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 1g8y_1_C DATA FIRST_RESID 2 DATA SEQUENCE ATHKPINILE AFAAAPPPLD YVLPNMVAGT VGALVSPGGA GKSMLALQLA DATA SEQUENCE AQIAGGPDLL EVGELPTGPV IYLPAEDPPT AIHHRLHALG AHLSAEERQA DATA SEQUENCE VADGLLIQPL IGSLPNIMAP EWFDGLKRAA EGRRLMVLDT LRRFHIEEEN DATA SEQUENCE ASGPMAQVIG RMEAIAADTG CSIVFLHHAX XXXXXXXXXX XXXXXXXXXV DATA SEQUENCE LVDNIRWQSY LSSMTSAEAE EWGVDDDQRR FFVRFGVSKA NYGAPFADRW DATA SEQUENCE FRRHDGGVLK PA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.429 177.584 -0.258 0.000 1.274 2 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 2 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 3 T N -0.673 113.631 114.554 -0.417 0.000 2.916 3 T HA 0.926 5.276 4.350 -0.000 0.000 0.292 3 T C -0.845 173.430 174.700 -0.709 0.000 1.055 3 T CA -0.692 61.153 62.100 -0.424 0.000 1.009 3 T CB 1.666 70.429 68.868 -0.175 0.000 1.118 3 T HN 0.841 nan 8.240 nan 0.000 0.497 4 H N 0.044 119.111 119.070 -0.005 0.000 2.930 4 H HA 0.453 5.009 4.556 -0.000 0.000 0.371 4 H C -0.727 174.593 175.328 -0.013 0.000 1.169 4 H CA -0.868 55.173 56.048 -0.011 0.000 1.157 4 H CB 1.973 31.728 29.762 -0.013 0.000 1.789 4 H HN 0.576 nan 8.280 nan 0.000 0.547 5 K N 1.857 122.313 120.400 0.094 0.000 2.202 5 K HA 0.284 4.604 4.320 -0.000 0.000 0.264 5 K C -2.145 174.480 176.600 0.042 0.000 1.010 5 K CA -1.395 54.918 56.287 0.045 0.000 0.940 5 K CB 0.130 32.643 32.500 0.022 0.000 0.983 5 K HN 0.283 nan 8.250 nan 0.000 0.475 6 P HA -0.020 nan 4.420 nan 0.000 0.268 6 P C -0.530 176.760 177.300 -0.017 0.000 1.208 6 P CA -0.172 62.929 63.100 0.001 0.000 0.777 6 P CB 0.368 32.065 31.700 -0.006 0.000 0.875 7 I N 2.591 123.139 120.570 -0.037 0.000 2.556 7 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 7 I C 0.910 176.981 176.117 -0.077 0.000 1.114 7 I CA -0.127 61.136 61.300 -0.062 0.000 1.418 7 I CB -0.417 37.532 38.000 -0.085 0.000 1.394 7 I HN 0.370 nan 8.210 nan 0.000 0.552 8 N N 7.162 125.814 118.700 -0.079 0.000 2.482 8 N HA 0.153 4.893 4.740 -0.000 0.000 0.242 8 N C 1.041 176.463 175.510 -0.146 0.000 1.100 8 N CA -0.024 52.975 53.050 -0.085 0.000 0.946 8 N CB 0.494 38.946 38.487 -0.059 0.000 1.227 8 N HN 0.497 nan 8.380 nan 0.000 0.508 9 I N 2.250 122.703 120.570 -0.195 0.000 2.226 9 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 9 I C 1.651 177.489 176.117 -0.466 0.000 1.100 9 I CA 0.681 61.751 61.300 -0.383 0.000 1.374 9 I CB 0.043 37.822 38.000 -0.368 0.000 1.057 9 I HN 0.428 nan 8.210 nan 0.000 0.413 10 L N 0.728 121.832 121.223 -0.198 0.000 2.056 10 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 10 L C 2.513 179.383 176.870 -0.001 0.000 1.078 10 L CA 1.826 56.648 54.840 -0.030 0.000 0.749 10 L CB -0.927 41.148 42.059 0.027 0.000 0.901 10 L HN 0.217 nan 8.230 nan 0.000 0.433 11 E N -0.373 119.803 120.200 -0.039 0.000 2.153 11 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 11 E C 2.081 178.670 176.600 -0.018 0.000 0.988 11 E CA 1.345 57.736 56.400 -0.016 0.000 0.811 11 E CB -0.122 29.562 29.700 -0.027 0.000 0.746 11 E HN 0.389 nan 8.360 nan 0.000 0.466 12 A N -0.391 122.378 122.820 -0.085 0.000 1.968 12 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 12 A C 2.125 179.740 177.584 0.052 0.000 1.169 12 A CA 0.889 52.883 52.037 -0.073 0.000 0.638 12 A CB -0.788 18.108 19.000 -0.174 0.000 0.812 12 A HN 0.418 nan 8.150 nan 0.000 0.446 13 F N -0.209 119.740 119.950 -0.002 0.000 2.146 13 F HA -0.117 4.409 4.527 -0.000 0.000 0.298 13 F C 2.792 178.592 175.800 0.000 0.000 1.096 13 F CA 0.450 58.450 58.000 0.000 0.000 1.275 13 F CB 0.027 39.028 39.000 0.001 0.000 1.008 13 F HN 0.340 nan 8.300 nan 0.000 0.480 14 A N 0.418 123.359 122.820 0.201 0.000 1.835 14 A HA 0.262 4.582 4.320 -0.000 0.000 0.213 14 A C 1.350 178.976 177.584 0.069 0.000 1.210 14 A CA 0.640 52.742 52.037 0.108 0.000 0.605 14 A CB -1.146 17.902 19.000 0.080 0.000 0.860 14 A HN 0.148 nan 8.150 nan 0.000 0.447 15 A N -0.127 122.724 122.820 0.051 0.000 2.462 15 A HA 0.521 4.841 4.320 -0.000 0.000 0.243 15 A C 0.519 178.122 177.584 0.033 0.000 1.076 15 A CA 0.207 52.262 52.037 0.031 0.000 0.773 15 A CB -0.350 18.659 19.000 0.016 0.000 1.010 15 A HN 1.415 nan 8.150 nan 0.000 0.493 16 A N 4.337 127.172 122.820 0.025 0.000 2.354 16 A HA 0.584 4.904 4.320 -0.000 0.000 0.281 16 A C -2.045 175.545 177.584 0.011 0.000 1.174 16 A CA -1.190 50.861 52.037 0.023 0.000 0.828 16 A CB -0.631 18.381 19.000 0.020 0.000 1.099 16 A HN 0.698 nan 8.150 nan 0.000 0.516 17 P HA 0.386 nan 4.420 nan 0.000 0.272 17 P C -2.390 174.900 177.300 -0.018 0.000 1.223 17 P CA -0.813 62.279 63.100 -0.013 0.000 0.784 17 P CB -0.236 31.450 31.700 -0.024 0.000 0.923 18 P HA 0.180 nan 4.420 nan 0.000 0.269 18 P C -2.264 175.012 177.300 -0.040 0.000 1.215 18 P CA -0.707 62.375 63.100 -0.031 0.000 0.780 18 P CB -0.975 30.701 31.700 -0.041 0.000 0.898 19 P HA 0.012 nan 4.420 nan 0.000 0.268 19 P C -0.552 176.693 177.300 -0.091 0.000 1.208 19 P CA -0.177 62.911 63.100 -0.019 0.000 0.777 19 P CB 0.237 31.949 31.700 0.020 0.000 0.875 20 L N 2.836 123.974 121.223 -0.142 0.000 2.513 20 L HA 0.032 4.371 4.340 -0.000 0.000 0.272 20 L C 0.470 177.029 176.870 -0.519 0.000 1.187 20 L CA 0.414 55.017 54.840 -0.394 0.000 0.895 20 L CB -0.749 40.981 42.059 -0.548 0.000 1.147 20 L HN 0.328 nan 8.230 nan 0.000 0.483 21 D N 3.955 124.092 120.400 -0.438 0.000 2.352 21 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 21 D C -1.107 174.954 176.300 -0.400 0.000 1.224 21 D CA 0.065 53.883 54.000 -0.303 0.000 0.879 21 D CB -0.067 40.620 40.800 -0.187 0.000 1.057 21 D HN 0.253 nan 8.370 nan 0.000 0.491 22 Y N 3.008 123.267 120.300 -0.068 0.000 2.341 22 Y HA 0.185 4.735 4.550 -0.000 0.000 0.340 22 Y C 1.264 177.096 175.900 -0.113 0.000 0.997 22 Y CA -0.722 57.324 58.100 -0.089 0.000 1.149 22 Y CB 1.815 40.243 38.460 -0.053 0.000 1.171 22 Y HN 0.237 nan 8.280 nan 0.000 0.494 23 V N 5.132 125.023 119.914 -0.038 0.000 2.488 23 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 23 V C 0.211 176.231 176.094 -0.123 0.000 1.046 23 V CA 1.442 63.684 62.300 -0.097 0.000 1.053 23 V CB -0.110 31.620 31.823 -0.155 0.000 0.679 23 V HN 0.651 nan 8.190 nan 0.000 0.458 24 L N -0.634 120.477 121.223 -0.188 0.000 2.359 24 L HA 0.499 4.839 4.340 -0.000 0.000 0.256 24 L C -2.631 174.151 176.870 -0.147 0.000 1.026 24 L CA -2.178 52.532 54.840 -0.217 0.000 0.828 24 L CB 2.184 43.974 42.059 -0.449 0.000 1.406 24 L HN -0.115 nan 8.230 nan 0.000 0.413 25 P HA 0.024 nan 4.420 nan 0.000 0.256 25 P C -0.446 176.882 177.300 0.047 0.000 1.173 25 P CA 0.784 63.808 63.100 -0.127 0.000 0.768 25 P CB 0.025 31.447 31.700 -0.464 0.000 0.758 26 N N -0.198 118.454 118.700 -0.080 0.000 2.909 26 N HA -0.222 4.518 4.740 -0.000 0.000 0.242 26 N C -0.094 175.637 175.510 0.368 0.000 0.975 26 N CA 0.755 53.891 53.050 0.145 0.000 0.921 26 N CB -1.339 37.317 38.487 0.282 0.000 1.112 26 N HN 0.442 nan 8.380 nan 0.000 0.581 27 M N 1.523 121.157 119.600 0.057 0.000 2.114 27 M HA 0.340 4.820 4.480 -0.000 0.000 0.332 27 M C -0.653 175.641 176.300 -0.010 0.000 1.014 27 M CA -0.771 54.366 55.300 -0.272 0.000 0.956 27 M CB 0.991 32.864 32.600 -1.213 0.000 1.551 27 M HN -0.144 nan 8.290 nan 0.000 0.427 28 V N 4.838 124.754 119.914 0.002 0.000 2.572 28 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 28 V C 0.775 176.762 176.094 -0.179 0.000 1.039 28 V CA -0.446 61.738 62.300 -0.193 0.000 1.055 28 V CB 0.578 32.251 31.823 -0.250 0.000 0.969 28 V HN 0.955 nan 8.190 nan 0.000 0.482 29 A N 4.226 126.927 122.820 -0.199 0.000 2.531 29 A HA 0.489 4.809 4.320 -0.000 0.000 0.236 29 A C 1.495 179.008 177.584 -0.119 0.000 1.062 29 A CA 0.589 52.538 52.037 -0.148 0.000 0.760 29 A CB -0.384 18.535 19.000 -0.134 0.000 0.995 29 A HN 2.224 nan 8.150 nan 0.000 0.501 30 G N 1.122 109.869 108.800 -0.088 0.000 2.157 30 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.239 30 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.239 30 G C 0.436 175.317 174.900 -0.032 0.000 0.982 30 G CA 1.055 46.123 45.100 -0.054 0.000 0.650 30 G HN 2.169 nan 8.290 nan 0.000 0.527 31 T N -2.850 111.678 114.554 -0.043 0.000 2.841 31 T HA 0.789 5.139 4.350 -0.000 0.000 0.276 31 T C -0.236 174.465 174.700 0.002 0.000 1.003 31 T CA -0.357 61.740 62.100 -0.005 0.000 0.995 31 T CB 2.672 71.547 68.868 0.012 0.000 1.260 31 T HN 0.820 nan 8.240 nan 0.000 0.581 32 V N 0.443 120.388 119.914 0.051 0.000 2.513 32 V HA 0.795 4.915 4.120 -0.000 0.000 0.299 32 V C 0.689 176.838 176.094 0.093 0.000 1.035 32 V CA -0.251 62.099 62.300 0.084 0.000 0.889 32 V CB 1.148 33.063 31.823 0.154 0.000 0.988 32 V HN 1.315 nan 8.190 nan 0.000 0.440 33 G N 2.288 111.111 108.800 0.038 0.000 2.680 33 G HA2 0.845 4.805 3.960 -0.000 0.000 0.290 33 G HA3 0.845 4.805 3.960 -0.000 0.000 0.290 33 G C -1.293 173.468 174.900 -0.232 0.000 1.355 33 G CA -0.327 44.834 45.100 0.103 0.000 0.903 33 G HN 1.085 nan 8.290 nan 0.000 0.474 34 A N -0.446 122.273 122.820 -0.169 0.000 2.414 34 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 34 A C -1.570 175.916 177.584 -0.163 0.000 1.054 34 A CA -0.602 51.068 52.037 -0.612 0.000 0.724 34 A CB 1.983 20.491 19.000 -0.820 0.000 1.267 34 A HN 1.379 nan 8.150 nan 0.000 0.418 35 L N 3.002 124.157 121.223 -0.112 0.000 2.319 35 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 35 L C -1.096 175.804 176.870 0.050 0.000 1.005 35 L CA -0.323 54.532 54.840 0.025 0.000 0.828 35 L CB 1.256 43.380 42.059 0.108 0.000 1.227 35 L HN 0.427 nan 8.230 nan 0.000 0.415 36 V N 4.181 124.132 119.914 0.062 0.000 2.667 36 V HA 0.946 5.066 4.120 -0.000 0.000 0.308 36 V C -0.050 176.116 176.094 0.120 0.000 1.048 36 V CA -0.054 62.313 62.300 0.112 0.000 0.928 36 V CB 1.673 33.570 31.823 0.123 0.000 1.004 36 V HN 0.971 nan 8.190 nan 0.000 0.444 37 S N 4.662 120.423 115.700 0.102 0.000 2.633 37 S HA 0.557 5.027 4.470 -0.000 0.000 0.271 37 S C -3.395 171.264 174.600 0.098 0.000 1.112 37 S CA -0.921 57.345 58.200 0.109 0.000 0.828 37 S CB 2.084 65.363 63.200 0.132 0.000 1.086 37 S HN 0.414 nan 8.310 nan 0.000 0.461 38 P HA 0.337 nan 4.420 nan 0.000 0.279 38 P C 1.325 178.661 177.300 0.060 0.000 1.239 38 P CA 0.463 63.593 63.100 0.050 0.000 0.789 38 P CB 0.554 32.271 31.700 0.029 0.000 0.933 39 G N 3.394 112.181 108.800 -0.022 0.000 3.364 39 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.282 39 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.282 39 G C 0.693 175.569 174.900 -0.040 0.000 1.007 39 G CA 1.049 46.036 45.100 -0.187 0.000 0.817 39 G HN 0.778 nan 8.290 nan 0.000 1.152 40 G N -1.757 107.027 108.800 -0.028 0.000 2.335 40 G HA2 0.681 4.641 3.960 -0.000 0.000 0.314 40 G HA3 0.681 4.641 3.960 -0.000 0.000 0.314 40 G C 0.147 175.066 174.900 0.032 0.000 1.129 40 G CA 0.603 45.708 45.100 0.008 0.000 0.912 40 G HN 1.518 nan 8.290 nan 0.000 0.443 41 A N 1.226 124.079 122.820 0.054 0.000 2.408 41 A HA 0.514 4.834 4.320 -0.000 0.000 0.195 41 A C 1.236 178.861 177.584 0.069 0.000 2.215 41 A CA 0.739 52.814 52.037 0.064 0.000 1.224 41 A CB -0.433 18.616 19.000 0.082 0.000 0.924 41 A HN 2.418 nan 8.150 nan 0.000 0.450 42 G N 0.367 109.206 108.800 0.065 0.000 2.138 42 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 42 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 42 G C 0.762 175.694 174.900 0.054 0.000 0.998 42 G CA 0.764 45.895 45.100 0.051 0.000 0.668 42 G HN 0.458 nan 8.290 nan 0.000 0.516 43 K N 0.505 120.958 120.400 0.088 0.000 2.034 43 K HA -0.139 4.181 4.320 -0.000 0.000 0.214 43 K C 2.686 179.322 176.600 0.061 0.000 1.051 43 K CA 1.951 58.291 56.287 0.088 0.000 0.931 43 K CB -0.302 32.270 32.500 0.120 0.000 0.715 43 K HN 0.380 nan 8.250 nan 0.000 0.446 44 S N 1.003 116.757 115.700 0.090 0.000 2.370 44 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 44 S C 1.862 176.462 174.600 -0.001 0.000 1.033 44 S CA 1.715 59.975 58.200 0.100 0.000 1.011 44 S CB -0.220 63.073 63.200 0.155 0.000 0.852 44 S HN 0.262 nan 8.310 nan 0.000 0.457 45 M N 1.391 120.980 119.600 -0.018 0.000 2.156 45 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 45 M C 1.838 178.046 176.300 -0.154 0.000 1.067 45 M CA 1.184 56.437 55.300 -0.080 0.000 1.131 45 M CB -0.683 31.878 32.600 -0.065 0.000 1.368 45 M HN 0.276 nan 8.290 nan 0.000 0.416 46 L N 0.490 121.629 121.223 -0.140 0.000 2.046 46 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 46 L C 2.298 179.039 176.870 -0.216 0.000 1.077 46 L CA 2.210 56.923 54.840 -0.212 0.000 0.747 46 L CB -1.231 40.726 42.059 -0.169 0.000 0.896 46 L HN 0.349 nan 8.230 nan 0.000 0.432 47 A N -0.685 122.039 122.820 -0.161 0.000 1.877 47 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 47 A C 2.220 179.593 177.584 -0.352 0.000 1.186 47 A CA 1.843 53.764 52.037 -0.193 0.000 0.620 47 A CB -1.047 17.887 19.000 -0.110 0.000 0.822 47 A HN 0.468 nan 8.150 nan 0.000 0.443 48 L N -0.161 120.806 121.223 -0.425 0.000 2.131 48 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 48 L C 2.354 179.045 176.870 -0.299 0.000 1.092 48 L CA 2.204 56.763 54.840 -0.468 0.000 0.759 48 L CB -0.698 41.160 42.059 -0.335 0.000 0.903 48 L HN 0.514 nan 8.230 nan 0.000 0.435 49 Q N -1.495 118.146 119.800 -0.266 0.000 2.096 49 Q HA -0.119 4.221 4.340 -0.000 0.000 0.197 49 Q C 2.075 177.940 176.000 -0.225 0.000 0.964 49 Q CA 0.940 56.594 55.803 -0.247 0.000 0.838 49 Q CB -0.121 28.437 28.738 -0.300 0.000 0.906 49 Q HN 0.344 nan 8.270 nan 0.000 0.444 50 L N 0.487 121.571 121.223 -0.232 0.000 2.042 50 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 50 L C 2.293 179.070 176.870 -0.155 0.000 1.076 50 L CA 1.976 56.706 54.840 -0.184 0.000 0.749 50 L CB -1.523 40.439 42.059 -0.162 0.000 0.893 50 L HN 0.182 nan 8.230 nan 0.000 0.432 51 A N -0.803 121.908 122.820 -0.183 0.000 1.898 51 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 51 A C 2.485 179.997 177.584 -0.120 0.000 1.181 51 A CA 1.592 53.538 52.037 -0.152 0.000 0.620 51 A CB -0.650 18.225 19.000 -0.207 0.000 0.819 51 A HN 0.388 nan 8.150 nan 0.000 0.442 52 A N -0.749 121.989 122.820 -0.137 0.000 1.933 52 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 52 A C 2.201 179.734 177.584 -0.086 0.000 1.175 52 A CA 1.771 53.748 52.037 -0.101 0.000 0.628 52 A CB -0.539 18.395 19.000 -0.110 0.000 0.814 52 A HN 0.675 nan 8.150 nan 0.000 0.444 53 Q N -0.262 119.478 119.800 -0.100 0.000 1.990 53 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 53 Q C 1.988 177.950 176.000 -0.063 0.000 0.980 53 Q CA 1.811 57.565 55.803 -0.081 0.000 0.832 53 Q CB -0.255 28.427 28.738 -0.092 0.000 0.897 53 Q HN 0.679 nan 8.270 nan 0.000 0.427 54 I N 1.052 121.581 120.570 -0.068 0.000 2.335 54 I HA -0.257 3.912 4.170 -0.000 0.000 0.251 54 I C 2.356 178.447 176.117 -0.044 0.000 1.129 54 I CA 0.885 62.152 61.300 -0.055 0.000 1.402 54 I CB -0.390 37.572 38.000 -0.064 0.000 1.069 54 I HN 0.266 nan 8.210 nan 0.000 0.424 55 A N 0.266 123.059 122.820 -0.045 0.000 2.070 55 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 55 A C 1.956 179.524 177.584 -0.028 0.000 1.159 55 A CA 1.563 53.581 52.037 -0.032 0.000 0.656 55 A CB -0.529 18.453 19.000 -0.031 0.000 0.800 55 A HN 0.586 nan 8.150 nan 0.000 0.453 56 G N -3.231 105.550 108.800 -0.032 0.000 2.321 56 G HA2 0.186 4.146 3.960 -0.000 0.000 0.174 56 G HA3 0.186 4.146 3.960 -0.000 0.000 0.174 56 G C 0.537 175.420 174.900 -0.028 0.000 1.008 56 G CA 0.079 45.164 45.100 -0.026 0.000 0.739 56 G HN 1.149 nan 8.290 nan 0.000 0.502 57 G N 0.007 108.784 108.800 -0.038 0.000 2.557 57 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 57 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 57 G C -2.177 172.697 174.900 -0.044 0.000 1.237 57 G CA -1.127 43.948 45.100 -0.042 0.000 0.978 57 G HN 0.131 nan 8.290 nan 0.000 0.498 58 P HA 0.113 nan 4.420 nan 0.000 0.270 58 P C -0.521 176.743 177.300 -0.061 0.000 1.223 58 P CA -0.061 63.012 63.100 -0.044 0.000 0.785 58 P CB 0.704 32.380 31.700 -0.040 0.000 0.923 59 D N 1.083 121.454 120.400 -0.048 0.000 3.179 59 D HA 0.093 4.733 4.640 -0.000 0.000 0.267 59 D C 1.106 177.364 176.300 -0.069 0.000 1.348 59 D CA 0.048 54.017 54.000 -0.053 0.000 0.897 59 D CB -0.890 39.900 40.800 -0.016 0.000 1.062 59 D HN 0.187 nan 8.370 nan 0.000 0.494 60 L N -0.030 121.125 121.223 -0.114 0.000 2.129 60 L HA -0.189 4.150 4.340 -0.000 0.000 0.212 60 L C 2.115 178.867 176.870 -0.198 0.000 1.087 60 L CA 0.883 55.633 54.840 -0.149 0.000 0.757 60 L CB -0.302 41.630 42.059 -0.213 0.000 0.896 60 L HN 0.371 nan 8.230 nan 0.000 0.434 61 L N -0.638 120.430 121.223 -0.257 0.000 2.291 61 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 61 L C 0.538 177.412 176.870 0.006 0.000 1.120 61 L CA 0.366 54.987 54.840 -0.364 0.000 0.799 61 L CB -0.400 41.381 42.059 -0.464 0.000 0.925 61 L HN 0.292 nan 8.230 nan 0.000 0.446 62 E N 0.280 120.498 120.200 0.030 0.000 2.246 62 E HA -0.168 4.182 4.350 -0.000 0.000 0.211 62 E C -0.474 176.242 176.600 0.194 0.000 1.278 62 E CA 0.249 56.713 56.400 0.107 0.000 0.694 62 E CB -1.258 28.514 29.700 0.119 0.000 1.166 62 E HN 0.407 nan 8.360 nan 0.000 0.370 63 V N -2.831 117.201 119.914 0.196 0.000 3.234 63 V HA 0.854 4.974 4.120 -0.000 0.000 0.317 63 V C 1.306 177.531 176.094 0.218 0.000 1.147 63 V CA -0.386 62.110 62.300 0.327 0.000 1.037 63 V CB 1.432 33.444 31.823 0.315 0.000 1.148 63 V HN 0.228 nan 8.190 nan 0.000 0.455 64 G N -0.027 108.926 108.800 0.255 0.000 2.825 64 G HA2 0.247 4.207 3.960 -0.000 0.000 0.241 64 G HA3 0.247 4.207 3.960 -0.000 0.000 0.241 64 G C -0.235 174.715 174.900 0.085 0.000 1.239 64 G CA 0.113 45.302 45.100 0.149 0.000 0.859 64 G HN 1.003 nan 8.290 nan 0.000 0.598 65 E N -1.012 119.224 120.200 0.060 0.000 2.289 65 E HA 0.426 4.776 4.350 -0.000 0.000 0.278 65 E C -0.152 176.467 176.600 0.031 0.000 1.032 65 E CA -0.149 56.273 56.400 0.037 0.000 0.854 65 E CB 0.670 30.389 29.700 0.032 0.000 1.046 65 E HN 0.307 nan 8.360 nan 0.000 0.409 66 L N 5.674 126.906 121.223 0.015 0.000 2.342 66 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 66 L C -2.003 174.868 176.870 0.001 0.000 1.008 66 L CA -2.386 52.459 54.840 0.009 0.000 0.818 66 L CB 1.742 43.796 42.059 -0.009 0.000 1.296 66 L HN 0.516 nan 8.230 nan 0.000 0.427 67 P HA 0.102 nan 4.420 nan 0.000 0.268 67 P C -0.498 176.792 177.300 -0.018 0.000 1.204 67 P CA -0.265 62.833 63.100 -0.004 0.000 0.768 67 P CB 0.576 32.275 31.700 -0.003 0.000 0.842 68 T N -0.309 114.234 114.554 -0.018 0.000 2.927 68 T HA 0.794 5.144 4.350 -0.000 0.000 0.281 68 T C 0.185 174.870 174.700 -0.024 0.000 0.998 68 T CA -0.495 61.592 62.100 -0.023 0.000 1.019 68 T CB 1.476 70.332 68.868 -0.020 0.000 1.061 68 T HN 0.612 nan 8.240 nan 0.000 0.518 69 G N 0.517 109.302 108.800 -0.025 0.000 2.355 69 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 69 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 69 G C -3.512 171.375 174.900 -0.021 0.000 1.507 69 G CA -1.154 43.932 45.100 -0.024 0.000 0.823 69 G HN 0.667 nan 8.290 nan 0.000 0.569 70 P HA 0.384 nan 4.420 nan 0.000 0.266 70 P C -0.414 176.880 177.300 -0.009 0.000 1.195 70 P CA -0.123 62.971 63.100 -0.010 0.000 0.768 70 P CB 1.175 32.871 31.700 -0.007 0.000 0.838 71 V N 4.577 124.492 119.914 0.000 0.000 2.841 71 V HA 0.483 4.603 4.120 -0.000 0.000 0.310 71 V C -0.203 175.914 176.094 0.037 0.000 1.090 71 V CA -0.665 61.640 62.300 0.008 0.000 0.930 71 V CB 2.355 34.174 31.823 -0.007 0.000 1.014 71 V HN 0.455 nan 8.190 nan 0.000 0.425 72 I N 3.837 124.440 120.570 0.055 0.000 2.436 72 I HA 0.577 4.747 4.170 -0.000 0.000 0.289 72 I C -1.879 174.332 176.117 0.157 0.000 1.010 72 I CA -0.740 60.613 61.300 0.090 0.000 1.098 72 I CB 1.613 39.651 38.000 0.063 0.000 1.266 72 I HN 0.769 nan 8.210 nan 0.000 0.434 73 Y N 7.951 128.266 120.300 0.025 0.000 2.341 73 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 73 Y C -1.550 174.390 175.900 0.066 0.000 0.965 73 Y CA -1.273 56.846 58.100 0.031 0.000 1.108 73 Y CB 1.351 39.826 38.460 0.025 0.000 1.180 73 Y HN 0.425 nan 8.280 nan 0.000 0.458 74 L N 9.787 130.891 121.223 -0.198 0.000 2.371 74 L HA 0.392 4.732 4.340 -0.000 0.000 0.262 74 L C -2.507 174.188 176.870 -0.292 0.000 1.054 74 L CA -1.825 52.922 54.840 -0.155 0.000 0.924 74 L CB 1.055 43.201 42.059 0.145 0.000 1.295 74 L HN 0.493 nan 8.230 nan 0.000 0.441 75 P HA 0.169 nan 4.420 nan 0.000 0.287 75 P C 0.098 177.321 177.300 -0.130 0.000 1.307 75 P CA -0.239 62.629 63.100 -0.386 0.000 0.777 75 P CB 2.071 33.497 31.700 -0.456 0.000 0.883 76 A N 3.332 126.133 122.820 -0.032 0.000 2.390 76 A HA 0.155 4.475 4.320 -0.000 0.000 0.232 76 A C 1.259 178.803 177.584 -0.066 0.000 1.233 76 A CA 0.237 52.216 52.037 -0.096 0.000 0.907 76 A CB -0.092 18.773 19.000 -0.225 0.000 0.967 76 A HN 0.502 nan 8.150 nan 0.000 0.512 77 E N 0.003 120.197 120.200 -0.010 0.000 2.601 77 E HA 0.083 4.433 4.350 -0.000 0.000 0.219 77 E C -0.999 175.611 176.600 0.016 0.000 0.964 77 E CA -0.194 56.216 56.400 0.016 0.000 1.050 77 E CB 0.647 30.397 29.700 0.083 0.000 1.068 77 E HN 0.349 nan 8.360 nan 0.000 0.496 78 D N 1.771 122.173 120.400 0.004 0.000 2.256 78 D HA 0.265 4.905 4.640 -0.000 0.000 0.246 78 D C -2.483 173.800 176.300 -0.028 0.000 1.042 78 D CA -1.896 52.105 54.000 0.002 0.000 0.841 78 D CB 1.728 42.544 40.800 0.028 0.000 1.223 78 D HN -0.158 nan 8.370 nan 0.000 0.470 79 P HA 0.151 nan 4.420 nan 0.000 0.272 79 P C -1.895 175.348 177.300 -0.095 0.000 1.223 79 P CA -1.061 62.006 63.100 -0.055 0.000 0.784 79 P CB 0.314 31.986 31.700 -0.048 0.000 0.923 80 P HA -0.260 nan 4.420 nan 0.000 0.216 80 P C 1.498 178.475 177.300 -0.538 0.000 1.157 80 P CA 2.309 65.252 63.100 -0.262 0.000 0.880 80 P CB -0.702 30.885 31.700 -0.189 0.000 0.791 81 T N -2.439 111.889 114.554 -0.377 0.000 2.778 81 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 81 T C 1.879 176.562 174.700 -0.029 0.000 1.050 81 T CA 1.541 63.509 62.100 -0.220 0.000 1.137 81 T CB -1.325 67.550 68.868 0.011 0.000 0.860 81 T HN 0.075 nan 8.240 nan 0.000 0.468 82 A N 1.540 124.332 122.820 -0.047 0.000 1.969 82 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 82 A C 2.394 180.024 177.584 0.078 0.000 1.169 82 A CA 1.105 53.157 52.037 0.025 0.000 0.635 82 A CB -0.547 18.452 19.000 -0.001 0.000 0.810 82 A HN 0.519 nan 8.150 nan 0.000 0.445 83 I N -0.233 120.338 120.570 0.003 0.000 2.252 83 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 83 I C 2.180 178.405 176.117 0.181 0.000 1.102 83 I CA 1.549 62.899 61.300 0.083 0.000 1.385 83 I CB -1.975 36.061 38.000 0.060 0.000 1.064 83 I HN 0.505 nan 8.210 nan 0.000 0.414 84 H N -0.402 118.741 119.070 0.121 0.000 2.319 84 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 84 H C 2.343 177.714 175.328 0.071 0.000 1.092 84 H CA 1.414 57.510 56.048 0.081 0.000 1.302 84 H CB -0.091 29.699 29.762 0.047 0.000 1.373 84 H HN 0.401 nan 8.280 nan 0.000 0.497 85 H N 0.693 119.877 119.070 0.191 0.000 2.353 85 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 85 H C 2.378 177.794 175.328 0.146 0.000 1.090 85 H CA 1.084 57.220 56.048 0.145 0.000 1.327 85 H CB 0.144 29.959 29.762 0.088 0.000 1.383 85 H HN 0.331 nan 8.280 nan 0.000 0.508 86 R N 0.284 120.919 120.500 0.226 0.000 2.092 86 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 86 R C 2.546 178.909 176.300 0.105 0.000 1.119 86 R CA 0.640 56.824 56.100 0.141 0.000 0.970 86 R CB -0.113 30.251 30.300 0.107 0.000 0.864 86 R HN 0.247 nan 8.270 nan 0.000 0.440 87 L N -1.117 120.182 121.223 0.126 0.000 2.072 87 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 87 L C 2.443 179.356 176.870 0.071 0.000 1.079 87 L CA 1.260 56.152 54.840 0.086 0.000 0.752 87 L CB -0.463 41.660 42.059 0.107 0.000 0.906 87 L HN 0.208 nan 8.230 nan 0.000 0.436 88 H N -0.044 119.040 119.070 0.024 0.000 2.352 88 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 88 H C 2.118 177.464 175.328 0.030 0.000 1.097 88 H CA 1.692 57.739 56.048 -0.001 0.000 1.311 88 H CB 0.120 29.847 29.762 -0.058 0.000 1.377 88 H HN 0.308 nan 8.280 nan 0.000 0.504 89 A N 0.306 123.188 122.820 0.103 0.000 1.873 89 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 89 A C 2.391 180.024 177.584 0.082 0.000 1.186 89 A CA 1.467 53.561 52.037 0.096 0.000 0.616 89 A CB -0.948 18.136 19.000 0.138 0.000 0.823 89 A HN 0.487 nan 8.150 nan 0.000 0.442 90 L N 0.315 121.552 121.223 0.024 0.000 2.046 90 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 90 L C 2.319 179.205 176.870 0.027 0.000 1.077 90 L CA 2.383 57.208 54.840 -0.026 0.000 0.747 90 L CB -0.993 41.020 42.059 -0.077 0.000 0.896 90 L HN 0.289 nan 8.230 nan 0.000 0.432 91 G N -0.848 107.934 108.800 -0.030 0.000 2.485 91 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.221 91 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.221 91 G C 1.463 176.324 174.900 -0.064 0.000 1.115 91 G CA 0.648 45.708 45.100 -0.065 0.000 0.751 91 G HN 0.665 nan 8.290 nan 0.000 0.567 92 A N -0.499 122.288 122.820 -0.056 0.000 2.239 92 A HA 0.120 4.439 4.320 -0.000 0.000 0.209 92 A C 1.558 179.053 177.584 -0.149 0.000 1.171 92 A CA 0.608 52.579 52.037 -0.110 0.000 0.768 92 A CB -0.378 18.543 19.000 -0.132 0.000 0.790 92 A HN 0.584 nan 8.150 nan 0.000 0.478 93 H N -1.930 117.093 119.070 -0.079 0.000 2.784 93 H HA 0.316 4.872 4.556 -0.000 0.000 0.273 93 H C -1.036 174.252 175.328 -0.066 0.000 1.112 93 H CA -0.242 55.765 56.048 -0.068 0.000 1.162 93 H CB 0.549 30.260 29.762 -0.086 0.000 1.586 93 H HN 0.257 nan 8.280 nan 0.000 0.548 94 L N 1.390 122.633 121.223 0.034 0.000 2.362 94 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 94 L C 0.685 177.543 176.870 -0.019 0.000 1.002 94 L CA -0.704 54.136 54.840 -0.000 0.000 0.818 94 L CB 1.895 43.947 42.059 -0.012 0.000 1.298 94 L HN 0.062 nan 8.230 nan 0.000 0.420 95 S N 0.711 116.400 115.700 -0.017 0.000 2.608 95 S HA 0.461 4.931 4.470 -0.000 0.000 0.261 95 S C 1.318 175.905 174.600 -0.020 0.000 1.314 95 S CA -0.038 58.150 58.200 -0.019 0.000 0.992 95 S CB 0.836 64.027 63.200 -0.015 0.000 0.935 95 S HN 0.749 nan 8.310 nan 0.000 0.564 96 A N 0.773 123.582 122.820 -0.019 0.000 1.940 96 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 96 A C 2.002 179.577 177.584 -0.015 0.000 1.176 96 A CA 1.925 53.952 52.037 -0.018 0.000 0.631 96 A CB -1.200 17.791 19.000 -0.015 0.000 0.814 96 A HN 0.901 nan 8.150 nan 0.000 0.446 97 E N 0.175 120.367 120.200 -0.013 0.000 2.051 97 E HA -0.162 4.187 4.350 -0.000 0.000 0.192 97 E C 1.933 178.525 176.600 -0.014 0.000 0.991 97 E CA 1.597 57.990 56.400 -0.012 0.000 0.799 97 E CB -0.297 29.397 29.700 -0.010 0.000 0.748 97 E HN 0.774 nan 8.360 nan 0.000 0.449 98 E N 0.421 120.612 120.200 -0.016 0.000 2.110 98 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 98 E C 2.145 178.733 176.600 -0.021 0.000 0.988 98 E CA 0.759 57.148 56.400 -0.019 0.000 0.804 98 E CB -0.073 29.615 29.700 -0.020 0.000 0.745 98 E HN 0.150 nan 8.360 nan 0.000 0.458 99 R N 0.544 121.032 120.500 -0.020 0.000 2.070 99 R HA -0.183 4.156 4.340 -0.000 0.000 0.233 99 R C 2.468 178.759 176.300 -0.015 0.000 1.137 99 R CA 1.515 57.602 56.100 -0.020 0.000 0.945 99 R CB -0.269 30.018 30.300 -0.022 0.000 0.845 99 R HN 0.046 nan 8.270 nan 0.000 0.430 100 Q N 0.845 120.637 119.800 -0.013 0.000 2.096 100 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 100 Q C 1.912 177.906 176.000 -0.010 0.000 0.982 100 Q CA 2.134 57.931 55.803 -0.010 0.000 0.850 100 Q CB -0.314 28.419 28.738 -0.009 0.000 0.901 100 Q HN 0.354 nan 8.270 nan 0.000 0.422 101 A N -0.632 122.181 122.820 -0.012 0.000 1.877 101 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 101 A C 2.304 179.879 177.584 -0.014 0.000 1.186 101 A CA 1.737 53.766 52.037 -0.013 0.000 0.620 101 A CB -0.944 18.047 19.000 -0.015 0.000 0.822 101 A HN 0.275 nan 8.150 nan 0.000 0.443 102 V N -0.173 119.731 119.914 -0.017 0.000 2.295 102 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 102 V C 3.020 179.110 176.094 -0.007 0.000 1.049 102 V CA 2.028 64.317 62.300 -0.018 0.000 1.024 102 V CB -1.190 30.619 31.823 -0.024 0.000 0.648 102 V HN 0.616 nan 8.190 nan 0.000 0.447 103 A N -0.560 122.258 122.820 -0.003 0.000 2.067 103 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 103 A C 1.876 179.463 177.584 0.004 0.000 1.158 103 A CA 1.723 53.762 52.037 0.004 0.000 0.661 103 A CB -0.464 18.538 19.000 0.003 0.000 0.801 103 A HN 0.553 nan 8.150 nan 0.000 0.452 104 D N -0.800 119.599 120.400 -0.001 0.000 2.234 104 D HA 0.028 4.667 4.640 -0.000 0.000 0.205 104 D C 1.698 177.998 176.300 -0.000 0.000 0.962 104 D CA 1.404 55.403 54.000 -0.001 0.000 0.855 104 D CB -0.063 40.734 40.800 -0.004 0.000 0.951 104 D HN 0.457 nan 8.370 nan 0.000 0.500 105 G N -0.513 108.286 108.800 -0.002 0.000 3.274 105 G HA2 0.198 4.158 3.960 -0.000 0.000 0.250 105 G HA3 0.198 4.158 3.960 -0.000 0.000 0.250 105 G C -0.034 174.868 174.900 0.004 0.000 1.024 105 G CA -0.144 44.955 45.100 -0.002 0.000 0.840 105 G HN 0.087 nan 8.290 nan 0.000 0.522 106 L N 1.611 122.841 121.223 0.011 0.000 2.287 106 L HA 0.763 5.103 4.340 -0.000 0.000 0.287 106 L C -1.089 175.808 176.870 0.046 0.000 1.022 106 L CA -1.204 53.651 54.840 0.026 0.000 0.814 106 L CB 1.804 43.874 42.059 0.019 0.000 1.217 106 L HN -0.039 nan 8.230 nan 0.000 0.420 107 L N 6.723 127.984 121.223 0.062 0.000 2.313 107 L HA 0.643 4.983 4.340 -0.000 0.000 0.283 107 L C -1.180 175.756 176.870 0.109 0.000 1.013 107 L CA -0.066 54.816 54.840 0.071 0.000 0.816 107 L CB 1.256 43.348 42.059 0.055 0.000 1.236 107 L HN 0.545 nan 8.230 nan 0.000 0.419 108 I N 4.780 125.419 120.570 0.116 0.000 2.382 108 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 108 I C -0.739 175.426 176.117 0.081 0.000 1.007 108 I CA -0.590 60.795 61.300 0.141 0.000 1.142 108 I CB 1.672 39.791 38.000 0.200 0.000 1.289 108 I HN 0.600 nan 8.210 nan 0.000 0.453 109 Q N 9.335 129.163 119.800 0.046 0.000 2.425 109 Q HA 0.461 4.801 4.340 -0.000 0.000 0.254 109 Q C -2.629 173.376 176.000 0.008 0.000 1.032 109 Q CA -1.968 53.861 55.803 0.044 0.000 0.798 109 Q CB 1.425 30.205 28.738 0.071 0.000 1.210 109 Q HN 0.230 nan 8.270 nan 0.000 0.491 110 P HA 0.051 nan 4.420 nan 0.000 0.268 110 P C -0.480 176.811 177.300 -0.016 0.000 1.205 110 P CA 0.254 63.337 63.100 -0.028 0.000 0.771 110 P CB 0.646 32.339 31.700 -0.013 0.000 0.858 111 L N 2.451 123.640 121.223 -0.056 0.000 3.333 111 L HA 0.330 4.669 4.340 -0.000 0.000 0.299 111 L C 0.725 177.517 176.870 -0.131 0.000 1.256 111 L CA -0.380 54.408 54.840 -0.087 0.000 1.037 111 L CB 0.257 42.219 42.059 -0.161 0.000 1.423 111 L HN 0.382 nan 8.230 nan 0.000 0.605 112 I N 1.441 121.956 120.570 -0.092 0.000 2.668 112 I HA 0.102 4.272 4.170 -0.000 0.000 0.285 112 I C 1.398 177.467 176.117 -0.079 0.000 1.168 112 I CA 1.340 62.587 61.300 -0.090 0.000 1.424 112 I CB 0.572 38.536 38.000 -0.060 0.000 1.377 112 I HN 0.464 nan 8.210 nan 0.000 0.560 113 G N 4.032 112.774 108.800 -0.098 0.000 2.155 113 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 113 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 113 G C 0.783 175.643 174.900 -0.067 0.000 0.983 113 G CA 0.593 45.648 45.100 -0.075 0.000 0.676 113 G HN 0.647 nan 8.290 nan 0.000 0.528 114 S N -0.056 115.583 115.700 -0.103 0.000 2.524 114 S HA 0.304 4.774 4.470 -0.000 0.000 0.216 114 S C 1.300 175.827 174.600 -0.122 0.000 0.987 114 S CA 0.440 58.614 58.200 -0.044 0.000 0.909 114 S CB -0.136 63.060 63.200 -0.005 0.000 0.781 114 S HN 1.110 nan 8.310 nan 0.000 0.521 115 L N 0.488 121.550 121.223 -0.268 0.000 3.677 115 L HA -0.120 4.220 4.340 -0.000 0.000 0.464 115 L C -2.779 173.715 176.870 -0.626 0.000 1.278 115 L CA -0.621 54.018 54.840 -0.335 0.000 0.806 115 L CB -1.690 40.280 42.059 -0.147 0.000 1.610 115 L HN 0.154 nan 8.230 nan 0.000 0.867 116 P HA 0.171 nan 4.420 nan 0.000 0.271 116 P C -0.195 176.528 177.300 -0.962 0.000 1.216 116 P CA 0.042 61.987 63.100 -1.926 0.000 0.776 116 P CB 0.723 31.313 31.700 -1.851 0.000 0.881 117 N N 2.862 121.141 118.700 -0.703 0.000 2.540 117 N HA 0.173 4.913 4.740 -0.000 0.000 0.275 117 N C 0.303 175.892 175.510 0.132 0.000 1.053 117 N CA -0.439 52.534 53.050 -0.129 0.000 0.876 117 N CB 0.430 38.911 38.487 -0.011 0.000 1.284 117 N HN 0.290 nan 8.380 nan 0.000 0.518 118 I N 2.321 123.003 120.570 0.186 0.000 2.756 118 I HA -0.113 4.057 4.170 -0.000 0.000 0.262 118 I C 0.933 177.210 176.117 0.267 0.000 1.225 118 I CA 0.810 62.289 61.300 0.297 0.000 1.472 118 I CB 0.280 38.440 38.000 0.267 0.000 1.094 118 I HN 0.504 nan 8.210 nan 0.000 0.454 119 M N 0.499 120.202 119.600 0.171 0.000 2.595 119 M HA 0.192 4.671 4.480 -0.000 0.000 0.248 119 M C 0.885 177.253 176.300 0.114 0.000 1.119 119 M CA 0.181 55.543 55.300 0.103 0.000 1.079 119 M CB -1.136 31.505 32.600 0.068 0.000 1.472 119 M HN 0.164 nan 8.290 nan 0.000 0.501 120 A N 0.554 123.487 122.820 0.188 0.000 2.306 120 A HA 0.541 4.860 4.320 -0.000 0.000 0.314 120 A C -1.633 176.092 177.584 0.235 0.000 1.164 120 A CA -1.290 50.861 52.037 0.191 0.000 0.822 120 A CB 0.390 19.532 19.000 0.236 0.000 1.130 120 A HN 0.116 nan 8.150 nan 0.000 0.496 121 P HA -0.192 nan 4.420 nan 0.000 0.215 121 P C 0.816 178.213 177.300 0.163 0.000 1.157 121 P CA 1.658 64.852 63.100 0.157 0.000 0.874 121 P CB 0.241 31.989 31.700 0.081 0.000 0.790 122 E N -1.433 118.814 120.200 0.079 0.000 2.051 122 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 122 E C 1.963 178.512 176.600 -0.085 0.000 0.991 122 E CA 1.362 57.727 56.400 -0.058 0.000 0.799 122 E CB -1.056 28.532 29.700 -0.187 0.000 0.748 122 E HN 0.366 nan 8.360 nan 0.000 0.449 123 W N -0.206 121.148 121.300 0.090 0.000 2.381 123 W HA -0.078 4.582 4.660 -0.000 0.000 0.301 123 W C 2.098 178.681 176.519 0.107 0.000 1.205 123 W CA 0.577 57.976 57.345 0.090 0.000 1.285 123 W CB -0.473 29.045 29.460 0.097 0.000 1.133 123 W HN 0.039 nan 8.180 nan 0.000 0.521 124 F N 1.676 121.780 119.950 0.256 0.000 2.095 124 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 124 F C 2.108 177.972 175.800 0.108 0.000 1.104 124 F CA 2.413 60.511 58.000 0.164 0.000 1.232 124 F CB -0.862 38.203 39.000 0.108 0.000 0.987 124 F HN -0.135 nan 8.300 nan 0.000 0.475 125 D N -0.529 119.936 120.400 0.108 0.000 2.117 125 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 125 D C 2.458 178.703 176.300 -0.091 0.000 0.987 125 D CA 1.594 55.589 54.000 -0.009 0.000 0.829 125 D CB -0.730 40.103 40.800 0.055 0.000 0.961 125 D HN 0.348 nan 8.370 nan 0.000 0.460 126 G N 0.302 109.062 108.800 -0.066 0.000 2.421 126 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 126 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 126 G C 1.729 176.619 174.900 -0.018 0.000 1.171 126 G CA 0.681 45.738 45.100 -0.073 0.000 0.775 126 G HN 0.332 nan 8.290 nan 0.000 0.543 127 L N 0.288 121.527 121.223 0.026 0.000 2.046 127 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 127 L C 2.807 179.603 176.870 -0.124 0.000 1.077 127 L CA 1.703 56.549 54.840 0.010 0.000 0.747 127 L CB -0.356 41.724 42.059 0.035 0.000 0.896 127 L HN 0.247 nan 8.230 nan 0.000 0.432 128 K N 0.549 120.777 120.400 -0.287 0.000 2.032 128 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 128 K C 2.283 178.802 176.600 -0.136 0.000 1.048 128 K CA 1.480 57.600 56.287 -0.279 0.000 0.927 128 K CB -0.024 32.229 32.500 -0.412 0.000 0.712 128 K HN 0.175 nan 8.250 nan 0.000 0.441 129 R N -0.192 120.245 120.500 -0.104 0.000 2.120 129 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 129 R C 2.264 178.539 176.300 -0.041 0.000 1.123 129 R CA 1.141 57.205 56.100 -0.061 0.000 0.975 129 R CB -0.237 30.032 30.300 -0.052 0.000 0.866 129 R HN 0.269 nan 8.270 nan 0.000 0.446 130 A N 0.716 123.517 122.820 -0.031 0.000 2.067 130 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 130 A C 2.172 179.749 177.584 -0.011 0.000 1.156 130 A CA 1.203 53.236 52.037 -0.006 0.000 0.683 130 A CB -0.197 18.819 19.000 0.027 0.000 0.808 130 A HN 0.354 nan 8.150 nan 0.000 0.455 131 A N -0.163 122.638 122.820 -0.032 0.000 2.021 131 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 131 A C 0.873 178.439 177.584 -0.030 0.000 1.163 131 A CA 0.094 52.112 52.037 -0.033 0.000 0.676 131 A CB -0.214 18.755 19.000 -0.052 0.000 0.818 131 A HN 0.566 nan 8.150 nan 0.000 0.453 132 E N -0.629 119.552 120.200 -0.032 0.000 2.480 132 E HA 0.313 4.663 4.350 -0.000 0.000 0.258 132 E C 1.100 177.688 176.600 -0.020 0.000 0.984 132 E CA 0.610 56.994 56.400 -0.027 0.000 0.930 132 E CB 0.061 29.744 29.700 -0.027 0.000 0.936 132 E HN 0.615 nan 8.360 nan 0.000 0.466 133 G N 3.558 112.346 108.800 -0.020 0.000 2.162 133 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 133 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 133 G C 0.162 175.052 174.900 -0.017 0.000 0.976 133 G CA 0.048 45.138 45.100 -0.017 0.000 0.655 133 G HN 0.454 nan 8.290 nan 0.000 0.533 134 R N -0.817 119.672 120.500 -0.018 0.000 2.664 134 R HA 0.582 4.922 4.340 -0.000 0.000 0.286 134 R C 1.186 177.471 176.300 -0.025 0.000 0.967 134 R CA -0.641 55.449 56.100 -0.018 0.000 0.933 134 R CB 1.264 31.557 30.300 -0.012 0.000 1.146 134 R HN 0.179 nan 8.270 nan 0.000 0.468 135 R N 0.873 121.356 120.500 -0.029 0.000 2.140 135 R HA 0.096 4.436 4.340 -0.000 0.000 0.213 135 R C -0.179 176.092 176.300 -0.049 0.000 1.059 135 R CA 0.814 56.890 56.100 -0.040 0.000 1.000 135 R CB 0.361 30.636 30.300 -0.042 0.000 0.910 135 R HN 0.363 nan 8.270 nan 0.000 0.455 136 L N 0.346 121.545 121.223 -0.039 0.000 2.482 136 L HA 0.435 4.775 4.340 -0.000 0.000 0.263 136 L C -1.626 175.234 176.870 -0.017 0.000 0.957 136 L CA -0.641 54.172 54.840 -0.043 0.000 0.836 136 L CB 2.094 44.117 42.059 -0.061 0.000 1.324 136 L HN 0.014 nan 8.230 nan 0.000 0.406 137 M N 5.333 124.923 119.600 -0.016 0.000 2.253 137 M HA 0.697 5.177 4.480 -0.000 0.000 0.314 137 M C -1.853 174.454 176.300 0.012 0.000 1.019 137 M CA -0.614 54.689 55.300 0.004 0.000 0.932 137 M CB 1.689 34.279 32.600 -0.016 0.000 1.606 137 M HN 0.426 nan 8.290 nan 0.000 0.430 138 V N 6.587 126.543 119.914 0.071 0.000 2.384 138 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 138 V C -0.359 175.776 176.094 0.069 0.000 1.020 138 V CA -0.633 61.736 62.300 0.116 0.000 0.850 138 V CB 1.519 33.492 31.823 0.250 0.000 0.987 138 V HN 0.805 nan 8.190 nan 0.000 0.436 139 L N 4.483 125.679 121.223 -0.044 0.000 2.265 139 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 139 L C -0.616 176.255 176.870 0.001 0.000 1.033 139 L CA -0.229 54.437 54.840 -0.290 0.000 0.814 139 L CB 1.397 43.062 42.059 -0.656 0.000 1.203 139 L HN 0.573 nan 8.230 nan 0.000 0.423 140 D N 2.888 123.362 120.400 0.123 0.000 2.440 140 D HA 0.300 4.940 4.640 -0.000 0.000 0.252 140 D C -0.278 176.148 176.300 0.209 0.000 1.180 140 D CA -0.170 53.938 54.000 0.180 0.000 0.894 140 D CB 1.394 42.320 40.800 0.210 0.000 1.111 140 D HN 0.562 nan 8.370 nan 0.000 0.544 141 T N 0.203 114.870 114.554 0.188 0.000 2.949 141 T HA 0.261 4.611 4.350 -0.000 0.000 0.287 141 T C 1.331 176.181 174.700 0.250 0.000 1.034 141 T CA -0.836 61.344 62.100 0.133 0.000 1.018 141 T CB 1.239 70.031 68.868 -0.128 0.000 1.135 141 T HN 0.123 nan 8.240 nan 0.000 0.532 142 L N 0.644 121.998 121.223 0.218 0.000 2.089 142 L HA -0.041 4.299 4.340 -0.000 0.000 0.213 142 L C 2.672 179.696 176.870 0.257 0.000 1.079 142 L CA 1.954 56.892 54.840 0.163 0.000 0.758 142 L CB -0.949 41.029 42.059 -0.136 0.000 0.891 142 L HN 0.843 nan 8.230 nan 0.000 0.433 143 R N -0.322 120.284 120.500 0.177 0.000 2.170 143 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 143 R C 1.863 178.099 176.300 -0.107 0.000 1.145 143 R CA 1.321 57.433 56.100 0.019 0.000 0.984 143 R CB -0.351 29.997 30.300 0.080 0.000 0.869 143 R HN 0.270 nan 8.270 nan 0.000 0.455 144 R N -0.801 119.705 120.500 0.010 0.000 2.317 144 R HA 0.086 4.426 4.340 -0.000 0.000 0.208 144 R C 0.152 176.214 176.300 -0.396 0.000 0.914 144 R CA 0.286 56.273 56.100 -0.189 0.000 1.060 144 R CB 0.151 30.320 30.300 -0.217 0.000 1.015 144 R HN 0.227 nan 8.270 nan 0.000 0.498 145 F N -0.217 119.653 119.950 -0.133 0.000 2.647 145 F HA 0.157 4.684 4.527 -0.000 0.000 0.300 145 F C 0.230 176.022 175.800 -0.013 0.000 1.106 145 F CA -0.486 57.440 58.000 -0.124 0.000 1.313 145 F CB 0.097 39.055 39.000 -0.070 0.000 1.007 145 F HN 0.093 nan 8.300 nan 0.000 0.536 146 H N -2.132 116.920 119.070 -0.030 0.000 3.024 146 H HA 0.424 4.980 4.556 -0.000 0.000 0.324 146 H C -0.570 174.732 175.328 -0.043 0.000 1.347 146 H CA -1.287 54.744 56.048 -0.030 0.000 1.182 146 H CB 0.431 30.185 29.762 -0.012 0.000 1.889 146 H HN 0.006 nan 8.280 nan 0.000 0.528 147 I N -1.011 119.549 120.570 -0.015 0.000 3.654 147 I HA 0.443 4.613 4.170 -0.000 0.000 0.337 147 I C -0.725 175.419 176.117 0.045 0.000 1.568 147 I CA -0.496 60.765 61.300 -0.065 0.000 1.115 147 I CB 0.261 38.238 38.000 -0.038 0.000 1.300 147 I HN 0.293 nan 8.210 nan 0.000 0.471 148 E N 1.781 122.129 120.200 0.248 0.000 2.254 148 E HA 0.298 4.648 4.350 -0.000 0.000 0.261 148 E C -0.579 176.130 176.600 0.182 0.000 1.051 148 E CA -0.674 55.856 56.400 0.217 0.000 0.902 148 E CB 1.278 31.106 29.700 0.212 0.000 1.168 148 E HN 0.155 nan 8.360 nan 0.000 0.423 149 E N 1.174 121.439 120.200 0.109 0.000 2.166 149 E HA -0.003 4.347 4.350 -0.000 0.000 0.279 149 E C 0.262 176.925 176.600 0.106 0.000 1.095 149 E CA 0.332 56.783 56.400 0.085 0.000 0.888 149 E CB 0.208 29.937 29.700 0.049 0.000 1.041 149 E HN 0.311 nan 8.360 nan 0.000 0.414 150 E N 3.160 123.444 120.200 0.139 0.000 2.401 150 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 150 E C 0.400 177.041 176.600 0.068 0.000 1.023 150 E CA 0.333 56.807 56.400 0.124 0.000 0.859 150 E CB 0.209 30.015 29.700 0.176 0.000 0.780 150 E HN 0.449 nan 8.360 nan 0.000 0.523 151 N N 0.283 119.019 118.700 0.060 0.000 2.299 151 N HA 0.043 4.783 4.740 -0.000 0.000 0.187 151 N C -0.100 175.426 175.510 0.026 0.000 1.099 151 N CA 0.125 53.202 53.050 0.044 0.000 0.867 151 N CB 0.751 39.265 38.487 0.044 0.000 0.974 151 N HN -0.037 nan 8.380 nan 0.000 0.477 152 A N 1.051 123.884 122.820 0.021 0.000 2.391 152 A HA 0.315 4.635 4.320 -0.000 0.000 0.316 152 A C 1.392 178.972 177.584 -0.006 0.000 1.381 152 A CA -0.460 51.583 52.037 0.010 0.000 0.998 152 A CB 0.184 19.192 19.000 0.013 0.000 1.147 152 A HN 0.215 nan 8.150 nan 0.000 0.545 153 S N 2.881 118.578 115.700 -0.006 0.000 2.374 153 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 153 S C 1.888 176.475 174.600 -0.022 0.000 1.037 153 S CA 1.719 59.911 58.200 -0.014 0.000 1.024 153 S CB -0.851 62.345 63.200 -0.006 0.000 0.861 153 S HN 1.023 nan 8.310 nan 0.000 0.456 154 G N 3.099 111.890 108.800 -0.016 0.000 2.511 154 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 154 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 154 G C -0.579 174.303 174.900 -0.030 0.000 1.218 154 G CA 1.089 46.178 45.100 -0.019 0.000 0.788 154 G HN 0.533 nan 8.290 nan 0.000 0.560 155 P HA -0.097 nan 4.420 nan 0.000 0.216 155 P C 2.157 179.404 177.300 -0.088 0.000 1.153 155 P CA 1.323 64.399 63.100 -0.040 0.000 0.858 155 P CB -0.022 31.669 31.700 -0.016 0.000 0.789 156 M N -1.284 118.256 119.600 -0.101 0.000 2.229 156 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 156 M C 2.058 178.284 176.300 -0.123 0.000 1.063 156 M CA 1.369 56.572 55.300 -0.162 0.000 1.114 156 M CB -1.979 30.538 32.600 -0.140 0.000 1.387 156 M HN -0.112 nan 8.290 nan 0.000 0.420 157 A N -0.063 122.714 122.820 -0.072 0.000 1.902 157 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 157 A C 2.146 179.699 177.584 -0.052 0.000 1.181 157 A CA 1.462 53.470 52.037 -0.047 0.000 0.623 157 A CB -0.599 18.385 19.000 -0.027 0.000 0.818 157 A HN 0.589 nan 8.150 nan 0.000 0.443 158 Q N -0.655 119.110 119.800 -0.059 0.000 2.079 158 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 158 Q C 2.121 178.081 176.000 -0.067 0.000 0.974 158 Q CA 1.469 57.237 55.803 -0.057 0.000 0.840 158 Q CB -0.319 28.387 28.738 -0.054 0.000 0.898 158 Q HN 0.464 nan 8.270 nan 0.000 0.430 159 V N 1.029 120.877 119.914 -0.110 0.000 2.295 159 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 159 V C 2.094 178.122 176.094 -0.111 0.000 1.049 159 V CA 1.606 63.823 62.300 -0.139 0.000 1.024 159 V CB -0.354 31.272 31.823 -0.328 0.000 0.648 159 V HN 0.357 nan 8.190 nan 0.000 0.447 160 I N 0.426 120.921 120.570 -0.126 0.000 2.315 160 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 160 I C 2.565 178.686 176.117 0.006 0.000 1.117 160 I CA 1.481 62.741 61.300 -0.066 0.000 1.404 160 I CB -0.905 37.066 38.000 -0.048 0.000 1.071 160 I HN 0.413 nan 8.210 nan 0.000 0.419 161 G N 0.882 109.681 108.800 -0.001 0.000 2.440 161 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 161 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 161 G C 1.811 176.746 174.900 0.059 0.000 1.154 161 G CA 0.395 45.509 45.100 0.023 0.000 0.767 161 G HN 0.296 nan 8.290 nan 0.000 0.552 162 R N -0.553 119.988 120.500 0.068 0.000 2.148 162 R HA 0.118 4.458 4.340 -0.000 0.000 0.227 162 R C 2.627 179.103 176.300 0.293 0.000 1.103 162 R CA 0.983 57.207 56.100 0.206 0.000 0.983 162 R CB -0.278 30.146 30.300 0.207 0.000 0.874 162 R HN 0.401 nan 8.270 nan 0.000 0.451 163 M N 0.087 119.779 119.600 0.153 0.000 2.236 163 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 163 M C 1.734 178.099 176.300 0.110 0.000 1.070 163 M CA 1.501 56.869 55.300 0.114 0.000 1.137 163 M CB -0.030 32.616 32.600 0.076 0.000 1.378 163 M HN 0.095 nan 8.290 nan 0.000 0.426 164 E N 0.631 120.896 120.200 0.108 0.000 2.150 164 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 164 E C 2.107 178.775 176.600 0.113 0.000 0.985 164 E CA 1.162 57.621 56.400 0.099 0.000 0.814 164 E CB -0.133 29.620 29.700 0.089 0.000 0.752 164 E HN 0.495 nan 8.360 nan 0.000 0.466 165 A N 1.394 124.302 122.820 0.146 0.000 1.877 165 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 165 A C 2.184 179.861 177.584 0.155 0.000 1.186 165 A CA 1.057 53.196 52.037 0.169 0.000 0.620 165 A CB -0.561 18.581 19.000 0.237 0.000 0.822 165 A HN 0.120 nan 8.150 nan 0.000 0.443 166 I N -0.301 120.357 120.570 0.146 0.000 2.226 166 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 166 I C 2.980 179.108 176.117 0.018 0.000 1.100 166 I CA 1.084 62.399 61.300 0.024 0.000 1.374 166 I CB -0.324 37.633 38.000 -0.071 0.000 1.057 166 I HN 0.371 nan 8.210 nan 0.000 0.413 167 A N 0.639 123.480 122.820 0.036 0.000 1.902 167 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 167 A C 2.519 180.123 177.584 0.033 0.000 1.181 167 A CA 1.815 53.866 52.037 0.022 0.000 0.623 167 A CB -0.824 18.192 19.000 0.026 0.000 0.818 167 A HN 0.428 nan 8.150 nan 0.000 0.443 168 A N -0.541 122.320 122.820 0.068 0.000 1.930 168 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 168 A C 1.847 179.477 177.584 0.076 0.000 1.175 168 A CA 2.019 54.120 52.037 0.105 0.000 0.627 168 A CB -0.546 18.572 19.000 0.196 0.000 0.815 168 A HN 0.462 nan 8.150 nan 0.000 0.443 169 D N -0.889 119.538 120.400 0.045 0.000 2.123 169 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 169 D C 2.232 178.534 176.300 0.003 0.000 0.976 169 D CA 2.034 56.043 54.000 0.014 0.000 0.831 169 D CB 0.025 40.838 40.800 0.021 0.000 0.974 169 D HN 0.534 nan 8.370 nan 0.000 0.469 170 T N -4.460 110.093 114.554 -0.002 0.000 3.037 170 T HA 0.321 4.671 4.350 -0.000 0.000 0.251 170 T C 1.732 176.423 174.700 -0.015 0.000 1.079 170 T CA 0.789 62.881 62.100 -0.014 0.000 1.067 170 T CB 0.653 69.505 68.868 -0.025 0.000 0.948 170 T HN 0.157 nan 8.240 nan 0.000 0.496 171 G N 0.497 109.291 108.800 -0.011 0.000 2.199 171 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 171 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 171 G C 0.396 175.276 174.900 -0.033 0.000 0.982 171 G CA -0.042 45.044 45.100 -0.022 0.000 0.632 171 G HN 0.916 nan 8.290 nan 0.000 0.529 172 C N 2.636 121.918 119.300 -0.029 0.000 2.499 172 C HA 0.708 5.168 4.460 -0.000 0.000 0.386 172 C C 1.279 176.246 174.990 -0.039 0.000 1.293 172 C CA 0.222 59.219 59.018 -0.035 0.000 1.884 172 C CB -0.240 27.481 27.740 -0.031 0.000 2.509 172 C HN 0.545 nan 8.230 nan 0.000 0.566 173 S N 5.366 121.032 115.700 -0.056 0.000 2.592 173 S HA 0.524 4.994 4.470 -0.000 0.000 0.271 173 S C -0.305 174.263 174.600 -0.054 0.000 1.326 173 S CA -0.183 57.976 58.200 -0.069 0.000 1.024 173 S CB 0.508 63.638 63.200 -0.117 0.000 0.921 173 S HN 0.694 nan 8.310 nan 0.000 0.527 174 I N 2.254 122.802 120.570 -0.037 0.000 2.436 174 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 174 I C -1.039 175.077 176.117 -0.002 0.000 1.010 174 I CA -0.690 60.605 61.300 -0.008 0.000 1.098 174 I CB 1.846 39.863 38.000 0.029 0.000 1.266 174 I HN 0.229 nan 8.210 nan 0.000 0.434 175 V N 6.892 126.800 119.914 -0.011 0.000 2.409 175 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 175 V C -0.532 175.586 176.094 0.040 0.000 1.020 175 V CA -0.607 61.673 62.300 -0.032 0.000 0.848 175 V CB 1.477 33.270 31.823 -0.050 0.000 0.990 175 V HN 0.518 nan 8.190 nan 0.000 0.430 176 F N 4.530 124.501 119.950 0.035 0.000 2.492 176 F HA 0.827 5.353 4.527 -0.000 0.000 0.327 176 F C -0.712 175.130 175.800 0.069 0.000 1.079 176 F CA -1.331 56.672 58.000 0.005 0.000 0.967 176 F CB 0.937 39.913 39.000 -0.040 0.000 1.169 176 F HN 0.194 nan 8.300 nan 0.000 0.472 177 L N 2.863 124.251 121.223 0.274 0.000 2.357 177 L HA 0.431 4.771 4.340 -0.000 0.000 0.273 177 L C -0.992 176.065 176.870 0.311 0.000 1.080 177 L CA -0.708 54.245 54.840 0.188 0.000 0.803 177 L CB 1.278 43.400 42.059 0.105 0.000 1.174 177 L HN 0.785 nan 8.230 nan 0.000 0.443 178 H N 1.494 120.629 119.070 0.108 0.000 2.782 178 H HA 0.335 4.891 4.556 -0.000 0.000 0.347 178 H C -0.789 174.581 175.328 0.071 0.000 1.038 178 H CA -0.634 55.489 56.048 0.125 0.000 1.255 178 H CB 0.920 30.859 29.762 0.296 0.000 1.623 178 H HN 0.379 nan 8.280 nan 0.000 0.525 179 H N 4.038 123.006 119.070 -0.170 0.000 3.004 179 H HA 0.350 4.906 4.556 -0.000 0.000 0.267 179 H C 0.742 175.806 175.328 -0.440 0.000 1.165 179 H CA 0.414 56.347 56.048 -0.192 0.000 1.450 179 H CB -0.193 29.524 29.762 -0.074 0.000 1.488 179 H HN 0.782 nan 8.280 nan 0.000 0.478 202 L N 3.724 124.951 121.223 0.007 0.000 2.873 202 L HA 0.564 4.904 4.340 -0.000 0.000 0.236 202 L C 0.862 177.784 176.870 0.087 0.000 1.375 202 L CA 1.117 55.968 54.840 0.019 0.000 1.239 202 L CB 0.162 42.159 42.059 -0.103 0.000 1.603 202 L HN 0.833 nan 8.230 nan 0.000 0.430 203 V N -2.125 117.828 119.914 0.065 0.000 3.339 203 V HA 0.058 4.178 4.120 -0.000 0.000 0.201 203 V C 1.050 177.165 176.094 0.034 0.000 1.489 203 V CA 0.436 62.768 62.300 0.054 0.000 1.228 203 V CB 0.529 32.380 31.823 0.046 0.000 1.152 203 V HN 0.336 nan 8.190 nan 0.000 0.519 204 D N 1.507 121.923 120.400 0.027 0.000 2.310 204 D HA -0.046 4.594 4.640 -0.000 0.000 0.212 204 D C 1.501 177.816 176.300 0.024 0.000 0.965 204 D CA 1.433 55.444 54.000 0.018 0.000 0.879 204 D CB -0.028 40.781 40.800 0.014 0.000 0.921 204 D HN 0.626 nan 8.370 nan 0.000 0.510 205 N N -0.261 118.461 118.700 0.037 0.000 2.463 205 N HA 0.010 4.750 4.740 -0.000 0.000 0.183 205 N C 0.343 175.894 175.510 0.068 0.000 1.064 205 N CA -0.096 52.980 53.050 0.045 0.000 0.879 205 N CB 1.132 39.642 38.487 0.038 0.000 1.148 205 N HN 0.085 nan 8.380 nan 0.000 0.451 206 I N 2.523 123.147 120.570 0.090 0.000 2.517 206 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 206 I C 1.643 177.816 176.117 0.094 0.000 1.106 206 I CA 0.344 61.715 61.300 0.119 0.000 1.402 206 I CB 0.664 38.753 38.000 0.148 0.000 1.399 206 I HN -0.017 nan 8.210 nan 0.000 0.535 207 R N 3.895 124.466 120.500 0.119 0.000 2.193 207 R HA -0.072 4.268 4.340 -0.000 0.000 0.213 207 R C -0.139 176.261 176.300 0.167 0.000 1.055 207 R CA 0.778 56.945 56.100 0.112 0.000 0.995 207 R CB 0.225 30.598 30.300 0.122 0.000 0.893 207 R HN 0.616 nan 8.270 nan 0.000 0.459 208 W N 1.298 122.589 121.300 -0.015 0.000 2.532 208 W HA 0.301 4.960 4.660 -0.000 0.000 0.321 208 W C -1.118 175.356 176.519 -0.076 0.000 1.037 208 W CA -0.525 56.798 57.345 -0.037 0.000 1.220 208 W CB 1.268 30.716 29.460 -0.020 0.000 1.361 208 W HN -0.214 nan 8.180 nan 0.000 0.468 209 Q N 4.199 123.640 119.800 -0.599 0.000 2.305 209 Q HA 0.460 4.800 4.340 -0.000 0.000 0.271 209 Q C -0.877 174.539 176.000 -0.973 0.000 1.046 209 Q CA -0.437 55.014 55.803 -0.587 0.000 0.798 209 Q CB 2.286 30.870 28.738 -0.257 0.000 1.286 209 Q HN 0.572 nan 8.270 nan 0.000 0.435 210 S N 1.910 117.073 115.700 -0.896 0.000 2.638 210 S HA 0.835 5.305 4.470 -0.000 0.000 0.302 210 S C -1.064 173.338 174.600 -0.330 0.000 1.096 210 S CA -0.524 57.181 58.200 -0.825 0.000 0.953 210 S CB 1.287 63.959 63.200 -0.881 0.000 1.107 210 S HN 0.587 nan 8.310 nan 0.000 0.503 211 Y N -0.872 119.234 120.300 -0.325 0.000 2.615 211 Y HA 0.879 5.429 4.550 -0.000 0.000 0.341 211 Y C -1.678 174.214 175.900 -0.014 0.000 1.089 211 Y CA -1.655 56.364 58.100 -0.136 0.000 1.049 211 Y CB 1.129 39.496 38.460 -0.155 0.000 1.296 211 Y HN 0.729 nan 8.280 nan 0.000 0.470 212 L N 2.863 124.204 121.223 0.197 0.000 2.476 212 L HA 0.731 5.071 4.340 -0.000 0.000 0.269 212 L C -1.234 175.745 176.870 0.182 0.000 0.965 212 L CA -0.307 54.639 54.840 0.175 0.000 0.845 212 L CB 2.095 44.256 42.059 0.171 0.000 1.259 212 L HN 0.917 nan 8.230 nan 0.000 0.403 213 S N 1.955 117.748 115.700 0.156 0.000 2.557 213 S HA 0.717 5.187 4.470 -0.000 0.000 0.291 213 S C -0.294 174.372 174.600 0.109 0.000 1.116 213 S CA -0.705 57.565 58.200 0.116 0.000 0.992 213 S CB 1.513 64.769 63.200 0.093 0.000 1.028 213 S HN 0.542 nan 8.310 nan 0.000 0.484 214 S N 3.097 118.871 115.700 0.123 0.000 2.566 214 S HA 0.126 4.596 4.470 -0.000 0.000 0.280 214 S C 0.429 175.166 174.600 0.227 0.000 1.343 214 S CA -0.402 57.898 58.200 0.165 0.000 1.036 214 S CB 0.046 63.319 63.200 0.122 0.000 0.866 214 S HN 0.862 nan 8.310 nan 0.000 0.526 215 M N 2.679 122.486 119.600 0.345 0.000 2.248 215 M HA 0.039 4.519 4.480 -0.000 0.000 0.345 215 M C 0.074 176.529 176.300 0.259 0.000 1.243 215 M CA 0.152 55.710 55.300 0.430 0.000 1.090 215 M CB 0.135 32.996 32.600 0.436 0.000 1.683 215 M HN 0.608 nan 8.290 nan 0.000 0.450 216 T N 3.060 117.767 114.554 0.254 0.000 2.856 216 T HA 0.046 4.396 4.350 -0.000 0.000 0.306 216 T C 1.303 176.075 174.700 0.121 0.000 1.062 216 T CA 0.026 62.224 62.100 0.164 0.000 1.083 216 T CB 0.685 69.650 68.868 0.160 0.000 0.984 216 T HN 0.863 nan 8.240 nan 0.000 0.542 217 S N 0.109 115.861 115.700 0.087 0.000 2.515 217 S HA 0.051 4.521 4.470 -0.000 0.000 0.231 217 S C 1.773 176.405 174.600 0.053 0.000 0.987 217 S CA 0.265 58.504 58.200 0.064 0.000 0.936 217 S CB -0.222 63.008 63.200 0.050 0.000 0.766 217 S HN 0.772 nan 8.310 nan 0.000 0.528 218 A N 1.517 124.377 122.820 0.066 0.000 2.055 218 A HA 0.324 4.644 4.320 -0.000 0.000 0.205 218 A C 1.908 179.534 177.584 0.070 0.000 1.235 218 A CA 0.068 52.137 52.037 0.053 0.000 0.822 218 A CB -0.118 18.912 19.000 0.050 0.000 0.903 218 A HN 0.420 nan 8.150 nan 0.000 0.473 219 E N 0.445 120.723 120.200 0.130 0.000 2.331 219 E HA -0.132 4.218 4.350 -0.000 0.000 0.199 219 E C 2.057 178.739 176.600 0.137 0.000 1.008 219 E CA 0.734 57.261 56.400 0.210 0.000 0.843 219 E CB -0.155 29.757 29.700 0.353 0.000 0.761 219 E HN 0.628 nan 8.360 nan 0.000 0.507 220 A N 1.563 124.401 122.820 0.030 0.000 1.872 220 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 220 A C 1.588 179.140 177.584 -0.053 0.000 1.187 220 A CA 0.865 52.867 52.037 -0.059 0.000 0.614 220 A CB -0.233 18.733 19.000 -0.056 0.000 0.826 220 A HN 0.129 nan 8.150 nan 0.000 0.442 221 E N 0.047 120.224 120.200 -0.039 0.000 2.357 221 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 221 E C 0.160 176.690 176.600 -0.116 0.000 1.177 221 E CA 0.341 56.702 56.400 -0.065 0.000 0.998 221 E CB -0.149 29.525 29.700 -0.042 0.000 1.106 221 E HN 0.743 nan 8.360 nan 0.000 0.470 222 E N -1.839 118.259 120.200 -0.169 0.000 2.633 222 E HA 0.053 4.403 4.350 -0.000 0.000 0.222 222 E C 0.442 176.576 176.600 -0.777 0.000 0.899 222 E CA -0.053 56.101 56.400 -0.409 0.000 1.292 222 E CB 0.439 29.919 29.700 -0.366 0.000 1.257 222 E HN 0.283 nan 8.360 nan 0.000 0.626 223 W N 0.425 121.592 121.300 -0.221 0.000 2.701 223 W HA 0.428 5.088 4.660 -0.000 0.000 0.254 223 W C 0.973 177.342 176.519 -0.250 0.000 1.017 223 W CA 0.341 57.523 57.345 -0.271 0.000 1.326 223 W CB 1.487 30.663 29.460 -0.473 0.000 0.881 223 W HN 0.184 nan 8.180 nan 0.000 0.647 224 G N 0.313 109.071 108.800 -0.071 0.000 2.240 224 G HA2 0.233 4.193 3.960 -0.000 0.000 0.199 224 G HA3 0.233 4.193 3.960 -0.000 0.000 0.199 224 G C -0.163 174.656 174.900 -0.135 0.000 1.342 224 G CA 0.237 45.279 45.100 -0.095 0.000 1.145 224 G HN 0.984 nan 8.290 nan 0.000 0.477 225 V N -1.138 118.693 119.914 -0.138 0.000 4.015 225 V HA 0.038 4.158 4.120 -0.000 0.000 0.524 225 V C 0.341 176.383 176.094 -0.086 0.000 0.686 225 V CA 0.775 62.995 62.300 -0.133 0.000 2.034 225 V CB -1.608 30.051 31.823 -0.274 0.000 2.413 225 V HN 1.979 nan 8.190 nan 0.000 0.515 226 D N 2.566 122.945 120.400 -0.035 0.000 2.363 226 D HA 0.187 4.827 4.640 -0.000 0.000 0.240 226 D C 0.256 176.565 176.300 0.016 0.000 1.236 226 D CA 0.291 54.284 54.000 -0.011 0.000 0.927 226 D CB 0.648 41.450 40.800 0.002 0.000 1.150 226 D HN 0.779 nan 8.370 nan 0.000 0.458 227 D N -0.951 119.466 120.400 0.027 0.000 2.169 227 D HA 0.004 4.644 4.640 -0.000 0.000 0.253 227 D C 0.592 176.945 176.300 0.088 0.000 1.257 227 D CA 1.241 55.274 54.000 0.054 0.000 0.976 227 D CB -0.058 40.769 40.800 0.044 0.000 1.195 227 D HN 0.741 nan 8.370 nan 0.000 0.534 228 D N -1.871 118.587 120.400 0.097 0.000 3.044 228 D HA -0.270 4.370 4.640 -0.000 0.000 0.223 228 D C 0.364 176.791 176.300 0.213 0.000 1.191 228 D CA 1.093 55.166 54.000 0.123 0.000 0.881 228 D CB -0.730 40.128 40.800 0.097 0.000 1.115 228 D HN 0.220 nan 8.370 nan 0.000 0.408 229 Q N -1.568 118.379 119.800 0.245 0.000 2.043 229 Q HA 0.134 4.474 4.340 -0.000 0.000 0.219 229 Q C 1.701 177.985 176.000 0.474 0.000 0.762 229 Q CA 0.555 56.612 55.803 0.425 0.000 0.943 229 Q CB 0.162 29.059 28.738 0.265 0.000 1.194 229 Q HN 0.745 nan 8.270 nan 0.000 0.447 230 R N 1.270 121.934 120.500 0.274 0.000 2.357 230 R HA -0.039 4.301 4.340 -0.000 0.000 0.202 230 R C 1.565 178.053 176.300 0.313 0.000 1.047 230 R CA 1.013 57.265 56.100 0.252 0.000 1.034 230 R CB -0.130 30.253 30.300 0.140 0.000 0.875 230 R HN -0.013 nan 8.270 nan 0.000 0.473 231 R N 0.039 120.674 120.500 0.226 0.000 2.161 231 R HA 0.058 4.398 4.340 -0.000 0.000 0.213 231 R C 0.784 177.062 176.300 -0.037 0.000 1.055 231 R CA 0.935 57.047 56.100 0.020 0.000 0.996 231 R CB -0.858 29.326 30.300 -0.193 0.000 0.901 231 R HN 0.195 nan 8.270 nan 0.000 0.456 232 F N 0.246 120.319 119.950 0.205 0.000 2.754 232 F HA 0.323 4.850 4.527 -0.000 0.000 0.303 232 F C -0.308 175.339 175.800 -0.255 0.000 1.196 232 F CA -0.215 57.782 58.000 -0.005 0.000 1.416 232 F CB -0.147 38.804 39.000 -0.081 0.000 1.092 232 F HN -0.148 nan 8.300 nan 0.000 0.541 233 F N -0.849 119.268 119.950 0.278 0.000 2.588 233 F HA 0.670 5.197 4.527 -0.000 0.000 0.314 233 F C -0.310 175.706 175.800 0.360 0.000 1.069 233 F CA -1.899 56.300 58.000 0.333 0.000 0.931 233 F CB 2.019 41.187 39.000 0.280 0.000 1.260 233 F HN -0.345 nan 8.300 nan 0.000 0.465 234 V N -0.188 120.063 119.914 0.563 0.000 3.077 234 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 234 V C -1.357 174.733 176.094 -0.006 0.000 1.276 234 V CA -1.345 61.130 62.300 0.292 0.000 0.993 234 V CB 2.030 33.975 31.823 0.204 0.000 1.076 234 V HN 0.850 nan 8.190 nan 0.000 0.434 235 R N 2.438 122.682 120.500 -0.426 0.000 2.589 235 R HA 0.705 5.045 4.340 -0.000 0.000 0.293 235 R C -0.534 175.559 176.300 -0.346 0.000 0.963 235 R CA -0.563 55.037 56.100 -0.834 0.000 0.905 235 R CB 1.942 31.357 30.300 -1.475 0.000 1.144 235 R HN 0.687 nan 8.270 nan 0.000 0.459 236 F N 1.896 121.493 119.950 -0.588 0.000 2.335 236 F HA 0.444 4.971 4.527 -0.000 0.000 0.249 236 F C 0.749 176.085 175.800 -0.774 0.000 1.162 236 F CA 1.130 58.842 58.000 -0.479 0.000 1.015 236 F CB -0.443 38.408 39.000 -0.248 0.000 1.054 236 F HN 0.920 nan 8.300 nan 0.000 0.587 237 G N 0.956 109.153 108.800 -1.005 0.000 2.797 237 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 237 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 237 G C -1.349 172.806 174.900 -1.242 0.000 1.452 237 G CA -0.347 44.209 45.100 -0.907 0.000 0.986 237 G HN 0.655 nan 8.290 nan 0.000 0.595 238 V N 2.490 122.062 119.914 -0.570 0.000 2.348 238 V HA 0.421 4.541 4.120 -0.000 0.000 0.270 238 V C 1.509 177.452 176.094 -0.251 0.000 1.037 238 V CA 0.851 62.806 62.300 -0.575 0.000 0.872 238 V CB 1.081 32.644 31.823 -0.433 0.000 1.002 238 V HN 1.252 nan 8.190 nan 0.000 0.464 239 S N 4.343 119.940 115.700 -0.172 0.000 2.428 239 S HA 0.048 4.518 4.470 -0.000 0.000 0.230 239 S C 0.695 175.206 174.600 -0.149 0.000 1.014 239 S CA 0.896 59.082 58.200 -0.023 0.000 0.957 239 S CB -0.054 63.174 63.200 0.047 0.000 0.784 239 S HN 0.739 nan 8.310 nan 0.000 0.499 240 K N -0.503 119.736 120.400 -0.269 0.000 2.561 240 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 240 K C -1.584 174.883 176.600 -0.222 0.000 0.942 240 K CA -0.264 55.904 56.287 -0.199 0.000 0.818 240 K CB 1.514 33.929 32.500 -0.142 0.000 1.306 240 K HN 0.163 nan 8.250 nan 0.000 0.435 241 A N 2.313 125.070 122.820 -0.105 0.000 2.557 241 A HA 0.521 4.841 4.320 -0.000 0.000 0.292 241 A C -1.076 176.448 177.584 -0.100 0.000 1.139 241 A CA -0.638 51.395 52.037 -0.006 0.000 0.665 241 A CB 1.355 20.398 19.000 0.071 0.000 1.285 241 A HN 0.773 nan 8.150 nan 0.000 0.433 242 N N -1.902 116.659 118.700 -0.230 0.000 2.324 242 N HA 0.202 4.942 4.740 -0.000 0.000 0.235 242 N C -1.035 174.098 175.510 -0.627 0.000 1.162 242 N CA 0.854 53.556 53.050 -0.579 0.000 0.834 242 N CB 0.598 38.456 38.487 -1.048 0.000 1.354 242 N HN 0.624 nan 8.380 nan 0.000 0.471 243 Y N 0.150 120.550 120.300 0.168 0.000 2.570 243 Y HA 0.664 5.214 4.550 -0.000 0.000 0.345 243 Y C 0.958 176.967 175.900 0.181 0.000 1.014 243 Y CA -0.910 57.311 58.100 0.202 0.000 1.063 243 Y CB 1.546 40.172 38.460 0.276 0.000 1.272 243 Y HN 0.104 nan 8.280 nan 0.000 0.477 244 G N 0.068 109.044 108.800 0.294 0.000 2.663 244 G HA2 0.321 4.281 3.960 -0.000 0.000 0.686 244 G HA3 0.321 4.281 3.960 -0.000 0.000 0.686 244 G C -1.025 173.900 174.900 0.042 0.000 1.288 244 G CA -0.748 44.382 45.100 0.050 0.000 0.836 244 G HN 1.153 nan 8.290 nan 0.000 0.584 245 A N 1.042 123.866 122.820 0.007 0.000 2.401 245 A HA 0.760 5.080 4.320 -0.000 0.000 0.259 245 A C -1.327 176.283 177.584 0.043 0.000 1.103 245 A CA -0.577 51.477 52.037 0.028 0.000 0.789 245 A CB -0.187 18.827 19.000 0.023 0.000 1.035 245 A HN 0.771 nan 8.150 nan 0.000 0.491 246 P HA -0.009 nan 4.420 nan 0.000 0.261 246 P C -0.751 176.596 177.300 0.079 0.000 1.165 246 P CA 0.637 63.767 63.100 0.049 0.000 0.759 246 P CB 0.039 31.749 31.700 0.018 0.000 0.772 247 F N 3.254 123.174 119.950 -0.051 0.000 2.404 247 F HA 0.527 5.054 4.527 -0.000 0.000 0.345 247 F C 0.123 175.880 175.800 -0.071 0.000 1.110 247 F CA -0.851 57.116 58.000 -0.054 0.000 1.130 247 F CB 0.713 39.674 39.000 -0.064 0.000 1.129 247 F HN 0.338 nan 8.300 nan 0.000 0.500 248 A N 5.050 127.461 122.820 -0.681 0.000 2.409 248 A HA 0.261 4.580 4.320 -0.000 0.000 0.262 248 A C -0.175 177.075 177.584 -0.556 0.000 1.113 248 A CA -0.667 51.081 52.037 -0.482 0.000 0.790 248 A CB -0.131 18.649 19.000 -0.366 0.000 1.046 248 A HN 0.763 nan 8.150 nan 0.000 0.496 249 D N 0.927 121.162 120.400 -0.275 0.000 2.406 249 D HA 0.251 4.890 4.640 -0.000 0.000 0.234 249 D C 0.507 176.604 176.300 -0.339 0.000 1.196 249 D CA 1.062 54.902 54.000 -0.267 0.000 0.881 249 D CB 0.354 41.037 40.800 -0.196 0.000 1.205 249 D HN 0.552 nan 8.370 nan 0.000 0.453 250 R N 0.139 120.391 120.500 -0.414 0.000 2.836 250 R HA 0.512 4.852 4.340 -0.000 0.000 0.269 250 R C -1.075 174.774 176.300 -0.752 0.000 1.010 250 R CA -0.876 54.934 56.100 -0.483 0.000 0.930 250 R CB 1.578 31.616 30.300 -0.436 0.000 1.218 250 R HN 0.389 nan 8.270 nan 0.000 0.473 251 W N 1.199 122.171 121.300 -0.547 0.000 2.666 251 W HA 0.543 5.203 4.660 -0.000 0.000 0.334 251 W C -0.786 175.512 176.519 -0.369 0.000 1.051 251 W CA -0.232 56.870 57.345 -0.405 0.000 1.224 251 W CB 1.281 30.565 29.460 -0.293 0.000 1.405 251 W HN 0.319 nan 8.180 nan 0.000 0.513 252 F N 1.896 122.034 119.950 0.314 0.000 2.576 252 F HA 0.508 5.035 4.527 -0.000 0.000 0.313 252 F C 0.152 176.006 175.800 0.089 0.000 1.078 252 F CA -1.516 56.571 58.000 0.145 0.000 0.921 252 F CB 2.055 41.067 39.000 0.021 0.000 1.232 252 F HN 0.067 nan 8.300 nan 0.000 0.459 253 R N 1.977 122.582 120.500 0.174 0.000 2.407 253 R HA 0.401 4.741 4.340 -0.000 0.000 0.303 253 R C -0.373 175.972 176.300 0.074 0.000 0.981 253 R CA -0.835 55.154 56.100 -0.186 0.000 0.905 253 R CB 1.279 31.450 30.300 -0.215 0.000 1.099 253 R HN 0.732 nan 8.270 nan 0.000 0.459 254 R N 4.458 124.977 120.500 0.030 0.000 2.893 254 R HA 0.093 4.433 4.340 -0.000 0.000 0.243 254 R C -0.248 176.196 176.300 0.240 0.000 1.481 254 R CA -0.117 56.056 56.100 0.122 0.000 1.250 254 R CB -0.250 30.096 30.300 0.076 0.000 1.213 254 R HN 0.713 nan 8.270 nan 0.000 0.609 255 H N 0.761 119.840 119.070 0.014 0.000 2.355 255 H HA -0.027 4.529 4.556 -0.000 0.000 0.367 255 H C -0.075 175.306 175.328 0.088 0.000 1.912 255 H CA -0.485 55.597 56.048 0.056 0.000 1.424 255 H CB 0.576 30.381 29.762 0.072 0.000 1.612 255 H HN 0.491 nan 8.280 nan 0.000 0.557 256 D N -0.360 120.190 120.400 0.249 0.000 2.443 256 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 256 D C 1.295 177.693 176.300 0.164 0.000 1.136 256 D CA 1.311 55.419 54.000 0.181 0.000 0.879 256 D CB 1.078 41.970 40.800 0.155 0.000 1.195 256 D HN 0.847 nan 8.370 nan 0.000 0.443 257 G N 1.454 110.335 108.800 0.136 0.000 2.267 257 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 257 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 257 G C 1.027 175.975 174.900 0.079 0.000 0.998 257 G CA 0.466 45.639 45.100 0.121 0.000 0.620 257 G HN 1.265 nan 8.290 nan 0.000 0.529 258 G N -1.972 106.868 108.800 0.066 0.000 2.253 258 G HA2 0.030 3.990 3.960 -0.000 0.000 0.209 258 G HA3 0.030 3.990 3.960 -0.000 0.000 0.209 258 G C 0.669 175.549 174.900 -0.034 0.000 0.997 258 G CA 0.513 45.628 45.100 0.025 0.000 0.640 258 G HN 1.681 nan 8.290 nan 0.000 0.496 259 V N 2.298 122.169 119.914 -0.073 0.000 2.790 259 V HA 0.192 4.312 4.120 -0.000 0.000 0.304 259 V C 1.020 176.943 176.094 -0.285 0.000 1.142 259 V CA 0.971 63.127 62.300 -0.239 0.000 1.282 259 V CB 0.679 32.255 31.823 -0.412 0.000 0.877 259 V HN 0.412 nan 8.190 nan 0.000 0.504 260 L N 6.253 127.243 121.223 -0.388 0.000 2.307 260 L HA 0.645 4.985 4.340 -0.000 0.000 0.284 260 L C 0.082 176.609 176.870 -0.572 0.000 1.023 260 L CA -0.613 53.974 54.840 -0.422 0.000 0.810 260 L CB 1.345 43.109 42.059 -0.492 0.000 1.231 260 L HN 0.509 nan 8.230 nan 0.000 0.423 261 K N 2.533 122.652 120.400 -0.467 0.000 2.395 261 K HA 0.454 4.774 4.320 -0.000 0.000 0.247 261 K C -2.084 174.541 176.600 0.042 0.000 0.973 261 K CA -1.912 54.171 56.287 -0.340 0.000 0.828 261 K CB 2.392 34.609 32.500 -0.472 0.000 1.272 261 K HN 0.050 nan 8.250 nan 0.000 0.439 262 P HA -0.275 nan 4.420 nan 0.000 0.206 262 P C -0.208 177.298 177.300 0.342 0.000 1.142 262 P CA 2.109 65.453 63.100 0.406 0.000 0.946 262 P CB 0.084 31.928 31.700 0.241 0.000 0.777 263 A N 0.000 122.968 122.820 0.247 0.000 2.254 263 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 263 A CA 0.000 52.188 52.037 0.252 0.000 0.836 263 A CB 0.000 19.174 19.000 0.289 0.000 0.831 263 A HN 0.000 nan 8.150 nan 0.000 0.486