0.316 189 R C 1.066 177.198 176.300 -0.281 0.000 1.050 189 R CA -0.253 55.684 56.100 -0.272 0.000 0.983 189 R CB 0.326 30.381 30.300 -0.409 0.000 1.140 189 R HN 0.062 nan 8.270 nan 0.000 0.528 190 K N 2.182 122.470 120.400 -0.187 0.000 2.034 190 K HA -0.274 4.095 4.320 0.081 0.000 0.214 190 K C 1.387 177.900 176.600 -0.146 0.000 1.051 190 K CA 2.171 58.375 56.287 -0.138 0.000 0.931 190 K CB 0.112 32.560 32.500 -0.087 0.000 0.715 190 K HN 0.603 nan 8.250 nan 0.000 0.446 191 E N 0.188 120.306 120.200 -0.137 0.000 2.085 191 E HA -0.307 4.091 4.350 0.081 0.000 0.194 191 E C 2.193 178.722 176.600 -0.117 0.000 0.994 191 E CA 1.691 58.041 56.400 -0.082 0.000 0.801 191 E CB -0.012 29.684 29.700 -0.007 0.000 0.743 191 E HN 0.437 nan 8.360 nan 0.000 0.453 192 Q N -0.238 119.407 119.800 -0.259 0.000 2.046 192 Q HA -0.136 4.252 4.340 0.081 0.000 0.200 192 Q C 2.059 177.730 176.000 -0.549 0.000 0.975 192 Q CA 1.472 57.063 55.803 -0.353 0.000 0.836 192 Q CB -0.196 28.214 28.738 -0.547 0.000 0.896 192 Q HN 0.323 nan 8.270 nan 0.000 0.428 193 A N 0.450 122.898 122.820 -0.619 0.000 2.019 193 A HA -0.199 4.169 4.320 0.081 0.000 0.219 193 A C 1.606 179.135 177.584 -0.093 0.000 1.164 193 A CA 1.623 53.385 52.037 -0.459 0.000 0.644 193 A CB -0.331 18.530 19.000 -0.232 0.000 0.805 193 A HN 0.516 nan 8.150 nan 0.000 0.449 194 E N -1.009 119.141 120.200 -0.084 0.000 2.340 194 E HA 0.019 4.418 4.350 0.081 0.000 0.194 194 E C 0.848 177.469 176.600 0.035 0.000 0.996 194 E CA 0.368 56.766 56.400 -0.002 0.000 0.869 194 E CB 0.123 29.815 29.700 -0.014 0.000 0.835 194 E HN 0.561 nan 8.360 nan 0.000 0.493 195 N N -0.496 118.221 118.700 0.028 0.000 2.193 195 N HA 0.154 4.942 4.740 0.081 0.000 0.210 195 N C -0.130 175.448 175.510 0.113 0.000 1.215 195 N CA 0.151 53.238 53.050 0.062 0.000 0.901 195 N CB 1.469 39.977 38.487 0.036 0.000 1.060 195 N HN -0.045 nan 8.380 nan 0.000 0.508 196 A N 0.436 123.346 122.820 0.151 0.000 2.344 196 A HA 0.895 5.264 4.320 0.081 0.000 0.307 196 A C -0.856 176.959 177.584 0.386 0.000 1.151 196 A CA -0.462 51.725 52.037 0.250 0.000 0.842 196 A CB 1.361 20.523 19.000 0.269 0.000 1.350 196 A HN 0.082 nan 8.150 nan 0.000 0.459 197 A N -0.751 122.238 122.820 0.282 0.000 2.384 197 A HA 0.760 5.128 4.320 0.081 0.000 0.312 197 A C -1.374 176.141 177.584 -0.114 0.000 1.113 197 A CA -0.452 51.616 52.037 0.052 0.000 0.779 197 A CB 1.283 20.176 19.000 -0.178 0.000 1.307 197 A HN 1.567 nan 8.150 nan 0.000 0.436 198 L N 1.062 122.071 121.223 -0.357 0.000 2.381 198 L HA 0.774 5.163 4.340 0.081 0.000 0.274 198 L C -1.893 175.034 176.870 0.096 0.000 0.988 198 L CA -0.275 54.342 54.840 -0.372 0.000 0.824 198 L CB 1.168 42.646 42.059 -0.968 0.000 1.263 198 L HN 0.523 nan 8.230 nan 0.000 0.410 199 F N 2.633 122.428 119.950 -0.258 0.000 2.450 199 F HA 0.760 5.337 4.527 0.083 0.000 0.332 199 F C 0.993 176.413 175.800 -0.634 0.000 1.093 199 F CA -1.026 56.757 58.000 -0.363 0.000 1.003 199 F CB 1.844 40.712 39.000 -0.220 0.000 1.151 199 F HN 0.564 nan 8.300 nan 0.000 0.474 200 G N 2.497 110.633 108.800 -1.106 0.000 2.477 200 G HA2 0.633 4.642 3.960 0.081 0.000 0.304 200 G HA3 0.633 4.642 3.960 0.081 0.000 0.304 200 G C -0.964 173.654 174.900 -0.470 0.000 1.175 200 G CA -0.601 43.690 45.100 -1.349 0.000 0.907 200 G HN 0.527 nan 8.290 nan 0.000 0.509 201 I N 0.546 120.948 120.570 -0.280 0.000 2.410 201 I HA 0.226 4.445 4.170 0.081 0.000 0.286 201 I C 0.114 176.191 176.117 -0.067 0.000 1.009 201 I CA -0.563 60.665 61.300 -0.121 0.000 1.111 201 I CB 2.003 39.953 38.000 -0.083 0.000 1.262 201 I HN 0.405 nan 8.210 nan 0.000 0.443 202 Q N 6.094 125.873 119.800 -0.035 0.000 2.304 202 Q HA 0.207 4.596 4.340 0.081 0.000 0.260 202 Q C -0.833 175.162 176.000 -0.010 0.000 0.965 202 Q CA -0.101 55.697 55.803 -0.008 0.000 0.898 202 Q CB 1.093 29.829 28.738 -0.003 0.000 1.196 202 Q HN 0.541 nan 8.270 nan 0.000 0.402 203 Q N 1.326 121.130 119.800 0.007 0.000 2.990 203 Q HA 0.552 4.941 4.340 0.081 0.000 0.255 203 Q C 0.228 176.260 176.000 0.053 0.000 1.040 203 Q CA -0.006 55.809 55.803 0.019 0.000 0.897 203 Q CB 1.511 30.251 28.738 0.003 0.000 1.429 203 Q HN 0.955 nan 8.270 nan 0.000 0.497 204 G N -0.347 108.501 108.800 0.080 0.000 2.183 204 G HA2 -0.212 3.797 3.960 0.081 0.000 0.168 204 G HA3 -0.212 3.797 3.960 0.081 0.000 0.168 204 G C 0.386 175.408 174.900 0.204 0.000 1.008 204 G CA 0.897 46.084 45.100 0.145 0.000 0.677 204 G HN 0.740 nan 8.290 nan 0.000 0.498 205 S N -2.143 113.635 115.700 0.130 0.000 3.938 205 S HA -0.372 4.147 4.470 0.081 0.000 0.624 205 S C 1.880 176.447 174.600 -0.056 0.000 2.186 205 S CA 3.487 61.728 58.200 0.068 0.000 4.144 205 S CB -1.206 62.093 63.200 0.165 0.000 0.230 205 S HN 1.998 nan 8.310 nan 0.000 0.755 206 V N -0.364 119.326 119.914 -0.373 0.000 3.596 206 V HA 0.524 4.693 4.120 0.081 0.000 0.289 206 V C 0.250 176.201 176.094 -0.238 0.000 1.336 206 V CA 0.310 62.417 62.300 -0.321 0.000 1.137 206 V CB -0.699 30.916 31.823 -0.347 0.000 0.966 206 V HN 0.451 nan 8.190 nan 0.000 0.428 207 F N 1.185 121.245 119.950 0.184 0.000 2.405 207 F HA 0.511 5.087 4.527 0.082 0.000 0.355 207 F C 1.550 177.327 175.800 -0.039 0.000 1.121 207 F CA -0.881 57.157 58.000 0.063 0.000 1.112 207 F CB 1.436 40.451 39.000 0.025 0.000 1.126 207 F HN 0.057 nan 8.300 nan 0.000 0.481 208 E N 2.678 122.746 120.200 -0.221 0.000 2.058 208 E HA -0.275 4.124 4.350 0.081 0.000 0.194 208 E C 1.874 178.360 176.600 -0.190 0.000 0.997 208 E CA 1.929 57.966 56.400 -0.604 0.000 0.801 208 E CB 0.091 29.161 29.700 -1.049 0.000 0.746 208 E HN 0.746 nan 8.360 nan 0.000 0.450 209 N N 0.647 119.292 118.700 -0.091 0.000 2.188 209 N HA -0.183 4.605 4.740 0.081 0.000 0.184 209 N C 1.793 177.303 175.510 0.000 0.000 1.018 209 N CA 0.958 53.980 53.050 -0.048 0.000 0.858 209 N CB -0.514 37.946 38.487 -0.045 0.000 0.989 209 N HN 0.180 nan 8.380 nan 0.000 0.426 210 L N 0.947 122.203 121.223 0.054 0.000 2.093 210 L HA 0.076 4.464 4.340 0.081 0.000 0.208 210 L C 2.583 179.499 176.870 0.077 0.000 1.085 210 L CA 1.137 56.020 54.840 0.072 0.000 0.755 210 L CB -0.703 41.438 42.059 0.137 0.000 0.904 210 L HN 0.127 nan 8.230 nan 0.000 0.435 211 R N -0.769 119.794 120.500 0.106 0.000 2.096 211 R HA -0.172 4.217 4.340 0.081 0.000 0.235 211 R C 2.153 178.491 176.300 0.064 0.000 1.127 211 R CA 1.007 57.175 56.100 0.113 0.000 0.968 211 R CB -0.387 30.050 30.300 0.228 0.000 0.861 211 R HN 0.372 nan 8.270 nan 0.000 0.440 212 Q N 1.196 121.017 119.800 0.034 0.000 2.046 212 Q HA -0.138 4.251 4.340 0.081 0.000 0.200 212 Q C 1.949 177.954 176.000 0.008 0.000 0.975 212 Q CA 1.719 57.528 55.803 0.010 0.000 0.836 212 Q CB -0.051 28.678 28.738 -0.014 0.000 0.896 212 Q HN 0.355 nan 8.270 nan 0.000 0.428 213 Q N -0.814 118.992 119.800 0.011 0.000 2.084 213 Q HA -0.139 4.250 4.340 0.081 0.000 0.202 213 Q C 2.201 178.214 176.000 0.021 0.000 0.978 213 Q CA 1.497 57.306 55.803 0.011 0.000 0.844 213 Q CB -0.277 28.465 28.738 0.006 0.000 0.898 213 Q HN 0.371 nan 8.270 nan 0.000 0.426 214 S N 0.255 115.971 115.700 0.028 0.000 2.356 214 S HA -0.179 4.340 4.470 0.081 0.000 0.223 214 S C 2.041 176.664 174.600 0.037 0.000 1.032 214 S CA 1.085 59.305 58.200 0.035 0.000 1.005 214 S CB -0.290 62.931 63.200 0.035 0.000 0.867 214 S HN 0.452 nan 8.310 nan 0.000 0.449 215 A N 1.780 124.610 122.820 0.016 0.000 1.903 215 A HA -0.201 4.168 4.320 0.081 0.000 0.219 215 A C 1.909 179.488 177.584 -0.010 0.000 1.191 215 A CA 2.228 54.254 52.037 -0.019 0.000 0.638 215 A CB -1.202 17.770 19.000 -0.048 0.000 0.823 215 A HN 0.609 nan 8.150 nan 0.000 0.451 216 D N -0.112 120.290 120.400 0.003 0.000 2.117 216 D HA -0.067 4.622 4.640 0.081 0.000 0.197 216 D C 2.260 178.588 176.300 0.047 0.000 0.987 216 D CA 1.601 55.608 54.000 0.013 0.000 0.829 216 D CB -0.567 40.238 40.800 0.010 0.000 0.961 216 D HN 0.453 nan 8.370 nan 0.000 0.460 217 A N 0.775 123.632 122.820 0.062 0.000 1.902 217 A HA -0.133 4.236 4.320 0.081 0.000 0.217 217 A C 2.426 180.110 177.584 0.167 0.000 1.181 217 A CA 0.988 53.081 52.037 0.094 0.000 0.623 217 A CB -0.785 18.265 19.000 0.084 0.000 0.818 217 A HN 0.204 nan 8.150 nan 0.000 0.443 218 L N -0.987 120.360 121.223 0.208 0.000 2.056 218 L HA -0.161 4.227 4.340 0.081 0.000 0.207 218 L C 3.076 180.234 176.870 0.479 0.000 1.078 218 L CA 1.036 56.127 54.840 0.419 0.000 0.749 218 L CB -0.552 41.736 42.059 0.381 0.000 0.901 218 L HN 0.441 nan 8.230 nan 0.000 0.433 219 A N 0.159 123.118 122.820 0.231 0.000 1.969 219 A HA -0.183 4.185 4.320 0.081 0.000 0.218 219 A C 2.390 180.053 177.584 0.131 0.000 1.169 219 A CA 1.779 53.910 52.037 0.156 0.000 0.635 219 A CB -0.691 18.297 19.000 -0.019 0.000 0.810 219 A HN 0.447 nan 8.150 nan 0.000 0.445 220 E N 0.257 120.519 120.200 0.103 0.000 2.072 220 E HA -0.106 4.293 4.350 0.081 0.000 0.191 220 E C 1.818 178.444 176.600 0.043 0.000 0.985 220 E CA 1.358 57.795 56.400 0.063 0.000 0.801 220 E CB -0.794 28.939 29.700 0.054 0.000 0.750 220 E HN 0.708 nan 8.360 nan 0.000 0.452 221 I N -0.472 120.134 120.570 0.061 0.000 2.142 221 I HA 0.192 4.410 4.170 0.081 0.000 0.240 221 I C 1.536 177.531 176.117 -0.204 0.000 1.078 221 I CA 1.287 62.547 61.300 -0.066 0.000 1.343 221 I CB -0.266 37.704 38.000 -0.050 0.000 1.046 221 I HN 0.527 nan 8.210 nan 0.000 0.405 222 G N 0.491 109.196 108.800 -0.159 0.000 3.225 222 G HA2 -0.109 3.899 3.960 0.081 0.000 0.686 222 G HA3 -0.109 3.899 3.960 0.081 0.000 0.686 222 G C -0.889 173.701 174.900 -0.516 0.000 1.105 222 G CA -0.902 44.131 45.100 -0.113 0.000 0.831 222 G HN 0.060 nan 8.290 nan 0.000 0.578 223 F N 0.263 120.138 119.950 -0.126 0.000 2.650 223 F HA 0.552 5.128 4.527 0.081 0.000 0.320 223 F C 0.965 176.481 175.800 -0.473 0.000 1.091 223 F CA -0.926 56.823 58.000 -0.418 0.000 0.962 223 F CB 1.557 40.110 39.000 -0.744 0.000 1.363 223 F HN 0.352 nan 8.300 nan 0.000 0.482 224 D N 0.214 120.408 120.400 -0.342 0.000 2.323 224 D HA 0.214 4.902 4.640 0.081 0.000 0.209 224 D C 0.557 176.412 176.300 -0.741 0.000 0.973 224 D CA 0.821 54.494 54.000 -0.545 0.000 0.874 224 D CB 0.491 40.736 40.800 -0.925 0.000 0.930 224 D HN 0.587 nan 8.370 nan 0.000 0.521 225 G N -0.598 107.461 108.800 -1.234 0.000 2.646 225 G HA2 0.471 4.480 3.960 0.081 0.000 0.291 225 G HA3 0.471 4.480 3.960 0.081 0.000 0.291 225 G C -2.067 171.934 174.900 -1.498 0.000 1.445 225 G CA -0.744 43.270 45.100 -1.811 0.000 0.814 225 G HN -0.065 nan 8.290 nan 0.000 0.495 226 Y N 0.058 120.031 120.300 -0.546 0.000 2.346 226 Y HA 0.665 5.264 4.550 0.081 0.000 0.332 226 Y C 0.520 176.371 175.900 -0.082 0.000 0.985 226 Y CA -0.675 57.286 58.100 -0.232 0.000 1.112 226 Y CB 2.311 40.697 38.460 -0.124 0.000 1.170 226 Y HN 0.817 nan 8.280 nan 0.000 0.447 227 A N 2.411 125.267 122.820 0.060 0.000 2.303 227 A HA 0.720 5.088 4.320 0.081 0.000 0.317 227 A C -0.810 176.734 177.584 -0.067 0.000 1.149 227 A CA -0.691 51.348 52.037 0.003 0.000 0.822 227 A CB 0.632 19.583 19.000 -0.081 0.000 1.131 227 A HN 0.545 nan 8.150 nan 0.000 0.493 228 V N 2.895 122.737 119.914 -0.120 0.000 2.353 228 V HA 0.496 4.665 4.120 0.081 0.000 0.264 228 V C 1.057 177.070 176.094 -0.135 0.000 1.049 228 V CA 0.299 62.536 62.300 -0.105 0.000 0.896 228 V CB 0.439 32.207 31.823 -0.091 0.000 1.025 228 V HN 1.083 nan 8.190 nan 0.000 0.475 229 G N 2.697 111.441 108.800 -0.094 0.000 2.531 229 G HA2 0.558 4.566 3.960 0.081 0.000 0.313 229 G HA3 0.558 4.566 3.960 0.081 0.000 0.313 229 G C 0.866 175.746 174.900 -0.034 0.000 1.238 229 G CA -0.098 44.956 45.100 -0.078 0.000 0.994 229 G HN 1.510 nan 8.290 nan 0.000 0.493 230 G N -1.883 106.918 108.800 0.002 0.000 2.155 230 G HA2 -0.216 3.792 3.960 0.081 0.000 0.257 230 G HA3 -0.216 3.792 3.960 0.081 0.000 0.257 230 G C 0.181 175.081 174.900 -0.001 0.000 0.983 230 G CA 0.769 45.883 45.100 0.023 0.000 0.676 230 G HN 0.592 nan 8.290 nan 0.000 0.528 231 L N -1.697 119.515 121.223 -0.018 0.000 2.256 231 L HA 0.724 5.112 4.340 0.081 0.000 0.261 231 L C 1.491 178.347 176.870 -0.024 0.000 1.022 231 L CA -0.620 54.188 54.840 -0.052 0.000 0.828 231 L CB 1.750 43.773 42.059 -0.061 0.000 1.374 231 L HN 1.199 nan 8.230 nan 0.000 0.436 232 A N 0.617 123.407 122.820 -0.050 0.000 2.869 232 A HA -0.130 4.239 4.320 0.081 0.000 0.280 232 A C 0.279 177.881 177.584 0.030 0.000 1.458 232 A CA 0.843 52.872 52.037 -0.013 0.000 0.776 232 A CB -2.295 16.713 19.000 0.013 0.000 1.028 232 A HN 1.008 nan 8.150 nan 0.000 0.547 233 V N -4.907 115.009 119.914 0.003 0.000 2.991 233 V HA 0.708 4.876 4.120 0.081 0.000 0.355 233 V C 1.233 177.369 176.094 0.070 0.000 1.384 233 V CA 0.600 62.950 62.300 0.082 0.000 1.171 233 V CB -0.172 31.725 31.823 0.123 0.000 1.190 233 V HN 2.352 nan 8.190 nan 0.000 0.540 234 G N 1.427 110.223 108.800 -0.006 0.000 2.227 234 G HA2 -0.194 3.815 3.960 0.081 0.000 0.168 234 G HA3 -0.194 3.815 3.960 0.081 0.000 0.168 234 G C 0.741 175.588 174.900 -0.088 0.000 1.006 234 G CA 0.275 45.396 45.100 0.035 0.000 0.684 234 G HN 0.669 nan 8.290 nan 0.000 0.489 235 E N 1.478 121.397 120.200 -0.468 0.000 2.435 235 E HA 0.389 4.787 4.350 0.081 0.000 0.195 235 E C 1.172 177.609 176.600 -0.271 0.000 1.029 235 E CA 1.216 57.198 56.400 -0.696 0.000 0.865 235 E CB -0.028 29.023 29.700 -1.081 0.000 0.833 235 E HN 1.947 nan 8.360 nan 0.000 0.510 236 G N 1.685 110.372 108.800 -0.189 0.000 2.721 236 G HA2 -0.297 3.712 3.960 0.081 0.000 0.686 236 G HA3 -0.297 3.712 3.960 0.081 0.000 0.686 236 G C 0.117 174.893 174.900 -0.208 0.000 1.236 236 G CA 0.062 45.075 45.100 -0.144 0.000 0.786 236 G HN 0.206 nan 8.290 nan 0.000 0.616 237 Q N -0.143 119.508 119.800 -0.248 0.000 2.096 237 Q HA -0.164 4.225 4.340 0.081 0.000 0.204 237 Q C 2.043 177.732 176.000 -0.518 0.000 0.982 237 Q CA 2.266 57.783 55.803 -0.476 0.000 0.850 237 Q CB -0.104 28.318 28.738 -0.526 0.000 0.901 237 Q HN 0.686 nan 8.270 nan 0.000 0.422 238 D N 0.180 120.411 120.400 -0.281 0.000 2.123 238 D HA -0.195 4.494 4.640 0.081 0.000 0.196 238 D C 1.732 177.984 176.300 -0.080 0.000 0.992 238 D CA 1.512 55.431 54.000 -0.135 0.000 0.833 238 D CB -0.166 40.596 40.800 -0.062 0.000 0.954 238 D HN 0.342 nan 8.370 nan 0.000 0.455 239 E N 0.193 120.327 120.200 -0.111 0.000 2.072 239 E HA -0.094 4.304 4.350 0.081 0.000 0.190 239 E C 2.087 178.614 176.600 -0.123 0.000 0.982 239 E CA 0.560 56.901 56.400 -0.098 0.000 0.803 239 E CB -0.199 29.427 29.700 -0.123 0.000 0.755 239 E HN 0.194 nan 8.360 nan 0.000 0.453 240 M N -0.620 118.883 119.600 -0.162 0.000 2.080 240 M HA -0.166 4.363 4.480 0.081 0.000 0.260 240 M C 1.329 177.657 176.300 0.047 0.000 1.068 240 M CA 1.533 56.770 55.300 -0.106 0.000 1.109 240 M CB -0.148 32.378 32.600 -0.123 0.000 1.342 240 M HN 0.149 nan 8.290 nan 0.000 0.405 241 F N 0.363 120.262 119.950 -0.084 0.000 2.171 241 F HA -0.146 4.429 4.527 0.080 0.000 0.300 241 F C 2.661 178.380 175.800 -0.135 0.000 1.090 241 F CA 1.510 59.466 58.000 -0.074 0.000 1.293 241 F CB -1.385 37.601 39.000 -0.024 0.000 1.013 241 F HN 0.288 nan 8.300 nan 0.000 0.486 242 R N 0.473 121.006 120.500 0.055 0.000 2.083 242 R HA -0.145 4.243 4.340 0.081 0.000 0.237 242 R C 2.096 178.162 176.300 -0.390 0.000 1.137 242 R CA 1.891 57.951 56.100 -0.066 0.000 0.951 242 R CB -0.507 29.793 30.300 0.001 0.000 0.851 242 R HN 0.132 nan 8.270 nan 0.000 0.434 243 V N 1.449 121.092 119.914 -0.452 0.000 2.407 243 V HA -0.232 3.937 4.120 0.081 0.000 0.248 243 V C 2.391 177.959 176.094 -0.878 0.000 1.055 243 V CA 1.613 63.346 62.300 -0.946 0.000 1.049 243 V CB -0.413 31.171 31.823 -0.398 0.000 0.662 243 V HN 0.340 nan 8.190 nan 0.000 0.455 244 L N -0.289 120.706 121.223 -0.379 0.000 2.083 244 L HA -0.183 4.206 4.340 0.081 0.000 0.209 244 L C 2.411 179.134 176.870 -0.244 0.000 1.083 244 L CA 1.435 56.138 54.840 -0.229 0.000 0.752 244 L CB -0.792 41.230 42.059 -0.061 0.000 0.899 244 L HN 0.319 nan 8.230 nan 0.000 0.433 245 D N 0.378 120.627 120.400 -0.251 0.000 2.133 245 D HA -0.233 4.455 4.640 0.081 0.000 0.192 245 D C 1.871 178.135 176.300 -0.059 0.000 1.001 245 D CA 1.886 55.808 54.000 -0.129 0.000 0.844 245 D CB -0.175 40.585 40.800 -0.067 0.000 0.944 245 D HN 0.495 nan 8.370 nan 0.000 0.447 246 F N -0.777 119.176 119.950 0.005 0.000 2.656 246 F HA 0.368 4.944 4.527 0.082 0.000 0.291 246 F C 2.180 177.967 175.800 -0.022 0.000 1.122 246 F CA -0.114 57.884 58.000 -0.004 0.000 1.427 246 F CB -0.547 38.456 39.000 0.005 0.000 1.125 246 F HN -0.253 nan 8.300 nan 0.000 0.583 247 S N 1.150 116.863 115.700 0.021 0.000 2.362 247 S HA -0.064 4.455 4.470 0.081 0.000 0.221 247 S C 2.185 176.761 174.600 -0.041 0.000 1.032 247 S CA 1.296 59.536 58.200 0.066 0.000 0.973 247 S CB -0.501 62.664 63.200 -0.058 0.000 0.849 247 S HN 0.249 nan 8.310 nan 0.000 0.465 248 V N 2.708 122.562 119.914 -0.100 0.000 2.343 248 V HA -0.072 4.097 4.120 0.081 0.000 0.247 248 V C -0.962 175.025 176.094 -0.177 0.000 1.051 248 V CA 1.492 63.684 62.300 -0.180 0.000 1.036 248 V CB -1.902 29.840 31.823 -0.136 0.000 0.654 248 V HN 0.321 nan 8.190 nan 0.000 0.451 249 P HA -0.119 nan 4.420 nan 0.000 0.223 249 P C 1.712 178.979 177.300 -0.055 0.000 1.144 249 P CA 1.339 64.416 63.100 -0.039 0.000 0.783 249 P CB -0.149 31.560 31.700 0.014 0.000 0.771 250 M N -1.913 117.649 119.600 -0.062 0.000 2.394 250 M HA -0.028 4.500 4.480 0.081 0.000 0.264 250 M C 0.729 176.941 176.300 -0.147 0.000 1.073 250 M CA 0.858 56.118 55.300 -0.068 0.000 1.111 250 M CB -0.493 32.090 32.600 -0.028 0.000 1.401 250 M HN -0.087 nan 8.290 nan 0.000 0.448 251 L N 0.808 121.887 121.223 -0.240 0.000 2.436 251 L HA 0.245 4.634 4.340 0.081 0.000 0.265 251 L C -2.024 174.690 176.870 -0.261 0.000 1.168 251 L CA -2.193 52.424 54.840 -0.371 0.000 0.815 251 L CB -0.388 41.359 42.059 -0.520 0.000 1.109 251 L HN -0.235 nan 8.230 nan 0.000 0.462 252 P HA -0.090 nan 4.420 nan 0.000 0.258 252 P C -0.021 177.387 177.300 0.180 0.000 1.172 252 P CA 0.424 63.475 63.100 -0.081 0.000 0.762 252 P CB 0.426 32.050 31.700 -0.125 0.000 0.764 253 D N 3.077 123.579 120.400 0.169 0.000 2.178 253 D HA -0.189 4.500 4.640 0.081 0.000 0.201 253 D C 1.070 177.490 176.300 0.200 0.000 0.980 253 D CA 1.223 55.363 54.000 0.232 0.000 0.842 253 D CB -0.027 40.851 40.800 0.131 0.000 0.948 253 D HN 0.370 nan 8.370 nan 0.000 0.472 254 D N -0.688 119.822 120.400 0.184 0.000 2.328 254 D HA -0.012 4.677 4.640 0.081 0.000 0.226 254 D C -0.092 176.425 176.300 0.361 0.000 1.066 254 D CA 0.162 54.281 54.000 0.199 0.000 0.861 254 D CB -0.064 40.817 40.800 0.135 0.000 0.912 254 D HN 0.164 nan 8.370 nan 0.000 0.521 255 K N 0.437 121.029 120.400 0.319 0.000 2.340 255 K HA 0.476 4.845 4.320 0.081 0.000 0.244 255 K C -2.894 173.579 176.600 -0.213 0.000 0.973 255 K CA -2.247 54.177 56.287 0.227 0.000 0.828 255 K CB 1.967 34.640 32.500 0.287 0.000 1.226 255 K HN -0.167 nan 8.250 nan 0.000 0.437 256 P HA 0.029 nan 4.420 nan 0.000 0.269 256 P C -1.168 175.975 177.300 -0.261 0.000 1.209 256 P CA 0.119 62.732 63.100 -0.811 0.000 0.776 256 P CB 0.258 31.549 31.700 -0.682 0.000 0.876 257 H N 1.169 120.160 119.070 -0.131 0.000 2.551 257 H HA 0.322 4.926 4.556 0.081 0.000 0.321 257 H C -0.879 174.442 175.328 -0.012 0.000 1.028 257 H CA -0.654 55.369 56.048 -0.041 0.000 1.215 257 H CB 0.691 30.434 29.762 -0.031 0.000 1.414 257 H HN 0.406 nan 8.280 nan 0.000 0.480 258 Y N 4.226 124.530 120.300 0.007 0.000 2.328 258 Y HA 0.279 4.878 4.550 0.082 0.000 0.337 258 Y C -1.558 174.279 175.900 -0.104 0.000 0.966 258 Y CA -1.894 56.163 58.100 -0.072 0.000 1.136 258 Y CB 0.841 39.352 38.460 0.085 0.000 1.170 258 Y HN 0.503 nan 8.280 nan 0.000 0.470 259 L N 7.829 128.933 121.223 -0.198 0.000 2.270 259 L HA 0.433 4.822 4.340 0.081 0.000 0.286 259 L C -0.645 176.038 176.870 -0.311 0.000 1.059 259 L CA -0.356 54.340 54.840 -0.240 0.000 0.839 259 L CB 0.146 42.153 42.059 -0.087 0.000 1.221 259 L HN 0.696 nan 8.230 nan 0.000 0.431 260 M N 5.146 124.417 119.600 -0.549 0.000 2.246 260 M HA 0.249 4.777 4.480 0.081 0.000 0.350 260 M C 1.405 177.600 176.300 -0.175 0.000 1.406 260 M CA 0.791 55.776 55.300 -0.524 0.000 1.089 260 M CB 0.230 32.527 32.600 -0.506 0.000 1.782 260 M HN 0.877 nan 8.290 nan 0.000 0.457 261 G N 2.471 111.233 108.800 -0.063 0.000 2.162 261 G HA2 -0.192 3.817 3.960 0.081 0.000 0.260 261 G HA3 -0.192 3.817 3.960 0.081 0.000 0.260 261 G C -0.137 174.812 174.900 0.083 0.000 0.976 261 G CA -0.132 44.946 45.100 -0.036 0.000 0.655 261 G HN 0.580 nan 8.290 nan 0.000 0.533 262 V N 0.252 120.281 119.914 0.192 0.000 2.472 262 V HA 0.890 5.059 4.120 0.081 0.000 0.290 262 V C 0.898 177.244 176.094 0.421 0.000 1.037 262 V CA 0.736 63.206 62.300 0.282 0.000 0.908 262 V CB 1.160 33.173 31.823 0.317 0.000 0.985 262 V HN 1.480 nan 8.190 nan 0.000 0.454 263 G N 4.130 113.117 108.800 0.311 0.000 2.399 263 G HA2 0.218 4.226 3.960 0.081 0.000 0.256 263 G HA3 0.218 4.226 3.960 0.081 0.000 0.256 263 G C -1.132 173.852 174.900 0.140 0.000 1.236 263 G CA -0.984 44.235 45.100 0.197 0.000 0.914 263 G HN 0.542 nan 8.290 nan 0.000 0.482 264 K N 1.022 121.482 120.400 0.100 0.000 2.286 264 K HA 0.270 4.639 4.320 0.081 0.000 0.256 264 K C -1.673 174.830 176.600 -0.161 0.000 0.999 264 K CA -0.825 55.486 56.287 0.040 0.000 0.908 264 K CB 0.968 33.571 32.500 0.172 0.000 0.981 264 K HN 0.042 nan 8.250 nan 0.000 0.500 265 P HA -0.245 nan 4.420 nan 0.000 0.216 265 P C 0.497 177.589 177.300 -0.347 0.000 1.153 265 P CA 1.516 64.277 63.100 -0.566 0.000 0.858 265 P CB 0.066 31.432 31.700 -0.558 0.000 0.789 266 D N -1.309 119.047 120.400 -0.074 0.000 2.224 266 D HA -0.145 4.544 4.640 0.081 0.000 0.205 266 D C 1.219 177.663 176.300 0.240 0.000 0.965 266 D CA 0.903 55.023 54.000 0.199 0.000 0.852 266 D CB -1.005 40.088 40.800 0.488 0.000 0.947 266 D HN 0.120 nan 8.370 nan 0.000 0.494 267 D N 1.127 121.633 120.400 0.177 0.000 2.117 267 D HA -0.086 4.603 4.640 0.081 0.000 0.197 267 D C 2.385 178.803 176.300 0.197 0.000 0.987 267 D CA 0.583 54.737 54.000 0.256 0.000 0.829 267 D CB -0.151 40.740 40.800 0.151 0.000 0.961 267 D HN 0.334 nan 8.370 nan 0.000 0.460 268 I N 0.522 121.023 120.570 -0.115 0.000 2.179 268 I HA -0.229 3.990 4.170 0.081 0.000 0.242 268 I C 2.486 178.469 176.117 -0.225 0.000 1.088 268 I CA 0.588 61.593 61.300 -0.490 0.000 1.357 268 I CB -0.153 37.347 38.000 -0.834 0.000 1.051 268 I HN -0.123 nan 8.210 nan 0.000 0.409 269 V N 1.021 120.841 119.914 -0.157 0.000 2.287 269 V HA -0.260 3.909 4.120 0.081 0.000 0.248 269 V C 2.564 178.720 176.094 0.103 0.000 1.053 269 V CA 2.307 64.607 62.300 0.000 0.000 1.027 269 V CB -1.477 30.260 31.823 -0.144 0.000 0.646 269 V HN 0.597 nan 8.190 nan 0.000 0.447 270 G N -0.766 108.071 108.800 0.061 0.000 2.432 270 G HA2 -0.149 3.859 3.960 0.081 0.000 0.219 270 G HA3 -0.149 3.859 3.960 0.081 0.000 0.219 270 G C 1.714 176.412 174.900 -0.337 0.000 1.135 270 G CA 0.973 45.898 45.100 -0.291 0.000 0.767 270 G HN 0.619 nan 8.290 nan 0.000 0.550 271 A N 0.098 122.931 122.820 0.021 0.000 1.929 271 A HA 0.167 4.536 4.320 0.081 0.000 0.216 271 A C 2.536 180.264 177.584 0.241 0.000 1.176 271 A CA 1.519 53.672 52.037 0.193 0.000 0.628 271 A CB -0.431 18.887 19.000 0.530 0.000 0.816 271 A HN 0.222 nan 8.150 nan 0.000 0.444 272 V N 0.339 120.438 119.914 0.309 0.000 2.515 272 V HA -0.233 3.936 4.120 0.081 0.000 0.250 272 V C 2.226 178.448 176.094 0.212 0.000 1.058 272 V CA 2.068 64.516 62.300 0.246 0.000 1.064 272 V CB -0.807 31.101 31.823 0.140 0.000 0.675 272 V HN 0.632 nan 8.190 nan 0.000 0.461 273 E N -0.112 120.261 120.200 0.289 0.000 2.265 273 E HA -0.176 4.223 4.350 0.081 0.000 0.196 273 E C 2.026 178.681 176.600 0.091 0.000 0.996 273 E CA 0.777 57.332 56.400 0.259 0.000 0.832 273 E CB -0.074 29.678 29.700 0.086 0.000 0.756 273 E HN 0.535 nan 8.360 nan 0.000 0.491 274 R N -1.036 119.484 120.500 0.033 0.000 2.397 274 R HA 0.139 4.527 4.340 0.081 0.000 0.241 274 R C 0.726 177.056 176.300 0.050 0.000 0.914 274 R CA 0.451 56.551 56.100 0.001 0.000 1.071 274 R CB 1.184 31.435 30.300 -0.083 0.000 1.116 274 R HN 0.186 nan 8.270 nan 0.000 0.524 275 G N 0.695 109.555 108.800 0.100 0.000 2.154 275 G HA2 -0.161 3.848 3.960 0.081 0.000 0.186 275 G HA3 -0.161 3.848 3.960 0.081 0.000 0.186 275 G C -0.082 174.936 174.900 0.195 0.000 1.000 275 G CA -0.707 44.484 45.100 0.151 0.000 0.664 275 G HN 0.044 nan 8.290 nan 0.000 0.513 276 I N 1.489 122.136 120.570 0.128 0.000 2.472 276 I HA 0.366 4.584 4.170 0.081 0.000 0.290 276 I C 0.464 176.569 176.117 -0.019 0.000 1.016 276 I CA -0.428 60.888 61.300 0.028 0.000 1.348 276 I CB 1.287 39.225 38.000 -0.104 0.000 1.417 276 I HN 0.054 nan 8.210 nan 0.000 0.521 277 D N 4.595 124.932 120.400 -0.106 0.000 2.454 277 D HA 0.212 4.901 4.640 0.081 0.000 0.219 277 D C 0.242 176.480 176.300 -0.102 0.000 1.081 277 D CA 0.675 54.639 54.000 -0.060 0.000 0.867 277 D CB 1.161 41.907 40.800 -0.090 0.000 1.054 277 D HN 0.389 nan 8.370 nan 0.000 0.500 278 M N 0.176 119.600 119.600 -0.294 0.000 2.501 278 M HA 0.456 4.984 4.480 0.081 0.000 0.293 278 M C -1.586 174.487 176.300 -0.379 0.000 1.192 278 M CA -0.558 54.618 55.300 -0.208 0.000 0.886 278 M CB 3.048 35.550 32.600 -0.164 0.000 1.710 278 M HN -0.297 nan 8.290 nan 0.000 0.457 279 F N 0.217 120.266 119.950 0.164 0.000 2.619 279 F HA 0.563 5.139 4.527 0.080 0.000 0.308 279 F C -0.841 174.924 175.800 -0.060 0.000 1.097 279 F CA -0.843 57.288 58.000 0.217 0.000 0.953 279 F CB 1.916 41.117 39.000 0.333 0.000 1.287 279 F HN 0.555 nan 8.300 nan 0.000 0.446 280 D N 0.481 120.990 120.400 0.182 0.000 2.753 280 D HA 0.620 5.309 4.640 0.081 0.000 0.224 280 D C -1.504 174.841 176.300 0.076 0.000 1.213 280 D CA -0.529 53.357 54.000 -0.191 0.000 0.833 280 D CB 2.339 43.073 40.800 -0.110 0.000 1.607 280 D HN 0.818 nan 8.370 nan 0.000 0.463 281 C N -0.052 119.299 119.300 0.085 0.000 3.302 281 C HA 0.492 5.001 4.460 0.081 0.000 0.347 281 C C 1.131 176.177 174.990 0.095 0.000 1.218 281 C CA -0.191 58.923 59.018 0.159 0.000 1.234 281 C CB 0.674 28.572 27.740 0.264 0.000 1.551 281 C HN 0.658 nan 8.230 nan 0.000 0.501 282 V N 1.424 121.355 119.914 0.030 0.000 3.306 282 V HA 0.039 4.208 4.120 0.081 0.000 0.264 282 V C 1.792 177.893 176.094 0.012 0.000 1.149 282 V CA 1.754 64.055 62.300 0.001 0.000 1.143 282 V CB -0.773 31.044 31.823 -0.011 0.000 0.767 282 V HN 1.110 nan 8.190 nan 0.000 0.476 283 L N 2.123 123.365 121.223 0.033 0.000 1.989 283 L HA 0.025 4.414 4.340 0.081 0.000 0.211 283 L C 0.232 177.154 176.870 0.086 0.000 1.071 283 L CA 2.814 57.707 54.840 0.088 0.000 0.749 283 L CB -1.743 40.406 42.059 0.150 0.000 0.890 283 L HN 0.289 nan 8.230 nan 0.000 0.431 284 P HA -0.153 nan 4.420 nan 0.000 0.216 284 P C 1.402 178.698 177.300 -0.007 0.000 1.150 284 P CA 2.475 65.504 63.100 -0.119 0.000 0.837 284 P CB -0.397 30.895 31.700 -0.681 0.000 0.786 285 T N -2.488 112.044 114.554 -0.036 0.000 2.781 285 T HA 0.004 4.402 4.350 0.081 0.000 0.252 285 T C 2.350 177.044 174.700 -0.011 0.000 1.039 285 T CA 1.434 63.521 62.100 -0.022 0.000 1.147 285 T CB -1.372 67.474 68.868 -0.038 0.000 0.865 285 T HN 0.043 nan 8.240 nan 0.000 0.423 286 R N 2.141 122.638 120.500 -0.005 0.000 2.082 286 R HA -0.042 4.347 4.340 0.081 0.000 0.234 286 R C 2.897 179.199 176.300 0.003 0.000 1.136 286 R CA 2.595 58.694 56.100 -0.003 0.000 0.935 286 R CB -1.843 28.461 30.300 0.007 0.000 0.842 286 R HN 0.768 nan 8.270 nan 0.000 0.430 287 S N -0.454 115.266 115.700 0.033 0.000 2.419 287 S HA 0.040 4.559 4.470 0.081 0.000 0.233 287 S C 2.397 176.977 174.600 -0.034 0.000 1.016 287 S CA 1.252 59.458 58.200 0.010 0.000 0.974 287 S CB -0.695 62.538 63.200 0.054 0.000 0.786 287 S HN 0.795 nan 8.310 nan 0.000 0.492 288 G N 2.319 111.116 108.800 -0.005 0.000 2.433 288 G HA2 -0.179 3.829 3.960 0.081 0.000 0.216 288 G HA3 -0.179 3.829 3.960 0.081 0.000 0.216 288 G C 1.696 176.563 174.900 -0.055 0.000 1.186 288 G CA 0.576 45.658 45.100 -0.029 0.000 0.779 288 G HN 0.589 nan 8.290 nan 0.000 0.543 289 R N 0.395 120.867 120.500 -0.047 0.000 2.193 289 R HA -0.008 4.381 4.340 0.081 0.000 0.229 289 R C 1.450 177.709 176.300 -0.069 0.000 1.110 289 R CA 0.966 57.029 56.100 -0.061 0.000 0.988 289 R CB -0.194 30.075 30.300 -0.053 0.000 0.871 289 R HN 0.280 nan 8.270 nan 0.000 0.458 290 N N -0.318 118.345 118.700 -0.061 0.000 2.322 290 N HA 0.026 4.815 4.740 0.081 0.000 0.194 290 N C 0.890 176.352 175.510 -0.080 0.000 1.126 290 N CA 0.924 53.936 53.050 -0.063 0.000 0.845 290 N CB 1.389 39.849 38.487 -0.045 0.000 0.976 290 N HN 0.454 nan 8.380 nan 0.000 0.475 291 G N 0.915 109.656 108.800 -0.098 0.000 2.179 291 G HA2 -0.251 3.758 3.960 0.081 0.000 0.220 291 G HA3 -0.251 3.758 3.960 0.081 0.000 0.220 291 G C 0.003 174.814 174.900 -0.148 0.000 0.990 291 G CA -0.246 44.785 45.100 -0.115 0.000 0.646 291 G HN 0.442 nan 8.290 nan 0.000 0.517 292 Q N 0.722 120.418 119.800 -0.173 0.000 2.279 292 Q HA 0.674 5.062 4.340 0.081 0.000 0.256 292 Q C -0.014 175.765 176.000 -0.368 0.000 0.937 292 Q CA 0.175 55.808 55.803 -0.282 0.000 0.933 292 Q CB 0.976 29.528 28.738 -0.310 0.000 1.189 292 Q HN 0.857 nan 8.270 nan 0.000 0.417 293 A N 4.439 127.015 122.820 -0.406 0.000 2.318 293 A HA 0.579 4.947 4.320 0.081 0.000 0.324 293 A C -1.263 176.030 177.584 -0.485 0.000 1.170 293 A CA -0.622 51.221 52.037 -0.323 0.000 0.810 293 A CB 0.507 19.349 19.000 -0.265 0.000 1.198 293 A HN 0.741 nan 8.150 nan 0.000 0.484 294 F N 1.742 121.569 119.950 -0.205 0.000 2.443 294 F HA 0.501 5.075 4.527 0.078 0.000 0.353 294 F C 1.387 176.677 175.800 -0.850 0.000 1.101 294 F CA 0.758 58.414 58.000 -0.573 0.000 1.226 294 F CB 1.645 40.213 39.000 -0.721 0.000 1.140 294 F HN 0.651 nan 8.300 nan 0.000 0.557 295 T N -1.534 112.652 114.554 -0.614 0.000 2.883 295 T HA 0.270 4.668 4.350 0.081 0.000 0.296 295 T C 0.151 174.749 174.700 -0.170 0.000 1.117 295 T CA -0.907 60.941 62.100 -0.420 0.000 1.006 295 T CB 0.802 69.581 68.868 -0.148 0.000 1.191 295 T HN 0.587 nan 8.240 nan 0.000 0.508 296 W N 0.258 121.759 121.300 0.336 0.000 2.525 296 W HA 0.127 4.835 4.660 0.080 0.000 0.259 296 W C 1.270 177.874 176.519 0.141 0.000 1.253 296 W CA 0.135 57.714 57.345 0.390 0.000 1.262 296 W CB 0.092 29.743 29.460 0.318 0.000 1.122 296 W HN 0.671 nan 8.180 nan 0.000 0.607 297 D N -0.177 120.338 120.400 0.192 0.000 2.319 297 D HA 0.239 4.927 4.640 0.081 0.000 0.230 297 D C 1.137 177.285 176.300 -0.253 0.000 1.094 297 D CA 1.074 55.064 54.000 -0.017 0.000 0.856 297 D CB 0.025 40.835 40.800 0.016 0.000 0.915 297 D HN 0.132 nan 8.370 nan 0.000 0.517 298 G N 2.110 110.625 108.800 -0.475 0.000 2.555 298 G HA2 -0.139 3.870 3.960 0.081 0.000 0.686 298 G HA3 -0.139 3.870 3.960 0.081 0.000 0.686 298 G C -3.047 171.566 174.900 -0.478 0.000 1.275 298 G CA -1.134 43.401 45.100 -0.942 0.000 0.871 298 G HN -0.132 nan 8.290 nan 0.000 0.603 299 P HA 0.584 nan 4.420 nan 0.000 0.274 299 P C 0.086 177.227 177.300 -0.266 0.000 1.231 299 P CA -0.239 62.648 63.100 -0.355 0.000 0.790 299 P CB 0.994 32.478 31.700 -0.361 0.000 0.951 300 I N -1.690 118.713 120.570 -0.278 0.000 2.785 300 I HA 0.546 4.765 4.170 0.081 0.000 0.302 300 I C -0.601 175.407 176.117 -0.181 0.000 1.069 300 I CA -1.085 60.116 61.300 -0.164 0.000 1.045 300 I CB 2.392 40.271 38.000 -0.201 0.000 1.236 300 I HN 0.102 nan 8.210 nan 0.000 0.429 301 N N 3.737 122.420 118.700 -0.030 0.000 2.457 301 N HA 0.243 5.031 4.740 0.081 0.000 0.250 301 N C 0.304 175.837 175.510 0.038 0.000 0.982 301 N CA -0.350 52.678 53.050 -0.037 0.000 0.941 301 N CB 1.799 40.287 38.487 0.001 0.000 1.120 301 N HN 0.850 nan 8.380 nan 0.000 0.505 302 I N 4.439 124.936 120.570 -0.122 0.000 2.756 302 I HA -0.050 4.169 4.170 0.081 0.000 0.262 302 I C 1.894 178.134 176.117 0.204 0.000 1.225 302 I CA 0.942 62.161 61.300 -0.134 0.000 1.472 302 I CB 0.051 37.913 38.000 -0.230 0.000 1.094 302 I HN 0.490 nan 8.210 nan 0.000 0.454 303 R N 0.366 120.935 120.500 0.114 0.000 2.280 303 R HA -0.052 4.336 4.340 0.081 0.000 0.207 303 R C 0.922 177.384 176.300 0.269 0.000 1.043 303 R CA 0.049 56.198 56.100 0.082 0.000 1.006 303 R CB -0.622 29.662 30.300 -0.026 0.000 0.885 303 R HN 0.350 nan 8.270 nan 0.000 0.467 304 N N 1.130 120.035 118.700 0.341 0.000 2.454 304 N HA -0.061 4.728 4.740 0.081 0.000 0.260 304 N C 0.822 176.445 175.510 0.187 0.000 1.218 304 N CA 0.347 53.526 53.050 0.214 0.000 0.904 304 N CB 1.140 39.698 38.487 0.119 0.000 1.065 304 N HN 0.111 nan 8.380 nan 0.000 0.462 305 A N 5.107 127.984 122.820 0.096 0.000 2.042 305 A HA -0.231 4.138 4.320 0.081 0.000 0.222 305 A C 1.972 179.448 177.584 -0.181 0.000 1.167 305 A CA 1.703 53.752 52.037 0.020 0.000 0.649 305 A CB -0.428 18.575 19.000 0.005 0.000 0.809 305 A HN 0.915 nan 8.150 nan 0.000 0.457 306 R N -1.992 118.318 120.500 -0.317 0.000 2.328 306 R HA -0.024 4.365 4.340 0.081 0.000 0.207 306 R C 0.574 176.527 176.300 -0.578 0.000 1.056 306 R CA 1.369 57.185 56.100 -0.473 0.000 1.016 306 R CB -0.489 29.447 30.300 -0.606 0.000 0.872 306 R HN 0.421 nan 8.270 nan 0.000 0.471 307 F N 1.367 121.196 119.950 -0.201 0.000 2.727 307 F HA 0.178 4.756 4.527 0.085 0.000 0.302 307 F C 2.111 177.661 175.800 -0.417 0.000 1.097 307 F CA 0.099 57.961 58.000 -0.230 0.000 1.330 307 F CB 0.492 39.421 39.000 -0.118 0.000 1.084 307 F HN 0.095 nan 8.300 nan 0.000 0.578 308 S N -0.328 115.071 115.700 -0.503 0.000 2.442 308 S HA -0.133 4.386 4.470 0.081 0.000 0.236 308 S C 1.096 175.607 174.600 -0.149 0.000 1.007 308 S CA 1.231 59.095 58.200 -0.561 0.000 0.965 308 S CB -0.293 62.709 63.200 -0.330 0.000 0.773 308 S HN 0.531 nan 8.310 nan 0.000 0.504 309 E N 0.479 120.626 120.200 -0.088 0.000 2.968 309 E HA 0.187 4.585 4.350 0.081 0.000 0.202 309 E C -1.250 175.354 176.600 0.007 0.000 0.979 309 E CA -0.235 56.154 56.400 -0.020 0.000 1.192 309 E CB 0.497 30.182 29.700 -0.025 0.000 1.059 309 E HN 0.279 nan 8.360 nan 0.000 0.470 310 D N 1.218 121.638 120.400 0.034 0.000 2.380 310 D HA 0.117 4.805 4.640 0.081 0.000 0.230 310 D C 0.721 177.070 176.300 0.080 0.000 1.154 310 D CA -0.163 53.881 54.000 0.073 0.000 0.859 310 D CB 0.994 41.894 40.800 0.166 0.000 1.045 310 D HN 0.174 nan 8.370 nan 0.000 0.495 311 L N 2.936 124.195 121.223 0.059 0.000 2.554 311 L HA 0.066 4.455 4.340 0.081 0.000 0.226 311 L C 1.291 178.194 176.870 0.055 0.000 1.137 311 L CA 0.297 55.171 54.840 0.057 0.000 0.863 311 L CB -0.090 41.991 42.059 0.037 0.000 0.985 311 L HN 0.141 nan 8.230 nan 0.000 0.451 312 K N 1.292 121.725 120.400 0.056 0.000 2.319 312 K HA 0.136 4.505 4.320 0.081 0.000 0.265 312 K C -2.128 174.495 176.600 0.038 0.000 1.000 312 K CA -1.617 54.698 56.287 0.046 0.000 0.943 312 K CB 0.125 32.656 32.500 0.051 0.000 0.950 312 K HN -0.155 nan 8.250 nan 0.000 0.485 313 P HA 0.003 nan 4.420 nan 0.000 0.274 313 P C 0.765 178.030 177.300 -0.057 0.000 1.256 313 P CA -0.141 62.965 63.100 0.011 0.000 0.795 313 P CB 0.533 32.250 31.700 0.028 0.000 1.038 314 L N -1.078 120.052 121.223 -0.154 0.000 1.997 314 L HA -0.138 4.251 4.340 0.081 0.000 0.216 314 L C 1.440 178.173 176.870 -0.228 0.000 1.074 314 L CA 1.799 56.447 54.840 -0.320 0.000 0.763 314 L CB -0.471 41.192 42.059 -0.660 0.000 0.890 314 L HN 0.518 nan 8.230 nan 0.000 0.434 315 D N -1.704 118.627 120.400 -0.115 0.000 2.671 315 D HA 0.112 4.800 4.640 0.081 0.000 0.232 315 D C 0.584 176.961 176.300 0.128 0.000 1.114 315 D CA 0.274 54.314 54.000 0.066 0.000 0.858 315 D CB 2.061 42.988 40.800 0.212 0.000 1.544 315 D HN -0.016 nan 8.370 nan 0.000 0.471 316 S N 2.112 117.904 115.700 0.154 0.000 2.453 316 S HA -0.043 4.476 4.470 0.081 0.000 0.231 316 S C 1.089 175.753 174.600 0.107 0.000 1.005 316 S CA 0.741 59.010 58.200 0.115 0.000 0.949 316 S CB 0.102 63.368 63.200 0.110 0.000 0.774 316 S HN 0.598 nan 8.310 nan 0.000 0.510 317 E N -0.359 119.950 120.200 0.182 0.000 2.434 317 E HA 0.215 4.614 4.350 0.081 0.000 0.207 317 E C 0.384 176.953 176.600 -0.052 0.000 0.929 317 E CA -0.288 56.159 56.400 0.079 0.000 1.001 317 E CB 0.690 30.478 29.700 0.148 0.000 1.016 317 E HN 0.491 nan 8.360 nan 0.000 0.502 318 C N 1.675 121.089 119.300 0.190 0.000 2.563 318 C HA -0.051 4.458 4.460 0.081 0.000 0.411 318 C C 1.177 176.159 174.990 -0.013 0.000 1.386 318 C CA 0.241 59.382 59.018 0.205 0.000 1.703 318 C CB -0.382 27.609 27.740 0.419 0.000 2.596 318 C HN 0.438 nan 8.230 nan 0.000 0.605 319 H N 3.123 122.330 119.070 0.229 0.000 2.529 319 H HA 0.167 4.770 4.556 0.078 0.000 0.277 319 H C 1.305 176.727 175.328 0.157 0.000 1.004 319 H CA 0.313 56.458 56.048 0.161 0.000 1.167 319 H CB -0.239 29.598 29.762 0.125 0.000 1.445 319 H HN 0.885 nan 8.280 nan 0.000 0.554 320 C N -0.161 119.302 119.300 0.272 0.000 2.649 320 C HA 0.540 5.049 4.460 0.081 0.000 0.377 320 C C 2.252 177.373 174.990 0.218 0.000 1.321 320 C CA -0.043 59.122 59.018 0.245 0.000 2.368 320 C CB 0.422 28.323 27.740 0.270 0.000 2.597 320 C HN 0.512 nan 8.230 nan 0.000 0.678 321 A N 1.917 124.861 122.820 0.207 0.000 2.019 321 A HA 0.018 4.387 4.320 0.081 0.000 0.219 321 A C 2.028 179.763 177.584 0.252 0.000 1.164 321 A CA 1.963 54.114 52.037 0.189 0.000 0.644 321 A CB -0.759 18.356 19.000 0.192 0.000 0.805 321 A HN 1.010 nan 8.150 nan 0.000 0.449 322 V N -1.200 118.920 119.914 0.343 0.000 2.379 322 V HA -0.265 3.904 4.120 0.081 0.000 0.245 322 V C 2.470 178.771 176.094 0.345 0.000 1.044 322 V CA 1.938 64.530 62.300 0.486 0.000 1.036 322 V CB -0.971 31.075 31.823 0.372 0.000 0.664 322 V HN 0.679 nan 8.190 nan 0.000 0.453 323 C N -0.247 119.193 119.300 0.233 0.000 2.456 323 C HA -0.107 4.402 4.460 0.081 0.000 0.279 323 C C 2.705 177.747 174.990 0.086 0.000 1.427 323 C CA 0.962 60.066 59.018 0.143 0.000 1.778 323 C CB -1.075 26.757 27.740 0.153 0.000 1.842 323 C HN 0.657 nan 8.230 nan 0.000 0.531 324 Q N 0.839 120.682 119.800 0.071 0.000 2.187 324 Q HA -0.104 4.284 4.340 0.081 0.000 0.199 324 Q C 1.737 177.666 176.000 -0.117 0.000 0.957 324 Q CA 1.303 57.104 55.803 -0.004 0.000 0.857 324 Q CB 0.135 28.880 28.738 0.012 0.000 0.929 324 Q HN 0.672 nan 8.270 nan 0.000 0.453 325 K N -1.687 118.580 120.400 -0.221 0.000 2.424 325 K HA 0.150 4.519 4.320 0.081 0.000 0.198 325 K C 0.149 176.362 176.600 -0.645 0.000 1.190 325 K CA -0.072 55.844 56.287 -0.619 0.000 0.935 325 K CB 0.939 32.662 32.500 -1.295 0.000 1.087 325 K HN 0.049 nan 8.250 nan 0.000 0.524 326 W N 2.099 123.424 121.300 0.043 0.000 2.781 326 W HA 0.336 5.019 4.660 0.038 0.000 0.345 326 W C 0.168 176.728 176.519 0.069 0.000 1.085 326 W CA -0.947 56.437 57.345 0.064 0.000 1.198 326 W CB 1.595 31.161 29.460 0.177 0.000 1.423 326 W HN -0.109 nan 8.180 nan 0.000 0.532 327 S N 0.583 116.483 115.700 0.335 0.000 2.672 327 S HA 0.412 4.930 4.470 0.081 0.000 0.276 327 S C 0.977 175.697 174.600 0.200 0.000 1.207 327 S CA -0.567 57.757 58.200 0.207 0.000 1.002 327 S CB 2.128 65.426 63.200 0.163 0.000 0.998 327 S HN 0.485 nan 8.310 nan 0.000 0.542 328 R N 0.718 121.277 120.500 0.098 0.000 2.103 328 R HA -0.136 4.253 4.340 0.081 0.000 0.242 328 R C 2.577 178.956 176.300 0.133 0.000 1.142 328 R CA 1.634 57.756 56.100 0.037 0.000 0.960 328 R CB -1.096 29.195 30.300 -0.015 0.000 0.858 328 R HN 0.844 nan 8.270 nan 0.000 0.439 329 A N 0.281 123.198 122.820 0.161 0.000 1.908 329 A HA -0.245 4.123 4.320 0.081 0.000 0.218 329 A C 2.004 179.760 177.584 0.288 0.000 1.181 329 A CA 1.486 53.630 52.037 0.180 0.000 0.627 329 A CB -0.736 18.345 19.000 0.135 0.000 0.818 329 A HN 0.487 nan 8.150 nan 0.000 0.445 330 Y N 0.273 120.672 120.300 0.165 0.000 2.163 330 Y HA -0.096 4.497 4.550 0.073 0.000 0.288 330 Y C 1.966 177.960 175.900 0.156 0.000 1.136 330 Y CA 1.491 59.702 58.100 0.186 0.000 1.147 330 Y CB -0.301 38.281 38.460 0.204 0.000 0.987 330 Y HN 0.257 nan 8.280 nan 0.000 0.509 331 I N -0.577 120.015 120.570 0.038 0.000 2.315 331 I HA -0.292 3.926 4.170 0.081 0.000 0.248 331 I C 2.417 178.473 176.117 -0.101 0.000 1.117 331 I CA 1.635 62.849 61.300 -0.144 0.000 1.404 331 I CB -0.592 37.362 38.000 -0.076 0.000 1.071 331 I HN 0.292 nan 8.210 nan 0.000 0.419 332 H N 0.558 119.589 119.070 -0.065 0.000 2.289 332 H HA -0.342 4.262 4.556 0.080 0.000 0.294 332 H C 2.383 177.693 175.328 -0.030 0.000 1.095 332 H CA 2.597 58.633 56.048 -0.020 0.000 1.256 332 H CB -0.253 29.558 29.762 0.080 0.000 1.359 332 H HN 0.418 nan 8.280 nan 0.000 0.487 333 H N -0.538 118.516 119.070 -0.028 0.000 2.319 333 H HA -0.123 4.480 4.556 0.080 0.000 0.299 333 H C 2.029 177.225 175.328 -0.220 0.000 1.092 333 H CA 1.935 57.920 56.048 -0.105 0.000 1.302 333 H CB -0.487 29.270 29.762 -0.007 0.000 1.373 333 H HN 0.356 nan 8.280 nan 0.000 0.497 334 L N 0.292 121.151 121.223 -0.607 0.000 2.017 334 L HA -0.156 4.233 4.340 0.081 0.000 0.208 334 L C 2.443 179.050 176.870 -0.438 0.000 1.073 334 L CA 1.300 55.758 54.840 -0.635 0.000 0.745 334 L CB -0.888 40.825 42.059 -0.576 0.000 0.894 334 L HN 0.434 nan 8.230 nan 0.000 0.432 335 I N -0.613 119.753 120.570 -0.341 0.000 2.252 335 I HA -0.223 3.996 4.170 0.081 0.000 0.245 335 I C 2.529 178.491 176.117 -0.259 0.000 1.102 335 I CA 1.018 62.161 61.300 -0.261 0.000 1.385 335 I CB -0.981 36.892 38.000 -0.212 0.000 1.064 335 I HN 0.351 nan 8.210 nan 0.000 0.414 336 R N 1.207 121.518 120.500 -0.316 0.000 2.096 336 R HA -0.048 4.341 4.340 0.081 0.000 0.235 336 R C 2.048 178.215 176.300 -0.221 0.000 1.127 336 R CA 1.414 57.354 56.100 -0.266 0.000 0.968 336 R CB -0.675 29.442 30.300 -0.306 0.000 0.861 336 R HN 0.331 nan 8.270 nan 0.000 0.440 337 A N 0.459 123.098 122.820 -0.302 0.000 2.206 337 A HA 0.219 4.588 4.320 0.081 0.000 0.211 337 A C 1.426 178.889 177.584 -0.200 0.000 1.158 337 A CA 0.789 52.671 52.037 -0.258 0.000 0.761 337 A CB -0.251 18.510 19.000 -0.400 0.000 0.801 337 A HN 0.451 nan 8.150 nan 0.000 0.473 338 G N -0.334 108.347 108.800 -0.199 0.000 2.198 338 G HA2 -0.227 3.782 3.960 0.081 0.000 0.260 338 G HA3 -0.227 3.782 3.960 0.081 0.000 0.260 338 G C -0.172 174.636 174.900 -0.153 0.000 1.025 338 G CA 0.338 45.346 45.100 -0.152 0.000 0.769 338 G HN 0.503 nan 8.290 nan 0.000 0.507 339 E N -0.669 119.409 120.200 -0.204 0.000 2.338 339 E HA 0.322 4.721 4.350 0.081 0.000 0.272 339 E C 1.831 178.334 176.600 -0.161 0.000 1.029 339 E CA -0.529 55.762 56.400 -0.182 0.000 0.872 339 E CB 0.683 30.241 29.700 -0.237 0.000 1.015 339 E HN 0.305 nan 8.360 nan 0.000 0.417 340 I N 2.267 122.765 120.570 -0.120 0.000 2.264 340 I HA -0.299 3.920 4.170 0.081 0.000 0.248 340 I C 2.218 178.260 176.117 -0.125 0.000 1.111 340 I CA 0.636 61.872 61.300 -0.106 0.000 1.382 340 I CB -0.183 37.772 38.000 -0.076 0.000 1.060 340 I HN 0.410 nan 8.210 nan 0.000 0.418 341 L N 1.168 122.305 121.223 -0.143 0.000 2.127 341 L HA -0.136 4.253 4.340 0.081 0.000 0.211 341 L C 2.273 179.004 176.870 -0.232 0.000 1.089 341 L CA 2.060 56.792 54.840 -0.180 0.000 0.757 341 L CB -1.170 40.779 42.059 -0.183 0.000 0.899 341 L HN 0.212 nan 8.230 nan 0.000 0.434 342 G N -1.276 107.375 108.800 -0.249 0.000 2.421 342 G HA2 -0.234 3.775 3.960 0.081 0.000 0.216 342 G HA3 -0.234 3.775 3.960 0.081 0.000 0.216 342 G C 1.615 176.410 174.900 -0.176 0.000 1.171 342 G CA 0.744 45.692 45.100 -0.253 0.000 0.775 342 G HN 0.606 nan 8.290 nan 0.000 0.543 343 A N 0.648 123.382 122.820 -0.143 0.000 1.902 343 A HA 0.006 4.375 4.320 0.081 0.000 0.217 343 A C 2.477 180.010 177.584 -0.084 0.000 1.181 343 A CA 1.904 53.879 52.037 -0.102 0.000 0.623 343 A CB -0.370 18.577 19.000 -0.088 0.000 0.818 343 A HN 0.392 nan 8.150 nan 0.000 0.443 344 M N -0.632 118.910 119.600 -0.095 0.000 2.086 344 M HA -0.095 4.433 4.480 0.081 0.000 0.261 344 M C 2.081 178.344 176.300 -0.061 0.000 1.067 344 M CA 1.427 56.684 55.300 -0.072 0.000 1.116 344 M CB -0.478 32.073 32.600 -0.083 0.000 1.348 344 M HN 0.351 nan 8.290 nan 0.000 0.407 345 L N -0.801 120.354 121.223 -0.113 0.000 2.072 345 L HA -0.147 4.242 4.340 0.081 0.000 0.205 345 L C 2.677 179.547 176.870 0.001 0.000 1.079 345 L CA 0.649 55.440 54.840 -0.082 0.000 0.752 345 L CB -0.572 41.367 42.059 -0.199 0.000 0.906 345 L HN 0.361 nan 8.230 nan 0.000 0.436 346 M N -0.495 119.083 119.600 -0.036 0.000 2.108 346 M HA -0.169 4.359 4.480 0.081 0.000 0.261 346 M C 2.290 178.625 176.300 0.058 0.000 1.066 346 M CA 1.880 57.181 55.300 0.000 0.000 1.107 346 M CB -1.308 31.258 32.600 -0.055 0.000 1.356 346 M HN 0.247 nan 8.290 nan 0.000 0.406 347 T N -0.381 114.189 114.554 0.025 0.000 2.857 347 T HA -0.131 4.268 4.350 0.081 0.000 0.266 347 T C 1.749 176.485 174.700 0.060 0.000 1.048 347 T CA 1.339 63.458 62.100 0.031 0.000 1.139 347 T CB -0.107 68.761 68.868 -0.001 0.000 0.874 347 T HN 0.468 nan 8.240 nan 0.000 0.455 348 E N 0.397 120.642 120.200 0.075 0.000 2.051 348 E HA -0.259 4.140 4.350 0.081 0.000 0.192 348 E C 2.076 178.763 176.600 0.146 0.000 0.991 348 E CA 1.394 57.857 56.400 0.106 0.000 0.799 348 E CB -0.123 29.649 29.700 0.120 0.000 0.748 348 E HN 0.669 nan 8.360 nan 0.000 0.449 349 H N 0.456 119.586 119.070 0.100 0.000 2.321 349 H HA -0.076 4.525 4.556 0.076 0.000 0.300 349 H C 1.880 177.311 175.328 0.171 0.000 1.087 349 H CA 2.316 58.442 56.048 0.131 0.000 1.319 349 H CB -0.113 29.705 29.762 0.093 0.000 1.379 349 H HN 0.127 nan 8.280 nan 0.000 0.501 350 N N 0.270 118.981 118.700 0.019 0.000 2.120 350 N HA -0.113 4.676 4.740 0.081 0.000 0.188 350 N C 1.857 177.404 175.510 0.062 0.000 1.024 350 N CA 1.197 54.285 53.050 0.064 0.000 0.852 350 N CB -0.138 38.472 38.487 0.204 0.000 1.003 350 N HN 0.370 nan 8.380 nan 0.000 0.424 351 I N 1.086 121.669 120.570 0.023 0.000 2.315 351 I HA -0.116 4.103 4.170 0.081 0.000 0.248 351 I C 2.182 178.346 176.117 0.079 0.000 1.117 351 I CA 0.591 61.910 61.300 0.032 0.000 1.404 351 I CB -1.441 36.591 38.000 0.053 0.000 1.071 351 I HN 0.006 nan 8.210 nan 0.000 0.419 352 A N 0.341 123.200 122.820 0.065 0.000 1.930 352 A HA -0.243 4.125 4.320 0.081 0.000 0.217 352 A C 2.305 179.918 177.584 0.048 0.000 1.175 352 A CA 1.147 53.232 52.037 0.079 0.000 0.627 352 A CB -1.012 18.053 19.000 0.108 0.000 0.815 352 A HN 0.373 nan 8.150 nan 0.000 0.443 353 F N -0.774 119.064 119.950 -0.188 0.000 2.095 353 F HA -0.213 4.360 4.527 0.077 0.000 0.298 353 F C 2.113 177.802 175.800 -0.184 0.000 1.104 353 F CA 1.913 59.763 58.000 -0.249 0.000 1.232 353 F CB -0.403 38.333 39.000 -0.440 0.000 0.987 353 F HN 0.289 nan 8.300 nan 0.000 0.475 354 Y N 0.843 121.013 120.300 -0.217 0.000 2.165 354 Y HA -0.258 4.340 4.550 0.081 0.000 0.286 354 Y C 2.607 178.330 175.900 -0.296 0.000 1.155 354 Y CA 1.864 59.712 58.100 -0.420 0.000 1.164 354 Y CB -0.726 37.307 38.460 -0.712 0.000 0.978 354 Y HN 0.160 nan 8.280 nan 0.000 0.513 355 Q N -0.147 119.663 119.800 0.018 0.000 2.172 355 Q HA -0.187 4.202 4.340 0.081 0.000 0.200 355 Q C 2.098 178.092 176.000 -0.011 0.000 0.964 355 Q CA 1.270 57.102 55.803 0.049 0.000 0.855 355 Q CB -0.377 28.424 28.738 0.104 0.000 0.918 355 Q HN 0.624 nan 8.270 nan 0.000 0.444 356 Q N 0.213 119.988 119.800 -0.041 0.000 2.167 356 Q HA -0.118 4.271 4.340 0.081 0.000 0.202 356 Q C 2.091 178.085 176.000 -0.009 0.000 0.970 356 Q CA 0.762 56.575 55.803 0.017 0.000 0.855 356 Q CB -0.097 28.721 28.738 0.134 0.000 0.911 356 Q HN 0.195 nan 8.270 nan 0.000 0.438 357 L N -0.006 121.111 121.223 -0.176 0.000 2.017 357 L HA -0.193 4.196 4.340 0.081 0.000 0.208 357 L C 1.947 178.728 176.870 -0.149 0.000 1.073 357 L CA 1.707 56.465 54.840 -0.136 0.000 0.745 357 L CB -0.328 41.431 42.059 -0.500 0.000 0.894 357 L HN 0.203 nan 8.230 nan 0.000 0.432 358 M N -0.843 118.670 119.600 -0.143 0.000 2.117 358 M HA -0.194 4.335 4.480 0.081 0.000 0.262 358 M C 2.361 178.602 176.300 -0.099 0.000 1.065 358 M CA 1.663 56.912 55.300 -0.086 0.000 1.114 358 M CB -1.544 31.069 32.600 0.022 0.000 1.361 358 M HN 0.409 nan 8.290 nan 0.000 0.408 359 Q N 0.830 120.582 119.800 -0.081 0.000 2.084 359 Q HA -0.106 4.283 4.340 0.081 0.000 0.202 359 Q C 1.906 177.801 176.000 -0.175 0.000 0.978 359 Q CA 1.791 57.538 55.803 -0.094 0.000 0.844 359 Q CB -0.115 28.592 28.738 -0.053 0.000 0.898 359 Q HN 0.473 nan 8.270 nan 0.000 0.426 360 K N -0.389 119.869 120.400 -0.237 0.000 2.097 360 K HA -0.066 4.303 4.320 0.081 0.000 0.205 360 K C 2.060 178.236 176.600 -0.707 0.000 1.050 360 K CA 1.330 57.340 56.287 -0.462 0.000 0.938 360 K CB -0.136 32.043 32.500 -0.535 0.000 0.718 360 K HN 0.277 nan 8.250 nan 0.000 0.442 361 I N 0.810 121.052 120.570 -0.546 0.000 2.179 361 I HA -0.288 3.930 4.170 0.081 0.000 0.242 361 I C 2.397 178.301 176.117 -0.356 0.000 1.088 361 I CA 1.270 62.309 61.300 -0.434 0.000 1.357 361 I CB -0.252 37.592 38.000 -0.260 0.000 1.051 361 I HN 0.137 nan 8.210 nan 0.000 0.409 362 R N 0.708 121.058 120.500 -0.250 0.000 2.083 362 R HA -0.186 4.203 4.340 0.081 0.000 0.237 362 R C 1.970 178.169 176.300 -0.167 0.000 1.137 362 R CA 1.805 57.795 56.100 -0.183 0.000 0.951 362 R CB -0.523 29.708 30.300 -0.114 0.000 0.851 362 R HN 0.384 nan 8.270 nan 0.000 0.434 363 D N 0.291 120.589 120.400 -0.171 0.000 2.117 363 D HA -0.132 4.557 4.640 0.081 0.000 0.197 363 D C 2.104 178.332 176.300 -0.122 0.000 0.987 363 D CA 1.911 55.830 54.000 -0.135 0.000 0.829 363 D CB -0.269 40.449 40.800 -0.136 0.000 0.961 363 D HN 0.243 nan 8.370 nan 0.000 0.460 364 S N 0.389 115.988 115.700 -0.168 0.000 2.383 364 S HA -0.099 4.419 4.470 0.081 0.000 0.227 364 S C 2.297 176.911 174.600 0.023 0.000 1.026 364 S CA 0.505 58.674 58.200 -0.052 0.000 0.981 364 S CB -0.643 62.533 63.200 -0.041 0.000 0.818 364 S HN 0.240 nan 8.310 nan 0.000 0.472 365 I N 2.037 122.570 120.570 -0.061 0.000 2.179 365 I HA -0.144 4.075 4.170 0.081 0.000 0.242 365 I C 2.993 179.087 176.117 -0.038 0.000 1.088 365 I CA 1.444 62.709 61.300 -0.058 0.000 1.357 365 I CB -0.563 37.303 38.000 -0.223 0.000 1.051 365 I HN 0.432 nan 8.210 nan 0.000 0.409 366 S N 0.302 115.963 115.700 -0.064 0.000 2.442 366 S HA -0.168 4.351 4.470 0.081 0.000 0.236 366 S C 1.676 176.259 174.600 -0.028 0.000 1.007 366 S CA 1.349 59.520 58.200 -0.050 0.000 0.965 366 S CB -0.273 62.892 63.200 -0.059 0.000 0.773 366 S HN 0.464 nan 8.310 nan 0.000 0.504 367 E N -0.413 119.776 120.200 -0.017 0.000 2.474 367 E HA 0.238 4.636 4.350 0.081 0.000 0.195 367 E C 1.029 177.641 176.600 0.020 0.000 1.039 367 E CA 0.246 56.644 56.400 -0.003 0.000 0.881 367 E CB 0.135 29.830 29.700 -0.007 0.000 0.970 367 E HN 0.584 nan 8.360 nan 0.000 0.486 368 G N 2.916 111.737 108.800 0.036 0.000 2.176 368 G HA2 -0.337 3.671 3.960 0.081 0.000 0.252 368 G HA3 -0.337 3.671 3.960 0.081 0.000 0.252 368 G C 0.516 175.461 174.900 0.075 0.000 1.024 368 G CA 0.663 45.796 45.100 0.055 0.000 0.755 368 G HN 0.411 nan 8.290 nan 0.000 0.507 369 R N -1.574 118.988 120.500 0.102 0.000 2.668 369 R HA 0.473 4.862 4.340 0.081 0.000 0.435 369 R C 1.218 177.628 176.300 0.184 0.000 1.059 369 R CA -0.220 55.945 56.100 0.109 0.000 1.073 369 R CB -0.235 30.113 30.300 0.081 0.000 1.401 369 R HN 0.255 nan 8.270 nan 0.000 0.590 370 F N 2.097 122.083 119.950 0.059 0.000 2.206 370 F HA -0.067 4.509 4.527 0.081 0.000 0.298 370 F C 2.321 178.211 175.800 0.150 0.000 1.090 370 F CA 1.569 59.631 58.000 0.104 0.000 1.323 370 F CB 0.012 39.042 39.000 0.050 0.000 1.028 370 F HN 0.193 nan 8.300 nan 0.000 0.492 371 S N -0.127 115.497 115.700 -0.126 0.000 2.356 371 S HA -0.297 4.222 4.470 0.081 0.000 0.223 371 S C 2.129 176.630 174.600 -0.164 0.000 1.032 371 S CA 1.530 59.584 58.200 -0.242 0.000 1.005 371 S CB -0.767 62.387 63.200 -0.077 0.000 0.867 371 S HN 0.541 nan 8.310 nan 0.000 0.449 372 Q N 0.498 120.272 119.800 -0.044 0.000 2.096 372 Q HA -0.091 4.298 4.340 0.081 0.000 0.204 372 Q C 1.799 177.793 176.000 -0.011 0.000 0.982 372 Q CA 2.128 57.923 55.803 -0.013 0.000 0.850 372 Q CB -1.010 27.747 28.738 0.031 0.000 0.901 372 Q HN 0.694 nan 8.270 nan 0.000 0.422 373 F N 0.179 120.074 119.950 -0.091 0.000 2.126 373 F HA -0.167 4.408 4.527 0.080 0.000 0.299 373 F C 1.880 177.633 175.800 -0.078 0.000 1.096 373 F CA 1.847 59.814 58.000 -0.055 0.000 1.255 373 F CB -0.675 38.336 39.000 0.019 0.000 0.997 373 F HN 0.138 nan 8.300 nan 0.000 0.479 374 A N -0.230 122.394 122.820 -0.327 0.000 1.969 374 A HA -0.200 4.168 4.320 0.081 0.000 0.218 374 A C 2.249 179.729 177.584 -0.172 0.000 1.169 374 A CA 1.496 53.319 52.037 -0.357 0.000 0.635 374 A CB -0.950 17.773 19.000 -0.463 0.000 0.810 374 A HN 0.632 nan 8.150 nan 0.000 0.445 375 Q N -0.215 119.497 119.800 -0.147 0.000 2.050 375 Q HA -0.230 4.159 4.340 0.081 0.000 0.202 375 Q C 1.268 177.231 176.000 -0.062 0.000 0.980 375 Q CA 1.855 57.620 55.803 -0.063 0.000 0.840 375 Q CB -0.181 28.527 28.738 -0.051 0.000 0.898 375 Q HN 0.580 nan 8.270 nan 0.000 0.424 376 D N 0.047 120.383 120.400 -0.107 0.000 2.123 376 D HA -0.178 4.511 4.640 0.081 0.000 0.196 376 D C 1.552 177.767 176.300 -0.141 0.000 0.992 376 D CA 1.003 54.937 54.000 -0.109 0.000 0.833 376 D CB -0.457 40.276 40.800 -0.111 0.000 0.954 376 D HN 0.293 nan 8.370 nan 0.000 0.455 377 F N 1.924 121.624 119.950 -0.416 0.000 2.046 377 F HA -0.170 4.405 4.527 0.080 0.000 0.297 377 F C 2.350 178.062 175.800 -0.146 0.000 1.123 377 F CA 1.567 59.341 58.000 -0.376 0.000 1.199 377 F CB -0.105 38.511 39.000 -0.641 0.000 0.972 377 F HN -0.220 nan 8.300 nan 0.000 0.474 378 R N 0.311 120.756 120.500 -0.091 0.000 2.091 378 R HA -0.160 4.228 4.340 0.081 0.000 0.238 378 R C 2.460 178.764 176.300 0.006 0.000 1.136 378 R CA 1.280 57.364 56.100 -0.026 0.000 0.959 378 R CB -0.985 29.496 30.300 0.302 0.000 0.856 378 R HN 0.455 nan 8.270 nan 0.000 0.437 379 A N 0.961 123.780 122.820 -0.001 0.000 1.940 379 A HA -0.176 4.193 4.320 0.081 0.000 0.219 379 A C 2.149 179.722 177.584 -0.017 0.000 1.176 379 A CA 1.193 53.244 52.037 0.022 0.000 0.631 379 A CB -0.358 18.644 19.000 0.003 0.000 0.814 379 A HN 0.144 nan 8.150 nan 0.000 0.446 380 R N -2.466 117.979 120.500 -0.092 0.000 2.080 380 R HA -0.036 4.352 4.340 0.081 0.000 0.222 380 R C 2.041 178.261 176.300 -0.133 0.000 1.107 380 R CA 1.255 57.310 56.100 -0.076 0.000 0.980 380 R CB -0.480 29.798 30.300 -0.037 0.000 0.879 380 R HN 0.615 nan 8.270 nan 0.000 0.439 381 Y N 0.152 120.141 120.300 -0.519 0.000 2.207 381 Y HA -0.180 4.418 4.550 0.080 0.000 0.287 381 Y C 1.363 176.938 175.900 -0.542 0.000 1.156 381 Y CA 1.763 59.446 58.100 -0.695 0.000 1.182 381 Y CB -0.173 37.436 38.460 -1.418 0.000 0.979 381 Y HN -0.008 nan 8.280 nan 0.000 0.521 382 F N -0.794 119.110 119.950 -0.078 0.000 2.727 382 F HA 0.338 4.915 4.527 0.083 0.000 0.302 382 F C 1.565 177.323 175.800 -0.070 0.000 1.097 382 F CA -0.279 57.678 58.000 -0.073 0.000 1.330 382 F CB -0.320 38.678 39.000 -0.003 0.000 1.084 382 F HN -0.003 nan 8.300 nan 0.000 0.578 383 A N 0.000 122.857 122.820 0.062 0.000 2.254 383 A HA 0.000 4.369 4.320 0.081 0.000 0.244 383 A CA 0.000 52.058 52.037 0.035 0.000 0.836 383 A CB 0.000 19.007 19.000 0.012 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486