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 1re9_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPLPPHVPE HLVFDFDMYN PSNLSAGVQE AWAVLQESNV PDLVWTRCNG DATA SEQUENCE GHWIATRGQL IREAYEDYRH FSSECPFIPR EAGEAYDFIP TSMDPPEQRQ DATA SEQUENCE FRALANQVVG MPVVDKLENR IQELACSLIE SLRPQGQCNF TEDYAEPFPI DATA SEQUENCE RIFMLLAGLP EEDIPHLKYL TDQMTRPDGS MTFAEAKEAL YDYLIPIIEQ DATA SEQUENCE RRQKPGTDAI SIVANGQVNG RPITSDEAKR MCGLLLVGGL DTVVNFLSFS DATA SEQUENCE MEFLAKSPEH RQELIERPER IPAACEELLR RFSLVADGRI LTSDYEFHGV DATA SEQUENCE QLKKGDQILL PQMLSGLDER ENACPMHVDF SRQKVSHTTF GHGSHLCLGQ DATA SEQUENCE HLARREIIVT LKEWLTRIPD FSIAPGAQIQ HKSGIVSGVQ ALPLVWDPAT DATA SEQUENCE TKAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.869 176.870 -0.001 0.000 1.165 1 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 1 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 2 A N 3.656 126.486 122.820 0.017 0.000 2.386 2 A HA 0.738 5.059 4.320 0.001 0.000 0.248 2 A C -2.307 175.314 177.584 0.062 0.000 1.082 2 A CA -0.959 51.105 52.037 0.046 0.000 0.789 2 A CB -0.283 18.761 19.000 0.073 0.000 1.025 2 A HN 0.405 nan 8.150 nan 0.000 0.490 3 P HA 0.162 nan 4.420 nan 0.000 0.264 3 P C -0.439 176.873 177.300 0.019 0.000 1.193 3 P CA -0.189 62.925 63.100 0.024 0.000 0.763 3 P CB 0.250 31.958 31.700 0.014 0.000 0.810 4 L N 7.155 128.361 121.223 -0.029 0.000 2.477 4 L HA 0.250 4.591 4.340 0.001 0.000 0.272 4 L C -2.128 174.606 176.870 -0.227 0.000 1.157 4 L CA -1.489 53.266 54.840 -0.142 0.000 0.889 4 L CB -0.570 41.393 42.059 -0.161 0.000 1.158 4 L HN 0.299 nan 8.230 nan 0.000 0.473 5 P HA 0.164 nan 4.420 nan 0.000 0.268 5 P C -2.159 174.948 177.300 -0.322 0.000 1.204 5 P CA -1.029 61.888 63.100 -0.306 0.000 0.768 5 P CB 0.081 31.549 31.700 -0.387 0.000 0.842 6 P HA -0.175 nan 4.420 nan 0.000 0.225 6 P C 1.063 178.321 177.300 -0.070 0.000 1.148 6 P CA 1.430 64.477 63.100 -0.088 0.000 0.779 6 P CB -0.422 31.269 31.700 -0.016 0.000 0.780 7 H N -1.539 117.457 119.070 -0.123 0.000 2.551 7 H HA 0.118 4.674 4.556 0.001 0.000 0.266 7 H C -0.001 175.283 175.328 -0.074 0.000 0.977 7 H CA 0.106 56.114 56.048 -0.067 0.000 1.163 7 H CB -0.699 29.052 29.762 -0.019 0.000 1.381 7 H HN -0.103 nan 8.280 nan 0.000 0.581 8 V N 4.722 124.242 119.914 -0.655 0.000 2.406 8 V HA 0.212 4.332 4.120 0.001 0.000 0.272 8 V C -2.040 173.865 176.094 -0.315 0.000 1.043 8 V CA -1.624 60.312 62.300 -0.605 0.000 0.915 8 V CB 1.308 32.388 31.823 -1.238 0.000 0.988 8 V HN 0.222 nan 8.190 nan 0.000 0.466 9 P HA 0.231 nan 4.420 nan 0.000 0.275 9 P C 0.751 177.957 177.300 -0.157 0.000 1.227 9 P CA -0.343 62.694 63.100 -0.105 0.000 0.781 9 P CB 0.860 32.525 31.700 -0.059 0.000 0.906 10 E N 1.549 121.718 120.200 -0.052 0.000 2.160 10 E HA -0.220 4.130 4.350 0.001 0.000 0.195 10 E C 1.597 178.197 176.600 -0.000 0.000 0.991 10 E CA 1.316 57.699 56.400 -0.029 0.000 0.810 10 E CB -0.445 29.265 29.700 0.016 0.000 0.742 10 E HN 0.692 nan 8.360 nan 0.000 0.466 11 H N -0.031 119.061 119.070 0.035 0.000 2.546 11 H HA 0.034 4.590 4.556 0.000 0.000 0.277 11 H C 1.665 177.044 175.328 0.086 0.000 1.004 11 H CA 0.484 56.563 56.048 0.053 0.000 1.231 11 H CB -0.252 29.534 29.762 0.040 0.000 1.382 11 H HN 0.147 nan 8.280 nan 0.000 0.580 12 L N 1.386 122.383 121.223 -0.377 0.000 2.607 12 L HA 0.174 4.515 4.340 0.001 0.000 0.228 12 L C 0.244 177.164 176.870 0.082 0.000 1.123 12 L CA -0.271 54.505 54.840 -0.108 0.000 0.890 12 L CB 0.643 42.675 42.059 -0.044 0.000 1.103 12 L HN -0.022 nan 8.230 nan 0.000 0.468 13 V N 0.765 120.719 119.914 0.067 0.000 2.508 13 V HA 0.064 4.185 4.120 0.001 0.000 0.281 13 V C -0.578 175.636 176.094 0.199 0.000 1.041 13 V CA 0.193 62.573 62.300 0.134 0.000 1.016 13 V CB 0.895 32.763 31.823 0.074 0.000 0.984 13 V HN 0.090 nan 8.190 nan 0.000 0.478 14 F N 3.814 123.776 119.950 0.019 0.000 2.831 14 F HA 0.406 4.933 4.527 0.001 0.000 0.346 14 F C -0.052 175.734 175.800 -0.022 0.000 1.224 14 F CA -0.698 57.303 58.000 0.003 0.000 1.048 14 F CB 1.446 40.449 39.000 0.005 0.000 1.339 14 F HN 0.488 nan 8.300 nan 0.000 0.514 15 D N 6.726 126.915 120.400 -0.351 0.000 2.713 15 D HA 0.032 4.672 4.640 0.001 0.000 0.229 15 D C -0.320 175.808 176.300 -0.286 0.000 1.136 15 D CA 0.285 54.128 54.000 -0.260 0.000 1.010 15 D CB -0.085 40.584 40.800 -0.219 0.000 1.084 15 D HN 0.291 nan 8.370 nan 0.000 0.495 16 F N 1.784 121.545 119.950 -0.314 0.000 2.456 16 F HA 0.110 4.637 4.527 0.001 0.000 0.358 16 F C 0.480 176.131 175.800 -0.248 0.000 1.095 16 F CA -0.527 57.325 58.000 -0.247 0.000 1.216 16 F CB 0.821 39.780 39.000 -0.069 0.000 1.125 16 F HN -0.104 nan 8.300 nan 0.000 0.549 17 D N 7.253 127.150 120.400 -0.839 0.000 2.427 17 D HA 0.113 4.754 4.640 0.001 0.000 0.226 17 D C 0.860 176.661 176.300 -0.831 0.000 1.076 17 D CA -0.476 53.178 54.000 -0.577 0.000 0.849 17 D CB 0.941 41.526 40.800 -0.358 0.000 1.052 17 D HN 0.727 nan 8.370 nan 0.000 0.515 18 M N 1.915 121.212 119.600 -0.505 0.000 2.460 18 M HA -0.070 4.410 4.480 0.001 0.000 0.263 18 M C 0.226 176.319 176.300 -0.345 0.000 1.071 18 M CA 1.154 56.183 55.300 -0.452 0.000 1.096 18 M CB -0.160 32.350 32.600 -0.149 0.000 1.408 18 M HN 0.189 nan 8.290 nan 0.000 0.463 19 Y N 0.720 120.959 120.300 -0.103 0.000 2.478 19 Y HA 0.291 4.841 4.550 0.001 0.000 0.261 19 Y C 0.521 176.378 175.900 -0.071 0.000 1.127 19 Y CA 0.099 58.175 58.100 -0.041 0.000 1.288 19 Y CB 0.435 38.867 38.460 -0.047 0.000 1.084 19 Y HN 0.458 nan 8.280 nan 0.000 0.530 20 N N 0.708 119.370 118.700 -0.063 0.000 2.805 20 N HA 0.107 4.848 4.740 0.001 0.000 0.216 20 N C -3.196 172.176 175.510 -0.230 0.000 1.447 20 N CA -1.026 51.971 53.050 -0.088 0.000 0.785 20 N CB 0.906 39.364 38.487 -0.050 0.000 1.458 20 N HN -0.173 nan 8.380 nan 0.000 0.547 21 P HA 0.120 nan 4.420 nan 0.000 0.274 21 P C -0.163 177.008 177.300 -0.216 0.000 1.231 21 P CA 0.027 62.828 63.100 -0.497 0.000 0.790 21 P CB 1.063 32.418 31.700 -0.576 0.000 0.951 22 S N 1.217 116.801 115.700 -0.193 0.000 2.593 22 S HA 0.121 4.592 4.470 0.001 0.000 0.269 22 S C 0.759 175.351 174.600 -0.012 0.000 1.334 22 S CA -0.570 57.580 58.200 -0.083 0.000 1.015 22 S CB -0.283 62.873 63.200 -0.074 0.000 0.912 22 S HN 0.631 nan 8.310 nan 0.000 0.541 23 N N -0.848 117.856 118.700 0.007 0.000 2.782 23 N HA -0.154 4.587 4.740 0.001 0.000 0.251 23 N C 0.427 175.975 175.510 0.063 0.000 1.101 23 N CA 0.690 53.764 53.050 0.039 0.000 0.764 23 N CB -1.010 37.513 38.487 0.061 0.000 1.122 23 N HN 0.624 nan 8.380 nan 0.000 0.561 24 L N 1.750 123.006 121.223 0.055 0.000 2.127 24 L HA -0.129 4.212 4.340 0.001 0.000 0.211 24 L C 2.392 179.309 176.870 0.080 0.000 1.089 24 L CA 2.609 57.508 54.840 0.097 0.000 0.757 24 L CB -0.651 41.459 42.059 0.086 0.000 0.899 24 L HN 0.402 nan 8.230 nan 0.000 0.434 25 S N -0.983 114.742 115.700 0.041 0.000 2.442 25 S HA -0.093 4.378 4.470 0.001 0.000 0.236 25 S C 1.935 176.541 174.600 0.010 0.000 1.007 25 S CA 0.718 58.926 58.200 0.013 0.000 0.965 25 S CB -0.828 62.378 63.200 0.009 0.000 0.773 25 S HN 0.502 nan 8.310 nan 0.000 0.504 26 A N 1.114 123.960 122.820 0.043 0.000 2.208 26 A HA 0.565 4.885 4.320 0.001 0.000 0.209 26 A C 1.231 178.859 177.584 0.073 0.000 1.161 26 A CA 0.409 52.478 52.037 0.053 0.000 0.782 26 A CB -0.871 18.169 19.000 0.068 0.000 0.816 26 A HN 1.621 nan 8.150 nan 0.000 0.477 27 G N -2.450 106.402 108.800 0.087 0.000 2.640 27 G HA2 0.096 4.057 3.960 0.001 0.000 0.686 27 G HA3 0.096 4.057 3.960 0.001 0.000 0.686 27 G C 0.371 175.465 174.900 0.323 0.000 1.229 27 G CA -0.113 45.112 45.100 0.208 0.000 0.796 27 G HN 0.973 nan 8.290 nan 0.000 0.654 28 V N 1.121 121.327 119.914 0.487 0.000 2.446 28 V HA -0.026 4.094 4.120 0.001 0.000 0.244 28 V C 2.589 178.893 176.094 0.350 0.000 1.039 28 V CA 3.052 65.608 62.300 0.427 0.000 1.045 28 V CB -0.236 31.838 31.823 0.418 0.000 0.681 28 V HN 0.793 nan 8.190 nan 0.000 0.459 29 Q N 0.370 120.247 119.800 0.129 0.000 2.096 29 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 29 Q C 2.042 178.130 176.000 0.146 0.000 0.982 29 Q CA 2.376 58.203 55.803 0.039 0.000 0.850 29 Q CB -0.359 28.305 28.738 -0.124 0.000 0.901 29 Q HN 0.712 nan 8.270 nan 0.000 0.422 30 E N 0.172 120.464 120.200 0.154 0.000 2.110 30 E HA -0.148 4.203 4.350 0.001 0.000 0.193 30 E C 1.833 178.547 176.600 0.189 0.000 0.988 30 E CA 1.250 57.735 56.400 0.142 0.000 0.804 30 E CB -0.335 29.440 29.700 0.125 0.000 0.745 30 E HN 0.420 nan 8.360 nan 0.000 0.458 31 A N -0.090 122.886 122.820 0.260 0.000 1.898 31 A HA -0.155 4.166 4.320 0.001 0.000 0.216 31 A C 1.707 179.499 177.584 0.346 0.000 1.181 31 A CA 1.206 53.405 52.037 0.271 0.000 0.620 31 A CB -0.917 18.239 19.000 0.259 0.000 0.819 31 A HN 0.357 nan 8.150 nan 0.000 0.442 32 W N -0.307 121.113 121.300 0.200 0.000 2.436 32 W HA 0.137 4.798 4.660 0.001 0.000 0.284 32 W C 2.553 179.039 176.519 -0.055 0.000 1.225 32 W CA 0.938 58.341 57.345 0.096 0.000 1.271 32 W CB -0.286 29.197 29.460 0.040 0.000 1.114 32 W HN 0.355 nan 8.180 nan 0.000 0.559 33 A N -0.093 122.847 122.820 0.199 0.000 2.216 33 A HA -0.062 4.258 4.320 0.001 0.000 0.214 33 A C 1.916 179.518 177.584 0.031 0.000 1.160 33 A CA 1.364 53.445 52.037 0.072 0.000 0.725 33 A CB -0.799 18.233 19.000 0.052 0.000 0.784 33 A HN 0.102 nan 8.150 nan 0.000 0.472 34 V N -0.166 119.789 119.914 0.068 0.000 2.568 34 V HA -0.246 3.875 4.120 0.001 0.000 0.253 34 V C 2.307 178.355 176.094 -0.077 0.000 1.072 34 V CA 1.778 64.118 62.300 0.067 0.000 1.084 34 V CB -0.668 31.276 31.823 0.202 0.000 0.676 34 V HN 0.647 nan 8.190 nan 0.000 0.469 35 L N -0.693 120.419 121.223 -0.185 0.000 2.456 35 L HA -0.115 4.225 4.340 0.001 0.000 0.224 35 L C 2.043 178.743 176.870 -0.282 0.000 1.148 35 L CA 1.139 55.752 54.840 -0.379 0.000 0.825 35 L CB -0.274 41.538 42.059 -0.411 0.000 0.937 35 L HN 0.389 nan 8.230 nan 0.000 0.450 36 Q N -0.598 119.103 119.800 -0.165 0.000 2.198 36 Q HA 0.126 4.467 4.340 0.001 0.000 0.209 36 Q C -0.150 175.791 176.000 -0.099 0.000 0.848 36 Q CA -0.186 55.544 55.803 -0.123 0.000 0.974 36 Q CB 0.599 29.290 28.738 -0.079 0.000 1.115 36 Q HN 0.448 nan 8.270 nan 0.000 0.494 37 E N 0.523 120.659 120.200 -0.107 0.000 2.404 37 E HA -0.020 4.331 4.350 0.001 0.000 0.261 37 E C 0.886 177.441 176.600 -0.075 0.000 1.074 37 E CA 0.256 56.616 56.400 -0.067 0.000 0.917 37 E CB 0.853 30.531 29.700 -0.037 0.000 0.965 37 E HN 0.189 nan 8.360 nan 0.000 0.433 38 S N 1.867 117.540 115.700 -0.045 0.000 2.442 38 S HA -0.186 4.285 4.470 0.001 0.000 0.236 38 S C 1.109 175.686 174.600 -0.038 0.000 1.007 38 S CA 1.311 59.487 58.200 -0.040 0.000 0.965 38 S CB -0.240 62.945 63.200 -0.024 0.000 0.773 38 S HN 0.603 nan 8.310 nan 0.000 0.504 39 N N 0.962 119.642 118.700 -0.034 0.000 2.270 39 N HA 0.114 4.855 4.740 0.001 0.000 0.198 39 N C -0.327 175.155 175.510 -0.047 0.000 1.117 39 N CA -0.138 52.901 53.050 -0.017 0.000 0.845 39 N CB -0.202 38.294 38.487 0.016 0.000 0.980 39 N HN 0.342 nan 8.380 nan 0.000 0.486 40 V N 1.932 121.771 119.914 -0.125 0.000 2.383 40 V HA 0.366 4.487 4.120 0.001 0.000 0.275 40 V C -1.965 174.039 176.094 -0.151 0.000 1.036 40 V CA -1.574 60.589 62.300 -0.228 0.000 0.889 40 V CB 1.125 32.658 31.823 -0.484 0.000 0.985 40 V HN 0.033 nan 8.190 nan 0.000 0.459 41 P HA 0.125 nan 4.420 nan 0.000 0.271 41 P C 0.416 177.670 177.300 -0.076 0.000 1.244 41 P CA -0.237 62.839 63.100 -0.041 0.000 0.793 41 P CB 0.648 32.366 31.700 0.030 0.000 0.984 42 D N -0.659 119.699 120.400 -0.070 0.000 2.178 42 D HA -0.056 4.584 4.640 0.001 0.000 0.201 42 D C 0.416 176.665 176.300 -0.085 0.000 0.980 42 D CA 1.465 55.400 54.000 -0.108 0.000 0.842 42 D CB -0.146 40.559 40.800 -0.159 0.000 0.948 42 D HN 0.060 nan 8.370 nan 0.000 0.472 43 L N 0.634 121.841 121.223 -0.027 0.000 2.406 43 L HA 0.368 4.708 4.340 0.001 0.000 0.272 43 L C -0.767 176.215 176.870 0.188 0.000 0.980 43 L CA -0.951 53.927 54.840 0.064 0.000 0.831 43 L CB 1.804 43.872 42.059 0.015 0.000 1.253 43 L HN -0.149 nan 8.230 nan 0.000 0.406 44 V N 1.658 121.730 119.914 0.264 0.000 3.046 44 V HA 0.672 4.792 4.120 0.001 0.000 0.316 44 V C -1.247 175.121 176.094 0.457 0.000 1.104 44 V CA -0.804 61.680 62.300 0.306 0.000 1.006 44 V CB 2.078 33.986 31.823 0.143 0.000 1.058 44 V HN 0.925 nan 8.190 nan 0.000 0.440 45 W N 1.937 123.267 121.300 0.050 0.000 2.475 45 W HA 0.640 5.302 4.660 0.004 0.000 0.317 45 W C -0.832 175.565 176.519 -0.203 0.000 1.046 45 W CA -0.224 56.956 57.345 -0.277 0.000 1.215 45 W CB 1.928 31.002 29.460 -0.644 0.000 1.335 45 W HN 0.860 nan 8.180 nan 0.000 0.471 46 T N 5.318 119.419 114.554 -0.754 0.000 2.824 46 T HA 0.360 4.711 4.350 0.001 0.000 0.280 46 T C 1.038 175.256 174.700 -0.804 0.000 0.995 46 T CA -0.429 61.317 62.100 -0.590 0.000 1.009 46 T CB 1.103 69.659 68.868 -0.520 0.000 0.955 46 T HN 0.620 nan 8.240 nan 0.000 0.452 47 R N 1.972 122.288 120.500 -0.307 0.000 2.299 47 R HA 0.167 4.508 4.340 0.001 0.000 0.197 47 R C 0.655 176.861 176.300 -0.156 0.000 0.971 47 R CA -0.141 55.879 56.100 -0.134 0.000 1.030 47 R CB -0.318 29.996 30.300 0.024 0.000 0.932 47 R HN 0.556 nan 8.270 nan 0.000 0.477 48 C N 1.465 120.639 119.300 -0.210 0.000 2.700 48 C HA 0.078 4.539 4.460 0.001 0.000 0.397 48 C C 0.932 175.885 174.990 -0.062 0.000 1.301 48 C CA -0.282 58.658 59.018 -0.130 0.000 2.219 48 C CB -0.210 27.447 27.740 -0.138 0.000 2.699 48 C HN 0.692 nan 8.230 nan 0.000 0.669 49 N N 0.365 119.071 118.700 0.010 0.000 2.725 49 N HA -0.153 4.588 4.740 0.001 0.000 0.249 49 N C 0.704 176.258 175.510 0.073 0.000 1.103 49 N CA 0.941 54.038 53.050 0.079 0.000 0.707 49 N CB -1.206 37.395 38.487 0.190 0.000 1.043 49 N HN 1.385 nan 8.380 nan 0.000 0.553 50 G N -1.777 107.041 108.800 0.029 0.000 2.217 50 G HA2 0.115 4.076 3.960 0.001 0.000 0.246 50 G HA3 0.115 4.076 3.960 0.001 0.000 0.246 50 G C 0.547 175.466 174.900 0.031 0.000 0.990 50 G CA 0.347 45.471 45.100 0.040 0.000 0.627 50 G HN 1.595 nan 8.290 nan 0.000 0.522 51 G N -0.662 108.079 108.800 -0.098 0.000 3.190 51 G HA2 0.565 4.526 3.960 0.001 0.000 0.686 51 G HA3 0.565 4.526 3.960 0.001 0.000 0.686 51 G C -0.529 173.901 174.900 -0.783 0.000 1.033 51 G CA 0.617 45.458 45.100 -0.432 0.000 0.797 51 G HN 2.824 nan 8.290 nan 0.000 0.567 52 H N -1.590 116.492 119.070 -1.647 0.000 2.987 52 H HA 0.656 5.213 4.556 0.001 0.000 0.316 52 H C -0.546 174.113 175.328 -1.116 0.000 1.380 52 H CA -1.623 53.700 56.048 -1.209 0.000 1.160 52 H CB 0.139 29.650 29.762 -0.419 0.000 1.865 52 H HN 0.664 nan 8.280 nan 0.000 0.521 53 W N 0.956 122.178 121.300 -0.130 0.000 2.161 53 W HA 0.582 5.242 4.660 0.000 0.000 0.344 53 W C -0.225 176.366 176.519 0.121 0.000 1.262 53 W CA -0.490 56.914 57.345 0.099 0.000 1.270 53 W CB 0.717 30.342 29.460 0.274 0.000 1.126 53 W HN 0.442 nan 8.180 nan 0.000 0.598 54 I N 2.336 123.120 120.570 0.357 0.000 2.512 54 I HA 0.380 4.550 4.170 0.001 0.000 0.287 54 I C -0.290 175.921 176.117 0.157 0.000 1.069 54 I CA -1.212 60.220 61.300 0.220 0.000 1.056 54 I CB 1.443 39.506 38.000 0.104 0.000 1.229 54 I HN 0.432 nan 8.210 nan 0.000 0.429 55 A N 3.251 126.127 122.820 0.095 0.000 2.362 55 A HA 0.527 4.848 4.320 0.001 0.000 0.276 55 A C 0.882 178.455 177.584 -0.017 0.000 1.153 55 A CA -0.091 51.959 52.037 0.022 0.000 0.813 55 A CB 0.204 19.195 19.000 -0.014 0.000 1.081 55 A HN 0.866 nan 8.150 nan 0.000 0.507 56 T N -0.341 114.178 114.554 -0.059 0.000 3.044 56 T HA 0.280 4.630 4.350 0.001 0.000 0.260 56 T C 0.569 175.218 174.700 -0.084 0.000 1.019 56 T CA -0.147 61.902 62.100 -0.084 0.000 0.921 56 T CB 0.101 68.886 68.868 -0.138 0.000 1.053 56 T HN 0.540 nan 8.240 nan 0.000 0.533 57 R N 0.146 120.591 120.500 -0.091 0.000 2.750 57 R HA 0.585 4.926 4.340 0.001 0.000 0.281 57 R C 1.412 177.660 176.300 -0.086 0.000 0.972 57 R CA -0.305 55.739 56.100 -0.093 0.000 0.912 57 R CB 1.287 31.518 30.300 -0.116 0.000 1.187 57 R HN 0.197 nan 8.270 nan 0.000 0.464 58 G N 0.910 109.666 108.800 -0.073 0.000 2.469 58 G HA2 -0.333 3.628 3.960 0.001 0.000 0.219 58 G HA3 -0.333 3.628 3.960 0.001 0.000 0.219 58 G C 1.040 175.894 174.900 -0.078 0.000 1.150 58 G CA 0.825 45.884 45.100 -0.068 0.000 0.763 58 G HN 0.638 nan 8.290 nan 0.000 0.561 59 Q N -0.614 119.135 119.800 -0.084 0.000 2.084 59 Q HA -0.055 4.285 4.340 0.001 0.000 0.202 59 Q C 2.445 178.402 176.000 -0.073 0.000 0.978 59 Q CA 0.998 56.759 55.803 -0.071 0.000 0.844 59 Q CB -0.139 28.560 28.738 -0.066 0.000 0.898 59 Q HN 0.408 nan 8.270 nan 0.000 0.426 60 L N 0.276 121.409 121.223 -0.150 0.000 2.109 60 L HA -0.095 4.246 4.340 0.001 0.000 0.207 60 L C 2.138 179.004 176.870 -0.007 0.000 1.086 60 L CA 1.140 55.901 54.840 -0.133 0.000 0.760 60 L CB -0.349 41.545 42.059 -0.275 0.000 0.910 60 L HN 0.266 nan 8.230 nan 0.000 0.437 61 I N -0.916 119.622 120.570 -0.054 0.000 2.142 61 I HA -0.308 3.863 4.170 0.001 0.000 0.240 61 I C 2.635 178.765 176.117 0.021 0.000 1.078 61 I CA 1.261 62.528 61.300 -0.055 0.000 1.343 61 I CB -0.315 37.692 38.000 0.011 0.000 1.046 61 I HN 0.185 nan 8.210 nan 0.000 0.405 62 R N 0.549 121.045 120.500 -0.005 0.000 2.081 62 R HA -0.167 4.173 4.340 0.001 0.000 0.235 62 R C 2.210 178.611 176.300 0.168 0.000 1.131 62 R CA 1.390 57.459 56.100 -0.051 0.000 0.960 62 R CB -0.321 29.739 30.300 -0.400 0.000 0.856 62 R HN 0.454 nan 8.270 nan 0.000 0.436 63 E N 0.367 120.654 120.200 0.145 0.000 2.085 63 E HA -0.187 4.164 4.350 0.001 0.000 0.194 63 E C 2.000 178.725 176.600 0.208 0.000 0.994 63 E CA 1.269 57.819 56.400 0.251 0.000 0.801 63 E CB -0.065 29.844 29.700 0.348 0.000 0.743 63 E HN 0.364 nan 8.360 nan 0.000 0.453 64 A N 0.261 123.061 122.820 -0.034 0.000 1.929 64 A HA -0.152 4.169 4.320 0.001 0.000 0.216 64 A C 1.735 179.182 177.584 -0.228 0.000 1.176 64 A CA 0.974 52.678 52.037 -0.555 0.000 0.628 64 A CB -0.578 17.647 19.000 -1.291 0.000 0.816 64 A HN 0.242 nan 8.150 nan 0.000 0.444 65 Y N 0.527 120.852 120.300 0.040 0.000 2.352 65 Y HA -0.115 4.436 4.550 0.002 0.000 0.292 65 Y C 2.330 178.374 175.900 0.240 0.000 1.136 65 Y CA 1.406 59.606 58.100 0.166 0.000 1.227 65 Y CB -0.303 38.293 38.460 0.227 0.000 0.991 65 Y HN 0.475 nan 8.280 nan 0.000 0.545 66 E N -0.805 119.633 120.200 0.395 0.000 2.152 66 E HA -0.142 4.208 4.350 0.001 0.000 0.192 66 E C 0.446 177.216 176.600 0.283 0.000 0.983 66 E CA 0.880 57.470 56.400 0.316 0.000 0.818 66 E CB 0.030 29.904 29.700 0.289 0.000 0.758 66 E HN 0.145 nan 8.360 nan 0.000 0.467 67 D N 0.177 120.738 120.400 0.269 0.000 2.631 67 D HA -0.021 4.620 4.640 0.001 0.000 0.227 67 D C 0.473 176.872 176.300 0.165 0.000 1.146 67 D CA -0.385 53.723 54.000 0.179 0.000 1.009 67 D CB -0.202 40.788 40.800 0.317 0.000 1.057 67 D HN 0.211 nan 8.370 nan 0.000 0.509 68 Y N 0.731 121.126 120.300 0.157 0.000 2.421 68 Y HA 0.057 4.609 4.550 0.003 0.000 0.292 68 Y C 1.844 177.761 175.900 0.027 0.000 1.136 68 Y CA 0.420 58.604 58.100 0.140 0.000 1.255 68 Y CB -0.252 38.292 38.460 0.141 0.000 0.991 68 Y HN 0.027 nan 8.280 nan 0.000 0.552 69 R N 0.030 120.197 120.500 -0.555 0.000 2.092 69 R HA -0.114 4.226 4.340 0.001 0.000 0.231 69 R C 1.534 177.546 176.300 -0.480 0.000 1.119 69 R CA 1.998 57.795 56.100 -0.503 0.000 0.970 69 R CB -0.561 29.319 30.300 -0.700 0.000 0.864 69 R HN 0.590 nan 8.270 nan 0.000 0.440 70 H N -1.676 117.149 119.070 -0.409 0.000 2.431 70 H HA 0.083 4.640 4.556 0.001 0.000 0.295 70 H C -0.088 174.875 175.328 -0.610 0.000 1.038 70 H CA 0.441 56.091 56.048 -0.664 0.000 1.360 70 H CB 0.314 29.344 29.762 -1.219 0.000 1.433 70 H HN -0.030 nan 8.280 nan 0.000 0.536 71 F N 1.104 121.046 119.950 -0.013 0.000 2.307 71 F HA 0.290 4.818 4.527 0.002 0.000 0.369 71 F C 0.225 176.063 175.800 0.063 0.000 1.076 71 F CA -0.706 57.293 58.000 -0.000 0.000 1.149 71 F CB 1.125 40.085 39.000 -0.066 0.000 1.410 71 F HN -0.094 nan 8.300 nan 0.000 0.481 72 S N 0.814 116.622 115.700 0.180 0.000 2.586 72 S HA 0.268 4.738 4.470 0.001 0.000 0.274 72 S C 1.072 175.752 174.600 0.133 0.000 1.281 72 S CA -0.486 57.811 58.200 0.161 0.000 1.035 72 S CB 1.148 64.409 63.200 0.101 0.000 0.962 72 S HN 0.473 nan 8.310 nan 0.000 0.512 73 S N 2.430 118.199 115.700 0.115 0.000 2.631 73 S HA 0.044 4.515 4.470 0.001 0.000 0.217 73 S C 1.486 176.097 174.600 0.017 0.000 0.958 73 S CA 0.108 58.325 58.200 0.028 0.000 0.920 73 S CB -0.200 62.955 63.200 -0.075 0.000 0.776 73 S HN 0.869 nan 8.310 nan 0.000 0.517 74 E N 0.195 120.421 120.200 0.043 0.000 2.204 74 E HA -0.114 4.237 4.350 0.001 0.000 0.194 74 E C 0.311 176.917 176.600 0.011 0.000 0.989 74 E CA 0.684 57.100 56.400 0.028 0.000 0.824 74 E CB 0.137 29.858 29.700 0.036 0.000 0.756 74 E HN 0.393 nan 8.360 nan 0.000 0.477 75 C N 1.763 121.065 119.300 0.003 0.000 3.002 75 C HA 0.460 4.920 4.460 0.001 0.000 0.248 75 C C -2.192 172.761 174.990 -0.061 0.000 1.153 75 C CA -1.517 57.486 59.018 -0.025 0.000 1.502 75 C CB 1.061 28.812 27.740 0.018 0.000 1.805 75 C HN 0.275 nan 8.230 nan 0.000 0.450 76 P HA 0.226 nan 4.420 nan 0.000 0.267 76 P C -0.202 177.067 177.300 -0.051 0.000 1.289 76 P CA 0.279 63.277 63.100 -0.171 0.000 0.866 76 P CB 0.244 31.757 31.700 -0.312 0.000 1.309 77 F N 0.152 119.979 119.950 -0.206 0.000 2.538 77 F HA 0.460 4.988 4.527 0.001 0.000 0.325 77 F C 0.819 176.517 175.800 -0.170 0.000 1.066 77 F CA -2.481 55.376 58.000 -0.238 0.000 0.946 77 F CB 0.892 39.661 39.000 -0.385 0.000 1.199 77 F HN -0.352 nan 8.300 nan 0.000 0.473 78 I N 4.643 125.232 120.570 0.032 0.000 2.392 78 I HA 0.336 4.507 4.170 0.001 0.000 0.295 78 I C -2.045 174.127 176.117 0.093 0.000 0.985 78 I CA -1.796 59.489 61.300 -0.026 0.000 1.221 78 I CB 1.719 39.572 38.000 -0.245 0.000 1.366 78 I HN 0.345 nan 8.210 nan 0.000 0.467 79 P HA 0.196 nan 4.420 nan 0.000 0.278 79 P C 0.265 177.577 177.300 0.019 0.000 1.266 79 P CA -0.592 62.526 63.100 0.030 0.000 0.807 79 P CB 1.061 32.770 31.700 0.015 0.000 1.094 80 R N 0.359 120.877 120.500 0.029 0.000 2.103 80 R HA -0.205 4.135 4.340 0.001 0.000 0.242 80 R C 1.698 178.017 176.300 0.032 0.000 1.142 80 R CA 1.850 57.971 56.100 0.035 0.000 0.960 80 R CB -0.293 30.038 30.300 0.052 0.000 0.858 80 R HN 0.358 nan 8.270 nan 0.000 0.439 81 E N 0.121 120.340 120.200 0.032 0.000 2.153 81 E HA -0.130 4.221 4.350 0.001 0.000 0.194 81 E C 1.679 178.308 176.600 0.048 0.000 0.988 81 E CA 1.397 57.823 56.400 0.042 0.000 0.811 81 E CB -0.262 29.461 29.700 0.040 0.000 0.746 81 E HN 0.489 nan 8.360 nan 0.000 0.466 82 A N 0.213 123.036 122.820 0.006 0.000 1.897 82 A HA 0.018 4.339 4.320 0.001 0.000 0.215 82 A C 2.446 179.981 177.584 -0.081 0.000 1.181 82 A CA 1.588 53.577 52.037 -0.080 0.000 0.620 82 A CB -1.007 17.873 19.000 -0.200 0.000 0.821 82 A HN 0.341 nan 8.150 nan 0.000 0.443 83 G N -0.447 108.334 108.800 -0.033 0.000 2.422 83 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 83 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 83 G C 1.418 176.304 174.900 -0.022 0.000 1.146 83 G CA 0.973 46.020 45.100 -0.088 0.000 0.769 83 G HN 0.648 nan 8.290 nan 0.000 0.547 84 E N 0.405 120.620 120.200 0.025 0.000 2.072 84 E HA -0.006 4.345 4.350 0.001 0.000 0.191 84 E C 2.859 179.508 176.600 0.081 0.000 0.985 84 E CA 0.760 57.189 56.400 0.049 0.000 0.801 84 E CB -0.131 29.600 29.700 0.052 0.000 0.750 84 E HN 0.413 nan 8.360 nan 0.000 0.452 85 A N 0.700 123.597 122.820 0.129 0.000 2.066 85 A HA -0.109 4.212 4.320 0.001 0.000 0.218 85 A C 0.815 178.549 177.584 0.250 0.000 1.157 85 A CA 0.188 52.346 52.037 0.202 0.000 0.670 85 A CB -0.421 18.771 19.000 0.320 0.000 0.804 85 A HN 0.332 nan 8.150 nan 0.000 0.453 86 Y N 1.921 122.236 120.300 0.026 0.000 2.465 86 Y HA 0.271 4.821 4.550 0.001 0.000 0.331 86 Y C 0.082 175.932 175.900 -0.084 0.000 1.102 86 Y CA -0.026 58.038 58.100 -0.060 0.000 1.358 86 Y CB 0.648 38.835 38.460 -0.454 0.000 1.213 86 Y HN 0.405 nan 8.280 nan 0.000 0.525 87 D N 4.621 124.765 120.400 -0.427 0.000 2.692 87 D HA 0.039 4.679 4.640 0.001 0.000 0.290 87 D C -0.738 175.456 176.300 -0.176 0.000 1.455 87 D CA -0.324 53.532 54.000 -0.240 0.000 0.796 87 D CB -0.739 40.050 40.800 -0.019 0.000 1.131 87 D HN 0.149 nan 8.370 nan 0.000 0.467 88 F N 1.180 120.696 119.950 -0.723 0.000 2.496 88 F HA 0.359 4.887 4.527 0.001 0.000 0.344 88 F C 1.210 176.842 175.800 -0.280 0.000 1.155 88 F CA -1.050 56.706 58.000 -0.407 0.000 1.302 88 F CB 0.460 39.216 39.000 -0.407 0.000 1.159 88 F HN -0.098 nan 8.300 nan 0.000 0.595 89 I N 4.044 124.621 120.570 0.013 0.000 2.433 89 I HA 0.219 4.390 4.170 0.001 0.000 0.292 89 I C -1.877 174.256 176.117 0.027 0.000 1.001 89 I CA -1.719 59.539 61.300 -0.070 0.000 1.119 89 I CB 2.379 40.234 38.000 -0.242 0.000 1.289 89 I HN 0.310 nan 8.210 nan 0.000 0.438 90 P HA 0.053 nan 4.420 nan 0.000 0.262 90 P C 1.077 178.504 177.300 0.212 0.000 1.304 90 P CA 0.185 63.343 63.100 0.096 0.000 0.859 90 P CB -0.017 31.762 31.700 0.132 0.000 1.310 91 T N -3.176 111.503 114.554 0.208 0.000 3.051 91 T HA -0.076 4.275 4.350 0.001 0.000 0.269 91 T C 1.414 176.168 174.700 0.090 0.000 1.127 91 T CA 1.201 63.409 62.100 0.179 0.000 1.107 91 T CB -0.845 68.205 68.868 0.304 0.000 0.898 91 T HN 0.206 nan 8.240 nan 0.000 0.517 92 S N -0.086 115.651 115.700 0.062 0.000 2.575 92 S HA 0.499 4.970 4.470 0.001 0.000 0.237 92 S C 0.164 174.777 174.600 0.021 0.000 0.975 92 S CA -0.879 57.331 58.200 0.018 0.000 0.960 92 S CB -0.438 62.719 63.200 -0.072 0.000 0.822 92 S HN 0.415 nan 8.310 nan 0.000 0.472 93 M N 1.685 121.334 119.600 0.081 0.000 2.535 93 M HA 0.532 5.013 4.480 0.001 0.000 0.314 93 M C -1.258 175.155 176.300 0.190 0.000 1.153 93 M CA -0.629 54.721 55.300 0.083 0.000 0.924 93 M CB 1.691 34.300 32.600 0.014 0.000 1.710 93 M HN 0.010 nan 8.290 nan 0.000 0.451 94 D N 1.973 122.445 120.400 0.120 0.000 2.217 94 D HA 0.496 5.136 4.640 0.001 0.000 0.248 94 D C -2.453 173.813 176.300 -0.056 0.000 1.008 94 D CA -1.200 52.857 54.000 0.095 0.000 0.914 94 D CB 1.325 42.213 40.800 0.146 0.000 1.182 94 D HN 0.152 nan 8.370 nan 0.000 0.451 95 P HA 0.111 nan 4.420 nan 0.000 0.270 95 P C -1.820 175.392 177.300 -0.146 0.000 1.223 95 P CA -0.862 62.038 63.100 -0.332 0.000 0.785 95 P CB 0.135 31.410 31.700 -0.708 0.000 0.923 96 P HA -0.073 nan 4.420 nan 0.000 0.231 96 P C 1.193 178.484 177.300 -0.015 0.000 1.168 96 P CA 0.901 63.968 63.100 -0.055 0.000 0.779 96 P CB -0.118 31.579 31.700 -0.004 0.000 0.844 97 E N 0.956 121.177 120.200 0.034 0.000 2.118 97 E HA -0.266 4.085 4.350 0.001 0.000 0.195 97 E C 2.145 178.862 176.600 0.195 0.000 0.992 97 E CA 0.831 57.301 56.400 0.117 0.000 0.804 97 E CB -0.875 28.914 29.700 0.149 0.000 0.741 97 E HN 0.147 nan 8.360 nan 0.000 0.458 98 Q N 1.209 121.066 119.800 0.095 0.000 2.181 98 Q HA -0.219 4.122 4.340 0.001 0.000 0.205 98 Q C 2.141 178.180 176.000 0.064 0.000 0.980 98 Q CA 1.585 57.442 55.803 0.090 0.000 0.862 98 Q CB -0.024 28.675 28.738 -0.065 0.000 0.905 98 Q HN 0.397 nan 8.270 nan 0.000 0.429 99 R N -0.238 120.250 120.500 -0.019 0.000 2.081 99 R HA -0.132 4.209 4.340 0.001 0.000 0.235 99 R C 2.401 178.681 176.300 -0.034 0.000 1.131 99 R CA 1.638 57.705 56.100 -0.054 0.000 0.960 99 R CB -0.154 30.101 30.300 -0.075 0.000 0.856 99 R HN 0.412 nan 8.270 nan 0.000 0.436 100 Q N -0.522 119.246 119.800 -0.054 0.000 2.245 100 Q HA -0.051 4.289 4.340 0.001 0.000 0.201 100 Q C 1.784 177.681 176.000 -0.171 0.000 0.955 100 Q CA 0.973 56.690 55.803 -0.143 0.000 0.870 100 Q CB 0.089 28.688 28.738 -0.231 0.000 0.945 100 Q HN 0.304 nan 8.270 nan 0.000 0.461 101 F N 0.729 120.659 119.950 -0.034 0.000 2.186 101 F HA -0.111 4.417 4.527 0.001 0.000 0.299 101 F C 2.561 178.348 175.800 -0.022 0.000 1.090 101 F CA 1.039 59.026 58.000 -0.022 0.000 1.307 101 F CB -0.181 38.813 39.000 -0.011 0.000 1.019 101 F HN -0.002 nan 8.300 nan 0.000 0.489 102 R N 0.782 121.363 120.500 0.136 0.000 2.081 102 R HA -0.156 4.185 4.340 0.001 0.000 0.235 102 R C 2.304 178.617 176.300 0.021 0.000 1.131 102 R CA 1.351 57.484 56.100 0.055 0.000 0.960 102 R CB -0.499 29.794 30.300 -0.010 0.000 0.856 102 R HN 0.249 nan 8.270 nan 0.000 0.436 103 A N 1.168 123.984 122.820 -0.007 0.000 1.933 103 A HA -0.161 4.159 4.320 0.001 0.000 0.218 103 A C 2.030 179.604 177.584 -0.016 0.000 1.175 103 A CA 1.233 53.257 52.037 -0.022 0.000 0.628 103 A CB -0.532 18.441 19.000 -0.044 0.000 0.814 103 A HN 0.404 nan 8.150 nan 0.000 0.444 104 L N -0.268 120.945 121.223 -0.017 0.000 2.027 104 L HA -0.010 4.331 4.340 0.001 0.000 0.206 104 L C 2.665 179.547 176.870 0.020 0.000 1.074 104 L CA 2.196 57.030 54.840 -0.010 0.000 0.745 104 L CB -0.831 41.215 42.059 -0.022 0.000 0.898 104 L HN 0.319 nan 8.230 nan 0.000 0.433 105 A N -0.406 122.442 122.820 0.048 0.000 1.940 105 A HA -0.292 4.029 4.320 0.001 0.000 0.219 105 A C 2.170 179.775 177.584 0.035 0.000 1.176 105 A CA 1.895 53.963 52.037 0.052 0.000 0.631 105 A CB -1.100 17.942 19.000 0.070 0.000 0.814 105 A HN 0.643 nan 8.150 nan 0.000 0.446 106 N N -0.191 118.524 118.700 0.024 0.000 2.223 106 N HA -0.189 4.552 4.740 0.001 0.000 0.185 106 N C 1.778 177.296 175.510 0.013 0.000 1.016 106 N CA 1.751 54.812 53.050 0.018 0.000 0.863 106 N CB -0.321 38.172 38.487 0.010 0.000 0.983 106 N HN 0.649 nan 8.380 nan 0.000 0.429 107 Q N -0.841 118.962 119.800 0.005 0.000 2.291 107 Q HA -0.055 4.285 4.340 0.001 0.000 0.205 107 Q C 1.644 177.645 176.000 0.001 0.000 0.970 107 Q CA 1.350 57.152 55.803 -0.002 0.000 0.876 107 Q CB 0.239 28.972 28.738 -0.009 0.000 0.935 107 Q HN 0.518 nan 8.270 nan 0.000 0.455 108 V N -3.811 116.109 119.914 0.011 0.000 3.635 108 V HA 0.123 4.243 4.120 0.001 0.000 0.266 108 V C 1.334 177.440 176.094 0.020 0.000 1.316 108 V CA 0.397 62.703 62.300 0.010 0.000 1.060 108 V CB 0.756 32.587 31.823 0.012 0.000 0.820 108 V HN 0.186 nan 8.190 nan 0.000 0.447 109 V N -2.333 117.600 119.914 0.030 0.000 3.382 109 V HA 0.706 4.827 4.120 0.001 0.000 0.296 109 V C 1.101 177.218 176.094 0.037 0.000 1.529 109 V CA 0.333 62.655 62.300 0.037 0.000 1.048 109 V CB -0.517 31.336 31.823 0.050 0.000 0.878 109 V HN 0.444 nan 8.190 nan 0.000 0.442 110 G N -0.102 108.722 108.800 0.040 0.000 2.631 110 G HA2 0.293 4.254 3.960 0.001 0.000 0.271 110 G HA3 0.293 4.254 3.960 0.001 0.000 0.271 110 G C 0.585 175.520 174.900 0.058 0.000 1.302 110 G CA 0.282 45.423 45.100 0.068 0.000 1.002 110 G HN 0.160 nan 8.290 nan 0.000 0.519 111 M N 1.363 120.983 119.600 0.034 0.000 2.082 111 M HA -0.057 4.424 4.480 0.001 0.000 0.258 111 M C 0.052 176.323 176.300 -0.048 0.000 1.069 111 M CA 1.752 57.013 55.300 -0.065 0.000 1.102 111 M CB -1.152 31.305 32.600 -0.237 0.000 1.336 111 M HN 0.374 nan 8.290 nan 0.000 0.404 112 P HA -0.073 nan 4.420 nan 0.000 0.217 112 P C 1.828 179.117 177.300 -0.017 0.000 1.151 112 P CA 1.194 64.275 63.100 -0.031 0.000 0.828 112 P CB -0.218 31.465 31.700 -0.029 0.000 0.788 113 V N 0.508 120.415 119.914 -0.010 0.000 2.370 113 V HA -0.226 3.894 4.120 0.001 0.000 0.252 113 V C 2.820 178.913 176.094 -0.001 0.000 1.068 113 V CA 1.806 64.103 62.300 -0.006 0.000 1.061 113 V CB -1.135 30.687 31.823 -0.001 0.000 0.656 113 V HN -0.046 nan 8.190 nan 0.000 0.455 114 V N -0.179 119.737 119.914 0.005 0.000 2.343 114 V HA -0.252 3.868 4.120 0.001 0.000 0.247 114 V C 2.222 178.322 176.094 0.009 0.000 1.051 114 V CA 2.225 64.533 62.300 0.013 0.000 1.036 114 V CB -0.631 31.207 31.823 0.024 0.000 0.654 114 V HN 0.576 nan 8.190 nan 0.000 0.451 115 D N 0.173 120.572 120.400 -0.002 0.000 2.224 115 D HA -0.142 4.498 4.640 0.001 0.000 0.205 115 D C 2.207 178.509 176.300 0.003 0.000 0.965 115 D CA 1.363 55.364 54.000 0.001 0.000 0.852 115 D CB -0.105 40.690 40.800 -0.008 0.000 0.947 115 D HN 0.648 nan 8.370 nan 0.000 0.494 116 K N 0.712 121.111 120.400 -0.002 0.000 2.148 116 K HA -0.047 4.274 4.320 0.001 0.000 0.204 116 K C 1.963 178.563 176.600 0.001 0.000 1.050 116 K CA 0.907 57.192 56.287 -0.003 0.000 0.942 116 K CB -0.314 32.180 32.500 -0.009 0.000 0.724 116 K HN 0.108 nan 8.250 nan 0.000 0.446 117 L N 0.917 122.141 121.223 0.002 0.000 2.509 117 L HA 0.062 4.403 4.340 0.001 0.000 0.222 117 L C 2.345 179.228 176.870 0.022 0.000 1.123 117 L CA 0.400 55.242 54.840 0.005 0.000 0.856 117 L CB -0.236 41.821 42.059 -0.003 0.000 0.985 117 L HN 0.261 nan 8.230 nan 0.000 0.456 118 E N 1.788 122.005 120.200 0.028 0.000 2.130 118 E HA -0.269 4.082 4.350 0.001 0.000 0.196 118 E C 1.851 178.485 176.600 0.056 0.000 0.998 118 E CA 1.959 58.388 56.400 0.047 0.000 0.806 118 E CB -0.245 29.480 29.700 0.042 0.000 0.738 118 E HN 0.596 nan 8.360 nan 0.000 0.459 119 N N -0.175 118.550 118.700 0.042 0.000 2.244 119 N HA -0.172 4.569 4.740 0.001 0.000 0.183 119 N C 1.447 176.990 175.510 0.055 0.000 1.016 119 N CA 0.804 53.881 53.050 0.045 0.000 0.866 119 N CB -0.182 38.324 38.487 0.031 0.000 0.980 119 N HN 0.081 nan 8.380 nan 0.000 0.430 120 R N 0.817 121.346 120.500 0.049 0.000 2.093 120 R HA 0.177 4.518 4.340 0.001 0.000 0.224 120 R C 2.426 178.781 176.300 0.093 0.000 1.101 120 R CA 0.267 56.399 56.100 0.054 0.000 0.979 120 R CB -0.723 29.594 30.300 0.029 0.000 0.877 120 R HN 0.359 nan 8.270 nan 0.000 0.441 121 I N 1.225 121.856 120.570 0.102 0.000 2.179 121 I HA -0.316 3.854 4.170 0.001 0.000 0.242 121 I C 2.715 178.995 176.117 0.271 0.000 1.088 121 I CA 1.423 62.835 61.300 0.187 0.000 1.357 121 I CB -0.346 37.743 38.000 0.148 0.000 1.051 121 I HN 0.090 nan 8.210 nan 0.000 0.409 122 Q N 1.261 121.167 119.800 0.176 0.000 2.061 122 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 122 Q C 2.150 178.225 176.000 0.126 0.000 0.984 122 Q CA 2.019 57.908 55.803 0.144 0.000 0.846 122 Q CB -0.312 28.485 28.738 0.097 0.000 0.902 122 Q HN 0.425 nan 8.270 nan 0.000 0.421 123 E N -0.500 119.763 120.200 0.106 0.000 2.077 123 E HA -0.186 4.165 4.350 0.001 0.000 0.193 123 E C 1.918 178.580 176.600 0.103 0.000 0.989 123 E CA 1.249 57.700 56.400 0.084 0.000 0.800 123 E CB -0.193 29.545 29.700 0.064 0.000 0.746 123 E HN 0.418 nan 8.360 nan 0.000 0.452 124 L N 1.098 122.412 121.223 0.151 0.000 2.046 124 L HA -0.097 4.243 4.340 0.001 0.000 0.208 124 L C 2.362 179.327 176.870 0.159 0.000 1.077 124 L CA 2.287 57.234 54.840 0.178 0.000 0.747 124 L CB -0.916 41.300 42.059 0.261 0.000 0.896 124 L HN 0.118 nan 8.230 nan 0.000 0.432 125 A N -1.158 121.761 122.820 0.164 0.000 1.883 125 A HA -0.259 4.062 4.320 0.001 0.000 0.217 125 A C 2.394 180.029 177.584 0.086 0.000 1.186 125 A CA 2.003 54.045 52.037 0.008 0.000 0.624 125 A CB -1.528 17.445 19.000 -0.044 0.000 0.822 125 A HN 0.640 nan 8.150 nan 0.000 0.444 126 C N -0.463 118.876 119.300 0.065 0.000 2.425 126 C HA -0.060 4.401 4.460 0.001 0.000 0.277 126 C C 3.454 178.460 174.990 0.026 0.000 1.280 126 C CA 1.374 60.409 59.018 0.028 0.000 1.744 126 C CB -1.176 26.578 27.740 0.023 0.000 1.989 126 C HN 0.789 nan 8.230 nan 0.000 0.491 127 S N 0.601 116.329 115.700 0.047 0.000 2.368 127 S HA -0.064 4.407 4.470 0.001 0.000 0.224 127 S C 1.781 176.410 174.600 0.049 0.000 1.029 127 S CA 1.278 59.502 58.200 0.040 0.000 0.988 127 S CB -0.522 62.705 63.200 0.045 0.000 0.838 127 S HN 0.632 nan 8.310 nan 0.000 0.462 128 L N 0.561 121.831 121.223 0.078 0.000 2.046 128 L HA -0.005 4.336 4.340 0.001 0.000 0.208 128 L C 2.598 179.544 176.870 0.126 0.000 1.077 128 L CA 1.419 56.327 54.840 0.113 0.000 0.747 128 L CB -0.507 41.622 42.059 0.117 0.000 0.896 128 L HN 0.353 nan 8.230 nan 0.000 0.432 129 I N -0.443 120.180 120.570 0.090 0.000 2.252 129 I HA -0.247 3.924 4.170 0.001 0.000 0.245 129 I C 2.550 178.580 176.117 -0.145 0.000 1.102 129 I CA 0.962 62.196 61.300 -0.110 0.000 1.385 129 I CB -0.189 37.658 38.000 -0.255 0.000 1.064 129 I HN 0.227 nan 8.210 nan 0.000 0.414 130 E N 1.238 121.392 120.200 -0.078 0.000 2.204 130 E HA -0.197 4.154 4.350 0.001 0.000 0.195 130 E C 2.177 178.768 176.600 -0.014 0.000 0.990 130 E CA 1.657 58.021 56.400 -0.060 0.000 0.821 130 E CB -0.163 29.516 29.700 -0.035 0.000 0.750 130 E HN 0.515 nan 8.360 nan 0.000 0.477 131 S N -0.428 115.281 115.700 0.015 0.000 2.402 131 S HA -0.106 4.364 4.470 0.001 0.000 0.229 131 S C 1.972 176.611 174.600 0.064 0.000 1.021 131 S CA 1.091 59.314 58.200 0.039 0.000 0.974 131 S CB -0.402 62.828 63.200 0.049 0.000 0.800 131 S HN 0.339 nan 8.310 nan 0.000 0.484 132 L N 0.582 121.854 121.223 0.081 0.000 2.249 132 L HA 0.208 4.548 4.340 0.001 0.000 0.207 132 L C 2.993 180.021 176.870 0.264 0.000 1.090 132 L CA 0.606 55.552 54.840 0.177 0.000 0.802 132 L CB -0.505 41.693 42.059 0.232 0.000 0.947 132 L HN 0.270 nan 8.230 nan 0.000 0.453 133 R N 1.081 121.645 120.500 0.107 0.000 2.112 133 R HA -0.192 4.148 4.340 0.001 0.000 0.242 133 R C -0.599 175.890 176.300 0.316 0.000 1.137 133 R CA 2.176 58.359 56.100 0.139 0.000 0.944 133 R CB -1.210 29.037 30.300 -0.088 0.000 0.857 133 R HN 0.250 nan 8.270 nan 0.000 0.435 134 P HA -0.058 nan 4.420 nan 0.000 0.230 134 P C 0.520 177.858 177.300 0.065 0.000 1.158 134 P CA 1.098 64.264 63.100 0.110 0.000 0.769 134 P CB -0.043 31.689 31.700 0.054 0.000 0.807 135 Q N -0.993 118.841 119.800 0.057 0.000 2.245 135 Q HA 0.080 4.420 4.340 0.001 0.000 0.201 135 Q C 1.515 177.326 176.000 -0.316 0.000 0.955 135 Q CA 0.934 56.689 55.803 -0.079 0.000 0.870 135 Q CB -0.463 28.249 28.738 -0.044 0.000 0.945 135 Q HN 0.250 nan 8.270 nan 0.000 0.461 136 G N 1.558 109.967 108.800 -0.651 0.000 2.162 136 G HA2 -0.311 3.649 3.960 0.001 0.000 0.260 136 G HA3 -0.311 3.649 3.960 0.001 0.000 0.260 136 G C -0.050 173.898 174.900 -1.587 0.000 0.976 136 G CA 0.767 45.055 45.100 -1.354 0.000 0.655 136 G HN 0.459 nan 8.290 nan 0.000 0.533 137 Q N -1.643 117.296 119.800 -1.435 0.000 2.647 137 Q HA 0.635 4.976 4.340 0.001 0.000 0.283 137 Q C -0.340 175.496 176.000 -0.274 0.000 0.943 137 Q CA -0.741 54.583 55.803 -0.799 0.000 0.813 137 Q CB 1.490 30.013 28.738 -0.359 0.000 1.477 137 Q HN 1.402 nan 8.270 nan 0.000 0.393 138 C N -0.486 118.862 119.300 0.080 0.000 3.295 138 C HA 0.697 5.158 4.460 0.001 0.000 0.341 138 C C -1.476 173.632 174.990 0.197 0.000 1.418 138 C CA -0.901 58.249 59.018 0.219 0.000 1.240 138 C CB 1.449 29.453 27.740 0.440 0.000 1.562 138 C HN 0.971 nan 8.230 nan 0.000 0.457 139 N N 0.563 119.358 118.700 0.158 0.000 2.527 139 N HA 0.270 5.011 4.740 0.001 0.000 0.236 139 N C 0.057 175.662 175.510 0.158 0.000 0.999 139 N CA -1.046 52.088 53.050 0.140 0.000 0.935 139 N CB 0.450 38.986 38.487 0.081 0.000 1.132 139 N HN 0.789 nan 8.380 nan 0.000 0.511 140 F N 3.471 123.459 119.950 0.064 0.000 2.126 140 F HA -0.173 4.355 4.527 0.001 0.000 0.299 140 F C 1.772 177.593 175.800 0.036 0.000 1.096 140 F CA 1.617 59.633 58.000 0.027 0.000 1.255 140 F CB -0.236 38.674 39.000 -0.150 0.000 0.997 140 F HN 0.408 nan 8.300 nan 0.000 0.479 141 T N -0.465 114.103 114.554 0.022 0.000 2.746 141 T HA -0.234 4.117 4.350 0.001 0.000 0.267 141 T C 1.692 176.320 174.700 -0.119 0.000 1.039 141 T CA 1.782 63.838 62.100 -0.073 0.000 1.142 141 T CB -0.296 68.573 68.868 0.001 0.000 0.866 141 T HN 0.309 nan 8.240 nan 0.000 0.444 142 E N 0.774 120.941 120.200 -0.055 0.000 2.170 142 E HA -0.071 4.280 4.350 0.001 0.000 0.191 142 E C 1.460 178.037 176.600 -0.039 0.000 0.981 142 E CA 0.906 57.286 56.400 -0.034 0.000 0.830 142 E CB 0.010 29.711 29.700 0.002 0.000 0.775 142 E HN 0.285 nan 8.360 nan 0.000 0.470 143 D N -1.546 118.836 120.400 -0.030 0.000 2.366 143 D HA 0.008 4.649 4.640 0.001 0.000 0.205 143 D C 0.702 177.014 176.300 0.019 0.000 1.022 143 D CA 0.490 54.504 54.000 0.023 0.000 0.868 143 D CB 0.369 41.233 40.800 0.106 0.000 0.953 143 D HN 0.253 nan 8.370 nan 0.000 0.514 144 Y N 0.325 120.450 120.300 -0.292 0.000 2.921 144 Y HA 0.369 4.920 4.550 0.001 0.000 0.246 144 Y C 2.021 177.703 175.900 -0.363 0.000 1.030 144 Y CA 0.644 58.540 58.100 -0.340 0.000 1.338 144 Y CB -0.160 38.026 38.460 -0.457 0.000 1.493 144 Y HN -0.148 nan 8.280 nan 0.000 0.452 145 A N 0.721 123.259 122.820 -0.470 0.000 1.972 145 A HA -0.131 4.190 4.320 0.001 0.000 0.219 145 A C 1.847 179.368 177.584 -0.105 0.000 1.169 145 A CA 2.072 53.975 52.037 -0.223 0.000 0.635 145 A CB -0.552 18.324 19.000 -0.208 0.000 0.810 145 A HN 0.670 nan 8.150 nan 0.000 0.446 146 E N -0.727 119.400 120.200 -0.122 0.000 2.033 146 E HA -0.081 4.270 4.350 0.001 0.000 0.189 146 E C -0.642 175.921 176.600 -0.061 0.000 0.979 146 E CA 0.949 57.308 56.400 -0.068 0.000 0.802 146 E CB -0.642 29.024 29.700 -0.056 0.000 0.763 146 E HN 0.447 nan 8.360 nan 0.000 0.449 147 P HA -0.138 nan 4.420 nan 0.000 0.221 147 P C 1.016 178.297 177.300 -0.032 0.000 1.150 147 P CA 0.835 63.905 63.100 -0.050 0.000 0.800 147 P CB -0.005 31.665 31.700 -0.050 0.000 0.787 148 F N 2.652 122.422 119.950 -0.300 0.000 2.039 148 F HA -0.034 4.493 4.527 0.001 0.000 0.294 148 F C -0.902 174.824 175.800 -0.124 0.000 1.130 148 F CA 1.221 59.039 58.000 -0.304 0.000 1.189 148 F CB -1.886 36.756 39.000 -0.597 0.000 0.983 148 F HN -0.029 nan 8.300 nan 0.000 0.471 149 P HA -0.151 nan 4.420 nan 0.000 0.219 149 P C 2.083 179.330 177.300 -0.089 0.000 1.150 149 P CA 1.386 64.346 63.100 -0.233 0.000 0.814 149 P CB -0.223 31.416 31.700 -0.103 0.000 0.787 150 I N 0.156 120.703 120.570 -0.037 0.000 2.353 150 I HA -0.104 4.067 4.170 0.001 0.000 0.248 150 I C 2.483 178.643 176.117 0.071 0.000 1.119 150 I CA 1.078 62.401 61.300 0.038 0.000 1.417 150 I CB -0.584 37.428 38.000 0.019 0.000 1.078 150 I HN -0.261 nan 8.210 nan 0.000 0.421 151 R N 0.098 120.604 120.500 0.010 0.000 2.096 151 R HA -0.102 4.239 4.340 0.001 0.000 0.235 151 R C 2.310 178.604 176.300 -0.011 0.000 1.127 151 R CA 1.815 57.922 56.100 0.012 0.000 0.968 151 R CB -0.477 29.831 30.300 0.013 0.000 0.861 151 R HN 0.379 nan 8.270 nan 0.000 0.440 152 I N -0.003 120.524 120.570 -0.071 0.000 2.286 152 I HA -0.281 3.890 4.170 0.001 0.000 0.248 152 I C 2.192 178.303 176.117 -0.009 0.000 1.115 152 I CA 1.142 62.392 61.300 -0.082 0.000 1.392 152 I CB -0.242 37.635 38.000 -0.205 0.000 1.065 152 I HN 0.092 nan 8.210 nan 0.000 0.418 153 F N 1.485 121.386 119.950 -0.082 0.000 2.146 153 F HA -0.233 4.295 4.527 0.001 0.000 0.298 153 F C 2.456 178.245 175.800 -0.018 0.000 1.096 153 F CA 1.534 59.507 58.000 -0.044 0.000 1.275 153 F CB -0.141 38.837 39.000 -0.035 0.000 1.008 153 F HN -0.081 nan 8.300 nan 0.000 0.480 154 M N 0.161 119.726 119.600 -0.058 0.000 2.213 154 M HA -0.181 4.300 4.480 0.001 0.000 0.263 154 M C 2.308 178.494 176.300 -0.190 0.000 1.062 154 M CA 1.383 56.596 55.300 -0.145 0.000 1.105 154 M CB -1.522 31.088 32.600 0.017 0.000 1.385 154 M HN 0.295 nan 8.290 nan 0.000 0.417 155 L N 0.174 121.317 121.223 -0.133 0.000 2.056 155 L HA -0.193 4.148 4.340 0.001 0.000 0.207 155 L C 2.428 179.205 176.870 -0.156 0.000 1.078 155 L CA 0.820 55.593 54.840 -0.112 0.000 0.749 155 L CB -0.867 41.152 42.059 -0.066 0.000 0.901 155 L HN 0.317 nan 8.230 nan 0.000 0.433 156 L N -1.661 119.438 121.223 -0.206 0.000 2.217 156 L HA 0.077 4.417 4.340 0.001 0.000 0.211 156 L C 2.238 178.944 176.870 -0.273 0.000 1.107 156 L CA 1.760 56.484 54.840 -0.193 0.000 0.783 156 L CB -1.140 40.837 42.059 -0.137 0.000 0.919 156 L HN 0.013 nan 8.230 nan 0.000 0.442 157 A N -0.119 122.412 122.820 -0.482 0.000 2.275 157 A HA 0.489 4.810 4.320 0.001 0.000 0.212 157 A C 1.708 179.144 177.584 -0.246 0.000 1.201 157 A CA 0.326 52.089 52.037 -0.457 0.000 0.843 157 A CB -1.040 17.415 19.000 -0.909 0.000 0.873 157 A HN 0.859 nan 8.150 nan 0.000 0.492 158 G N -0.352 108.335 108.800 -0.189 0.000 2.295 158 G HA2 -0.217 3.744 3.960 0.001 0.000 0.287 158 G HA3 -0.217 3.744 3.960 0.001 0.000 0.287 158 G C -0.123 174.734 174.900 -0.073 0.000 1.055 158 G CA 0.615 45.652 45.100 -0.105 0.000 0.922 158 G HN 0.477 nan 8.290 nan 0.000 0.503 159 L N 0.548 121.728 121.223 -0.072 0.000 2.331 159 L HA 0.597 4.938 4.340 0.001 0.000 0.275 159 L C -1.616 175.270 176.870 0.027 0.000 1.022 159 L CA -2.474 52.372 54.840 0.009 0.000 0.812 159 L CB 1.989 44.091 42.059 0.071 0.000 1.257 159 L HN -0.011 nan 8.230 nan 0.000 0.435 160 P HA 0.149 nan 4.420 nan 0.000 0.279 160 P C -0.101 177.233 177.300 0.057 0.000 1.239 160 P CA -0.376 62.751 63.100 0.045 0.000 0.789 160 P CB 1.058 32.787 31.700 0.047 0.000 0.933 161 E N 1.224 121.448 120.200 0.039 0.000 2.130 161 E HA -0.222 4.128 4.350 0.001 0.000 0.196 161 E C 1.456 178.085 176.600 0.048 0.000 0.998 161 E CA 1.237 57.661 56.400 0.041 0.000 0.806 161 E CB 0.075 29.793 29.700 0.029 0.000 0.738 161 E HN 0.571 nan 8.360 nan 0.000 0.459 162 E N 0.841 121.069 120.200 0.047 0.000 2.409 162 E HA -0.175 4.176 4.350 0.001 0.000 0.198 162 E C 0.839 177.479 176.600 0.067 0.000 1.024 162 E CA 0.802 57.230 56.400 0.047 0.000 0.861 162 E CB -0.175 29.546 29.700 0.035 0.000 0.788 162 E HN 0.239 nan 8.360 nan 0.000 0.521 163 D N 0.621 121.078 120.400 0.095 0.000 2.363 163 D HA 0.089 4.730 4.640 0.001 0.000 0.220 163 D C 1.813 178.171 176.300 0.097 0.000 0.994 163 D CA 0.119 54.200 54.000 0.136 0.000 0.890 163 D CB -0.108 40.825 40.800 0.222 0.000 0.906 163 D HN 0.215 nan 8.370 nan 0.000 0.530 164 I N 1.454 122.068 120.570 0.073 0.000 2.163 164 I HA -0.197 3.973 4.170 0.001 0.000 0.243 164 I C -0.607 175.533 176.117 0.038 0.000 1.085 164 I CA 1.131 62.461 61.300 0.050 0.000 1.347 164 I CB -1.132 36.895 38.000 0.045 0.000 1.044 164 I HN 0.047 nan 8.210 nan 0.000 0.408 165 P HA -0.172 nan 4.420 nan 0.000 0.221 165 P C 1.335 178.687 177.300 0.088 0.000 1.150 165 P CA 1.627 64.760 63.100 0.054 0.000 0.800 165 P CB -0.161 31.566 31.700 0.045 0.000 0.787 166 H N -0.384 118.683 119.070 -0.006 0.000 2.395 166 H HA -0.034 4.523 4.556 0.001 0.000 0.299 166 H C 1.755 177.065 175.328 -0.029 0.000 1.070 166 H CA 1.043 57.093 56.048 0.003 0.000 1.356 166 H CB -0.777 28.974 29.762 -0.017 0.000 1.401 166 H HN -0.148 nan 8.280 nan 0.000 0.524 167 L N 0.984 122.086 121.223 -0.202 0.000 2.093 167 L HA -0.084 4.257 4.340 0.001 0.000 0.208 167 L C 2.367 179.108 176.870 -0.214 0.000 1.085 167 L CA 1.663 56.293 54.840 -0.349 0.000 0.755 167 L CB -0.806 41.091 42.059 -0.271 0.000 0.904 167 L HN 0.251 nan 8.230 nan 0.000 0.435 168 K N -1.404 118.936 120.400 -0.099 0.000 2.026 168 K HA -0.272 4.049 4.320 0.001 0.000 0.208 168 K C 2.308 178.879 176.600 -0.048 0.000 1.048 168 K CA 1.825 58.077 56.287 -0.058 0.000 0.929 168 K CB -0.508 31.985 32.500 -0.012 0.000 0.713 168 K HN 0.335 nan 8.250 nan 0.000 0.439 169 Y N 1.848 122.063 120.300 -0.142 0.000 2.114 169 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 169 Y C 1.955 177.754 175.900 -0.169 0.000 1.165 169 Y CA 1.801 59.823 58.100 -0.130 0.000 1.148 169 Y CB -0.397 38.001 38.460 -0.104 0.000 0.972 169 Y HN 0.024 nan 8.280 nan 0.000 0.504 170 L N -0.553 120.473 121.223 -0.329 0.000 2.056 170 L HA -0.183 4.157 4.340 0.001 0.000 0.207 170 L C 2.584 179.283 176.870 -0.285 0.000 1.078 170 L CA 1.864 56.471 54.840 -0.387 0.000 0.749 170 L CB -1.059 40.786 42.059 -0.356 0.000 0.901 170 L HN 0.391 nan 8.230 nan 0.000 0.433 171 T N -4.477 109.949 114.554 -0.214 0.000 2.904 171 T HA -0.126 4.225 4.350 0.001 0.000 0.267 171 T C 1.482 176.103 174.700 -0.132 0.000 1.059 171 T CA 0.964 62.977 62.100 -0.145 0.000 1.137 171 T CB -0.290 68.507 68.868 -0.118 0.000 0.879 171 T HN 0.131 nan 8.240 nan 0.000 0.467 172 D N 1.690 122.001 120.400 -0.149 0.000 2.144 172 D HA -0.082 4.559 4.640 0.001 0.000 0.199 172 D C 2.414 178.625 176.300 -0.150 0.000 0.984 172 D CA 1.021 54.948 54.000 -0.122 0.000 0.834 172 D CB -0.340 40.399 40.800 -0.102 0.000 0.955 172 D HN 0.544 nan 8.370 nan 0.000 0.465 173 Q N -0.554 119.095 119.800 -0.251 0.000 2.181 173 Q HA -0.152 4.189 4.340 0.001 0.000 0.205 173 Q C 2.102 178.008 176.000 -0.156 0.000 0.980 173 Q CA 0.947 56.599 55.803 -0.251 0.000 0.862 173 Q CB -0.078 28.439 28.738 -0.368 0.000 0.905 173 Q HN 0.361 nan 8.270 nan 0.000 0.429 174 M N -0.232 119.289 119.600 -0.133 0.000 2.216 174 M HA -0.089 4.392 4.480 0.001 0.000 0.264 174 M C 1.892 178.209 176.300 0.027 0.000 1.080 174 M CA 1.715 56.978 55.300 -0.061 0.000 1.153 174 M CB 0.354 32.915 32.600 -0.065 0.000 1.356 174 M HN 0.159 nan 8.290 nan 0.000 0.432 175 T N -2.681 111.872 114.554 -0.002 0.000 3.001 175 T HA 0.188 4.539 4.350 0.001 0.000 0.251 175 T C 1.031 175.727 174.700 -0.007 0.000 1.040 175 T CA -0.287 61.821 62.100 0.012 0.000 0.985 175 T CB -0.104 68.771 68.868 0.012 0.000 1.011 175 T HN 0.484 nan 8.240 nan 0.000 0.509 176 R N 1.792 122.277 120.500 -0.025 0.000 2.886 176 R HA 0.445 4.786 4.340 0.001 0.000 0.306 176 R C -2.990 173.290 176.300 -0.033 0.000 1.300 176 R CA -1.357 54.728 56.100 -0.024 0.000 1.441 176 R CB 0.334 30.616 30.300 -0.028 0.000 1.328 176 R HN 0.206 nan 8.270 nan 0.000 0.629 177 P HA 0.222 nan 4.420 nan 0.000 0.279 177 P C -0.822 176.454 177.300 -0.040 0.000 1.252 177 P CA -0.340 62.734 63.100 -0.042 0.000 0.811 177 P CB 1.093 32.769 31.700 -0.039 0.000 1.035 178 D N -1.127 119.249 120.400 -0.041 0.000 2.540 178 D HA 0.213 4.854 4.640 0.001 0.000 0.229 178 D C 1.135 177.414 176.300 -0.035 0.000 1.250 178 D CA -0.119 53.861 54.000 -0.033 0.000 0.817 178 D CB -0.432 40.354 40.800 -0.023 0.000 1.060 178 D HN 0.582 nan 8.370 nan 0.000 0.508 179 G N 0.686 109.461 108.800 -0.041 0.000 2.159 179 G HA2 -0.373 3.588 3.960 0.001 0.000 0.256 179 G HA3 -0.373 3.588 3.960 0.001 0.000 0.256 179 G C 1.241 176.125 174.900 -0.027 0.000 0.977 179 G CA 0.899 45.976 45.100 -0.039 0.000 0.652 179 G HN 0.716 nan 8.290 nan 0.000 0.531 180 S N -0.516 115.169 115.700 -0.026 0.000 2.395 180 S HA 0.369 4.840 4.470 0.001 0.000 0.225 180 S C 1.302 175.890 174.600 -0.020 0.000 1.027 180 S CA 1.396 59.585 58.200 -0.018 0.000 0.965 180 S CB -0.242 62.949 63.200 -0.014 0.000 0.812 180 S HN 1.189 nan 8.310 nan 0.000 0.482 181 M N 0.990 120.573 119.600 -0.030 0.000 2.658 181 M HA 0.589 5.070 4.480 0.001 0.000 0.295 181 M C -0.337 175.950 176.300 -0.022 0.000 1.248 181 M CA -0.942 54.340 55.300 -0.030 0.000 0.843 181 M CB 1.609 34.180 32.600 -0.049 0.000 1.749 181 M HN 0.086 nan 8.290 nan 0.000 0.464 182 T N -1.816 112.730 114.554 -0.013 0.000 2.824 182 T HA 0.341 4.692 4.350 0.001 0.000 0.277 182 T C 0.564 175.283 174.700 0.031 0.000 0.975 182 T CA -0.499 61.613 62.100 0.021 0.000 0.966 182 T CB 1.055 69.943 68.868 0.033 0.000 1.054 182 T HN 0.672 nan 8.240 nan 0.000 0.533 183 F N 1.316 121.242 119.950 -0.040 0.000 2.134 183 F HA 0.041 4.569 4.527 0.002 0.000 0.299 183 F C 2.603 178.380 175.800 -0.039 0.000 1.097 183 F CA 1.804 59.781 58.000 -0.039 0.000 1.264 183 F CB -0.884 38.109 39.000 -0.013 0.000 1.001 183 F HN 0.735 nan 8.300 nan 0.000 0.479 184 A N 0.318 123.122 122.820 -0.027 0.000 1.917 184 A HA -0.268 4.052 4.320 0.001 0.000 0.219 184 A C 2.038 179.522 177.584 -0.168 0.000 1.182 184 A CA 2.197 54.173 52.037 -0.102 0.000 0.633 184 A CB -0.913 18.108 19.000 0.036 0.000 0.819 184 A HN 0.634 nan 8.150 nan 0.000 0.448 185 E N -0.382 119.745 120.200 -0.121 0.000 2.107 185 E HA 0.030 4.380 4.350 0.001 0.000 0.191 185 E C 2.263 178.764 176.600 -0.165 0.000 0.982 185 E CA 0.788 57.127 56.400 -0.103 0.000 0.809 185 E CB -0.281 29.385 29.700 -0.057 0.000 0.756 185 E HN 0.609 nan 8.360 nan 0.000 0.459 186 A N 1.869 124.548 122.820 -0.234 0.000 1.969 186 A HA -0.188 4.132 4.320 0.001 0.000 0.218 186 A C 2.087 179.457 177.584 -0.357 0.000 1.169 186 A CA 1.374 53.252 52.037 -0.266 0.000 0.635 186 A CB -0.321 18.526 19.000 -0.254 0.000 0.810 186 A HN 0.062 nan 8.150 nan 0.000 0.445 187 K N -0.488 119.581 120.400 -0.552 0.000 2.057 187 K HA -0.159 4.162 4.320 0.001 0.000 0.206 187 K C 1.728 178.033 176.600 -0.492 0.000 1.050 187 K CA 1.406 57.304 56.287 -0.649 0.000 0.935 187 K CB -0.093 31.871 32.500 -0.893 0.000 0.715 187 K HN 0.292 nan 8.250 nan 0.000 0.439 188 E N 0.433 120.476 120.200 -0.262 0.000 2.106 188 E HA -0.133 4.218 4.350 0.001 0.000 0.192 188 E C 1.853 178.458 176.600 0.007 0.000 0.984 188 E CA 1.105 57.479 56.400 -0.042 0.000 0.806 188 E CB -0.190 29.519 29.700 0.015 0.000 0.750 188 E HN 0.430 nan 8.360 nan 0.000 0.458 189 A N 0.942 123.730 122.820 -0.053 0.000 1.930 189 A HA -0.145 4.176 4.320 0.001 0.000 0.217 189 A C 2.229 179.832 177.584 0.032 0.000 1.175 189 A CA 1.119 53.158 52.037 0.003 0.000 0.627 189 A CB -0.510 18.467 19.000 -0.038 0.000 0.815 189 A HN 0.252 nan 8.150 nan 0.000 0.443 190 L N -1.587 119.606 121.223 -0.050 0.000 2.046 190 L HA -0.118 4.223 4.340 0.001 0.000 0.208 190 L C 2.234 179.214 176.870 0.184 0.000 1.077 190 L CA 1.805 56.648 54.840 0.006 0.000 0.747 190 L CB -0.763 41.242 42.059 -0.089 0.000 0.896 190 L HN 0.448 nan 8.230 nan 0.000 0.432 191 Y N 0.118 120.469 120.300 0.084 0.000 2.274 191 Y HA -0.201 4.350 4.550 0.001 0.000 0.290 191 Y C 2.452 178.402 175.900 0.084 0.000 1.145 191 Y CA 0.984 59.131 58.100 0.080 0.000 1.203 191 Y CB -0.999 37.496 38.460 0.059 0.000 0.984 191 Y HN 0.309 nan 8.280 nan 0.000 0.533 192 D N -1.314 119.237 120.400 0.252 0.000 2.182 192 D HA -0.226 4.415 4.640 0.001 0.000 0.201 192 D C 2.026 178.446 176.300 0.201 0.000 0.986 192 D CA 1.217 55.328 54.000 0.185 0.000 0.847 192 D CB -0.587 40.311 40.800 0.164 0.000 0.942 192 D HN 0.432 nan 8.370 nan 0.000 0.467 193 Y N 0.892 121.275 120.300 0.139 0.000 2.220 193 Y HA -0.044 4.506 4.550 0.001 0.000 0.291 193 Y C 2.063 178.035 175.900 0.120 0.000 1.129 193 Y CA 1.176 59.365 58.100 0.148 0.000 1.161 193 Y CB -0.274 38.282 38.460 0.161 0.000 0.997 193 Y HN -0.107 nan 8.280 nan 0.000 0.522 194 L N -0.438 120.858 121.223 0.122 0.000 2.156 194 L HA -0.139 4.201 4.340 0.001 0.000 0.208 194 L C 2.333 179.178 176.870 -0.042 0.000 1.095 194 L CA 0.858 55.704 54.840 0.010 0.000 0.770 194 L CB -0.423 41.727 42.059 0.151 0.000 0.914 194 L HN 0.254 nan 8.230 nan 0.000 0.439 195 I N 0.181 120.750 120.570 -0.002 0.000 2.208 195 I HA -0.218 3.952 4.170 0.001 0.000 0.245 195 I C -0.351 175.736 176.117 -0.049 0.000 1.097 195 I CA 1.503 62.787 61.300 -0.027 0.000 1.363 195 I CB -1.200 36.796 38.000 -0.006 0.000 1.051 195 I HN 0.225 nan 8.210 nan 0.000 0.413 196 P HA -0.101 nan 4.420 nan 0.000 0.219 196 P C 1.762 179.009 177.300 -0.087 0.000 1.150 196 P CA 1.401 64.460 63.100 -0.069 0.000 0.814 196 P CB 0.005 31.662 31.700 -0.072 0.000 0.787 197 I N -1.224 119.268 120.570 -0.130 0.000 2.202 197 I HA -0.194 3.976 4.170 0.001 0.000 0.242 197 I C 2.255 178.329 176.117 -0.072 0.000 1.091 197 I CA 1.308 62.536 61.300 -0.120 0.000 1.368 197 I CB -0.576 37.319 38.000 -0.175 0.000 1.058 197 I HN -0.152 nan 8.210 nan 0.000 0.410 198 I N 0.692 121.225 120.570 -0.061 0.000 2.286 198 I HA -0.306 3.864 4.170 0.001 0.000 0.248 198 I C 2.665 178.759 176.117 -0.038 0.000 1.115 198 I CA 1.467 62.742 61.300 -0.041 0.000 1.392 198 I CB -0.407 37.570 38.000 -0.038 0.000 1.065 198 I HN 0.326 nan 8.210 nan 0.000 0.418 199 E N 0.933 121.108 120.200 -0.041 0.000 2.058 199 E HA -0.308 4.043 4.350 0.001 0.000 0.194 199 E C 2.167 178.748 176.600 -0.031 0.000 0.997 199 E CA 1.578 57.958 56.400 -0.033 0.000 0.801 199 E CB -0.012 29.669 29.700 -0.032 0.000 0.746 199 E HN 0.546 nan 8.360 nan 0.000 0.450 200 Q N -0.158 119.620 119.800 -0.037 0.000 2.084 200 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 200 Q C 2.179 178.161 176.000 -0.031 0.000 0.978 200 Q CA 1.565 57.347 55.803 -0.034 0.000 0.844 200 Q CB -0.006 28.707 28.738 -0.041 0.000 0.898 200 Q HN 0.184 nan 8.270 nan 0.000 0.426 201 R N -0.177 120.303 120.500 -0.033 0.000 2.299 201 R HA 0.086 4.426 4.340 0.001 0.000 0.197 201 R C 1.866 178.151 176.300 -0.025 0.000 0.971 201 R CA 0.213 56.295 56.100 -0.029 0.000 1.030 201 R CB 0.167 30.448 30.300 -0.031 0.000 0.932 201 R HN 0.123 nan 8.270 nan 0.000 0.477 202 R N 0.285 120.770 120.500 -0.024 0.000 2.161 202 R HA -0.051 4.290 4.340 0.001 0.000 0.213 202 R C 2.202 178.490 176.300 -0.019 0.000 1.055 202 R CA 0.859 56.946 56.100 -0.020 0.000 0.996 202 R CB 0.079 30.367 30.300 -0.020 0.000 0.901 202 R HN 0.218 nan 8.270 nan 0.000 0.456 203 Q N 1.109 120.897 119.800 -0.020 0.000 2.123 203 Q HA -0.037 4.304 4.340 0.001 0.000 0.196 203 Q C -0.057 175.932 176.000 -0.018 0.000 0.958 203 Q CA 1.118 56.910 55.803 -0.018 0.000 0.841 203 Q CB 0.536 29.263 28.738 -0.018 0.000 0.915 203 Q HN 0.052 nan 8.270 nan 0.000 0.455 204 K N 2.224 122.612 120.400 -0.020 0.000 2.762 204 K HA 0.377 4.698 4.320 0.001 0.000 0.180 204 K C -2.563 174.024 176.600 -0.021 0.000 1.067 204 K CA -1.726 54.550 56.287 -0.019 0.000 0.973 204 K CB 1.679 34.167 32.500 -0.019 0.000 1.290 204 K HN 0.178 nan 8.250 nan 0.000 0.604 205 P HA 0.012 nan 4.420 nan 0.000 0.269 205 P C 0.149 177.435 177.300 -0.023 0.000 1.209 205 P CA 0.052 63.139 63.100 -0.022 0.000 0.776 205 P CB 1.171 32.859 31.700 -0.021 0.000 0.876 206 G N 0.307 109.092 108.800 -0.025 0.000 3.039 206 G HA2 0.475 4.436 3.960 0.001 0.000 0.159 206 G HA3 0.475 4.436 3.960 0.001 0.000 0.159 206 G C 0.158 175.042 174.900 -0.027 0.000 1.284 206 G CA -0.092 44.993 45.100 -0.026 0.000 0.996 206 G HN 0.486 nan 8.290 nan 0.000 0.592 207 T N -1.299 113.237 114.554 -0.030 0.000 3.182 207 T HA 0.228 4.579 4.350 0.001 0.000 0.277 207 T C 0.248 174.925 174.700 -0.037 0.000 1.013 207 T CA 0.231 62.313 62.100 -0.030 0.000 0.900 207 T CB -0.314 68.538 68.868 -0.027 0.000 1.098 207 T HN 0.564 nan 8.240 nan 0.000 0.543 208 D N 0.819 121.192 120.400 -0.046 0.000 2.411 208 D HA 0.361 5.002 4.640 0.001 0.000 0.251 208 D C 1.423 177.688 176.300 -0.059 0.000 1.201 208 D CA -0.270 53.692 54.000 -0.063 0.000 0.996 208 D CB 1.383 42.136 40.800 -0.078 0.000 1.101 208 D HN 0.102 nan 8.370 nan 0.000 0.504 209 A N 0.477 123.250 122.820 -0.079 0.000 1.972 209 A HA -0.096 4.225 4.320 0.001 0.000 0.219 209 A C 2.351 179.918 177.584 -0.028 0.000 1.169 209 A CA 0.864 52.871 52.037 -0.050 0.000 0.635 209 A CB -0.699 18.266 19.000 -0.059 0.000 0.810 209 A HN 0.638 nan 8.150 nan 0.000 0.446 210 I N -0.550 119.995 120.570 -0.041 0.000 2.353 210 I HA -0.170 4.000 4.170 0.001 0.000 0.248 210 I C 2.557 178.665 176.117 -0.016 0.000 1.119 210 I CA 1.210 62.502 61.300 -0.014 0.000 1.417 210 I CB -0.325 37.666 38.000 -0.015 0.000 1.078 210 I HN 0.211 nan 8.210 nan 0.000 0.421 211 S N 1.091 116.775 115.700 -0.027 0.000 2.368 211 S HA -0.119 4.352 4.470 0.001 0.000 0.225 211 S C 2.007 176.596 174.600 -0.019 0.000 1.030 211 S CA 1.303 59.489 58.200 -0.024 0.000 0.999 211 S CB -0.271 62.912 63.200 -0.028 0.000 0.844 211 S HN 0.330 nan 8.310 nan 0.000 0.459 212 I N 0.819 121.378 120.570 -0.019 0.000 2.202 212 I HA -0.125 4.045 4.170 0.001 0.000 0.242 212 I C 2.207 178.319 176.117 -0.008 0.000 1.091 212 I CA 0.856 62.146 61.300 -0.015 0.000 1.368 212 I CB -0.462 37.529 38.000 -0.016 0.000 1.058 212 I HN 0.138 nan 8.210 nan 0.000 0.410 213 V N 1.080 120.995 119.914 0.002 0.000 2.295 213 V HA -0.272 3.848 4.120 0.001 0.000 0.246 213 V C 2.650 178.751 176.094 0.012 0.000 1.049 213 V CA 2.051 64.360 62.300 0.016 0.000 1.024 213 V CB -0.881 30.961 31.823 0.032 0.000 0.648 213 V HN 0.501 nan 8.190 nan 0.000 0.447 214 A N -0.096 122.726 122.820 0.003 0.000 2.121 214 A HA -0.161 4.160 4.320 0.001 0.000 0.218 214 A C 1.676 179.256 177.584 -0.007 0.000 1.154 214 A CA 1.891 53.928 52.037 -0.001 0.000 0.679 214 A CB -0.595 18.399 19.000 -0.010 0.000 0.795 214 A HN 0.693 nan 8.150 nan 0.000 0.458 215 N N -0.825 117.868 118.700 -0.011 0.000 2.204 215 N HA 0.289 5.029 4.740 0.001 0.000 0.219 215 N C 0.700 176.196 175.510 -0.022 0.000 1.151 215 N CA 0.333 53.373 53.050 -0.017 0.000 0.867 215 N CB 0.711 39.187 38.487 -0.019 0.000 1.043 215 N HN 0.393 nan 8.380 nan 0.000 0.516 216 G N -0.213 108.574 108.800 -0.023 0.000 2.616 216 G HA2 0.224 4.185 3.960 0.001 0.000 0.268 216 G HA3 0.224 4.185 3.960 0.001 0.000 0.268 216 G C -0.345 174.521 174.900 -0.057 0.000 1.213 216 G CA -0.317 44.759 45.100 -0.039 0.000 0.926 216 G HN 0.017 nan 8.290 nan 0.000 0.523 217 Q N -0.768 118.985 119.800 -0.079 0.000 2.312 217 Q HA 0.516 4.856 4.340 0.001 0.000 0.263 217 Q C -0.574 175.326 176.000 -0.167 0.000 0.995 217 Q CA -0.692 55.051 55.803 -0.099 0.000 0.853 217 Q CB 2.294 30.985 28.738 -0.079 0.000 1.300 217 Q HN 0.547 nan 8.270 nan 0.000 0.448 218 V N -0.917 118.869 119.914 -0.214 0.000 2.808 218 V HA 0.416 4.537 4.120 0.001 0.000 0.308 218 V C 0.001 175.945 176.094 -0.251 0.000 1.099 218 V CA -1.210 60.877 62.300 -0.354 0.000 0.920 218 V CB 1.836 33.204 31.823 -0.759 0.000 1.014 218 V HN 0.867 nan 8.190 nan 0.000 0.425 219 N N 2.757 121.324 118.700 -0.222 0.000 2.701 219 N HA -0.260 4.481 4.740 0.001 0.000 0.257 219 N C 1.250 176.709 175.510 -0.085 0.000 0.969 219 N CA 1.650 54.624 53.050 -0.127 0.000 0.786 219 N CB -1.037 37.394 38.487 -0.093 0.000 0.917 219 N HN 2.099 nan 8.380 nan 0.000 0.541 220 G N -1.304 107.444 108.800 -0.087 0.000 2.176 220 G HA2 -0.327 3.634 3.960 0.001 0.000 0.232 220 G HA3 -0.327 3.634 3.960 0.001 0.000 0.232 220 G C 0.138 175.006 174.900 -0.053 0.000 0.986 220 G CA 0.631 45.695 45.100 -0.060 0.000 0.643 220 G HN 0.847 nan 8.290 nan 0.000 0.522 221 R N -1.010 119.451 120.500 -0.064 0.000 2.869 221 R HA 0.810 5.150 4.340 0.001 0.000 0.263 221 R C -3.369 172.898 176.300 -0.054 0.000 1.066 221 R CA -2.346 53.726 56.100 -0.047 0.000 0.960 221 R CB -0.092 30.190 30.300 -0.030 0.000 1.221 221 R HN 0.076 nan 8.270 nan 0.000 0.474 222 P HA 0.179 nan 4.420 nan 0.000 0.275 222 P C -0.328 176.958 177.300 -0.022 0.000 1.228 222 P CA -0.470 62.610 63.100 -0.034 0.000 0.786 222 P CB 0.556 32.242 31.700 -0.022 0.000 0.927 223 I N 2.047 122.604 120.570 -0.021 0.000 2.813 223 I HA 0.045 4.216 4.170 0.001 0.000 0.287 223 I C 0.791 176.928 176.117 0.033 0.000 1.196 223 I CA 0.265 61.579 61.300 0.023 0.000 1.421 223 I CB 0.683 38.707 38.000 0.041 0.000 1.365 223 I HN 0.437 nan 8.210 nan 0.000 0.591 224 T N 2.291 116.880 114.554 0.058 0.000 2.847 224 T HA 0.192 4.543 4.350 0.001 0.000 0.279 224 T C 1.095 175.801 174.700 0.010 0.000 0.984 224 T CA -0.397 61.719 62.100 0.026 0.000 0.988 224 T CB 1.497 70.379 68.868 0.024 0.000 1.040 224 T HN 0.654 nan 8.240 nan 0.000 0.528 225 S N 0.171 115.864 115.700 -0.010 0.000 2.383 225 S HA -0.138 4.333 4.470 0.001 0.000 0.229 225 S C 1.651 176.219 174.600 -0.054 0.000 1.030 225 S CA 1.698 59.881 58.200 -0.029 0.000 1.002 225 S CB -0.652 62.527 63.200 -0.034 0.000 0.829 225 S HN 0.928 nan 8.310 nan 0.000 0.467 226 D N 0.601 120.966 120.400 -0.058 0.000 2.149 226 D HA -0.058 4.583 4.640 0.001 0.000 0.201 226 D C 1.992 178.224 176.300 -0.113 0.000 0.972 226 D CA 0.965 54.901 54.000 -0.105 0.000 0.835 226 D CB 0.006 40.755 40.800 -0.086 0.000 0.966 226 D HN 0.432 nan 8.370 nan 0.000 0.476 227 E N -0.173 119.998 120.200 -0.048 0.000 2.047 227 E HA -0.128 4.223 4.350 0.001 0.000 0.191 227 E C 2.100 178.698 176.600 -0.004 0.000 0.987 227 E CA 0.943 57.333 56.400 -0.017 0.000 0.799 227 E CB -0.117 29.664 29.700 0.135 0.000 0.752 227 E HN 0.303 nan 8.360 nan 0.000 0.449 228 A N 1.806 124.630 122.820 0.007 0.000 1.877 228 A HA -0.263 4.058 4.320 0.001 0.000 0.216 228 A C 2.076 179.635 177.584 -0.041 0.000 1.186 228 A CA 1.782 53.821 52.037 0.003 0.000 0.620 228 A CB -0.468 18.532 19.000 -0.000 0.000 0.822 228 A HN 0.098 nan 8.150 nan 0.000 0.443 229 K N -0.316 120.025 120.400 -0.099 0.000 2.032 229 K HA -0.193 4.128 4.320 0.001 0.000 0.209 229 K C 2.193 178.695 176.600 -0.164 0.000 1.048 229 K CA 1.668 57.858 56.287 -0.162 0.000 0.927 229 K CB -0.217 32.098 32.500 -0.308 0.000 0.712 229 K HN 0.443 nan 8.250 nan 0.000 0.441 230 R N -0.144 120.247 120.500 -0.181 0.000 2.148 230 R HA -0.017 4.324 4.340 0.001 0.000 0.227 230 R C 2.408 178.649 176.300 -0.099 0.000 1.103 230 R CA 1.553 57.619 56.100 -0.057 0.000 0.983 230 R CB -0.112 30.152 30.300 -0.060 0.000 0.874 230 R HN 0.313 nan 8.270 nan 0.000 0.451 231 M N -0.767 118.784 119.600 -0.082 0.000 2.193 231 M HA -0.129 4.351 4.480 0.001 0.000 0.265 231 M C 2.274 178.524 176.300 -0.084 0.000 1.071 231 M CA 1.131 56.398 55.300 -0.054 0.000 1.140 231 M CB -0.074 32.544 32.600 0.030 0.000 1.369 231 M HN 0.237 nan 8.290 nan 0.000 0.423 232 C N 0.393 119.660 119.300 -0.054 0.000 2.435 232 C HA -0.046 4.415 4.460 0.001 0.000 0.279 232 C C 2.825 177.752 174.990 -0.106 0.000 1.321 232 C CA 1.032 60.048 59.018 -0.004 0.000 1.752 232 C CB -1.718 26.054 27.740 0.054 0.000 1.959 232 C HN 0.747 nan 8.230 nan 0.000 0.500 233 G N 0.271 108.906 108.800 -0.274 0.000 2.422 233 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 233 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 233 G C 1.512 175.897 174.900 -0.859 0.000 1.146 233 G CA 0.828 45.578 45.100 -0.584 0.000 0.769 233 G HN 0.472 nan 8.290 nan 0.000 0.547 234 L N 0.440 121.150 121.223 -0.855 0.000 2.072 234 L HA 0.196 4.537 4.340 0.001 0.000 0.205 234 L C 2.631 179.431 176.870 -0.116 0.000 1.079 234 L CA 1.223 55.863 54.840 -0.332 0.000 0.752 234 L CB -0.415 41.601 42.059 -0.073 0.000 0.906 234 L HN 0.184 nan 8.230 nan 0.000 0.436 235 L N -1.087 120.086 121.223 -0.083 0.000 2.131 235 L HA -0.236 4.105 4.340 0.001 0.000 0.210 235 L C 2.509 179.298 176.870 -0.136 0.000 1.092 235 L CA 1.031 55.887 54.840 0.025 0.000 0.759 235 L CB -0.588 41.571 42.059 0.167 0.000 0.903 235 L HN 0.386 nan 8.230 nan 0.000 0.435 236 L N 0.132 121.133 121.223 -0.370 0.000 2.023 236 L HA -0.133 4.208 4.340 0.001 0.000 0.205 236 L C 2.517 179.063 176.870 -0.540 0.000 1.073 236 L CA 1.837 56.094 54.840 -0.971 0.000 0.745 236 L CB -0.049 41.608 42.059 -0.670 0.000 0.900 236 L HN 0.264 nan 8.230 nan 0.000 0.435 237 V N -3.426 116.349 119.914 -0.232 0.000 2.951 237 V HA 0.109 4.230 4.120 0.001 0.000 0.255 237 V C 2.377 178.470 176.094 -0.002 0.000 1.088 237 V CA 1.039 63.300 62.300 -0.065 0.000 1.109 237 V CB -1.271 30.631 31.823 0.130 0.000 0.724 237 V HN 0.408 nan 8.190 nan 0.000 0.471 238 G N 1.228 110.035 108.800 0.011 0.000 2.442 238 G HA2 -0.057 3.904 3.960 0.001 0.000 0.219 238 G HA3 -0.057 3.904 3.960 0.001 0.000 0.219 238 G C 1.317 176.244 174.900 0.044 0.000 1.141 238 G CA 0.840 45.980 45.100 0.065 0.000 0.763 238 G HN 0.852 nan 8.290 nan 0.000 0.554 239 G N -0.600 108.201 108.800 0.002 0.000 3.605 239 G HA2 0.461 4.422 3.960 0.001 0.000 0.277 239 G HA3 0.461 4.422 3.960 0.001 0.000 0.277 239 G C 1.098 175.994 174.900 -0.007 0.000 1.093 239 G CA -0.294 44.816 45.100 0.017 0.000 0.821 239 G HN 0.343 nan 8.290 nan 0.000 0.532 240 L N -0.779 120.426 121.223 -0.029 0.000 2.428 240 L HA 0.204 4.545 4.340 0.001 0.000 0.190 240 L C 2.017 178.889 176.870 0.002 0.000 1.255 240 L CA 0.304 55.123 54.840 -0.035 0.000 0.848 240 L CB -0.273 41.740 42.059 -0.077 0.000 1.088 240 L HN -0.059 nan 8.230 nan 0.000 0.500 241 D N 0.096 120.500 120.400 0.006 0.000 2.178 241 D HA -0.143 4.498 4.640 0.001 0.000 0.201 241 D C 2.131 178.456 176.300 0.042 0.000 0.980 241 D CA 1.764 55.772 54.000 0.014 0.000 0.842 241 D CB -0.182 40.622 40.800 0.007 0.000 0.948 241 D HN 0.424 nan 8.370 nan 0.000 0.472 242 T N -1.264 113.324 114.554 0.057 0.000 2.665 242 T HA -0.158 4.193 4.350 0.001 0.000 0.268 242 T C 2.183 176.972 174.700 0.148 0.000 1.035 242 T CA 1.381 63.533 62.100 0.087 0.000 1.151 242 T CB -0.821 68.091 68.868 0.074 0.000 0.862 242 T HN -0.005 nan 8.240 nan 0.000 0.438 243 V N 1.135 121.132 119.914 0.138 0.000 2.379 243 V HA -0.075 4.045 4.120 0.001 0.000 0.245 243 V C 2.958 179.171 176.094 0.198 0.000 1.044 243 V CA 1.047 63.469 62.300 0.203 0.000 1.036 243 V CB -0.625 31.291 31.823 0.155 0.000 0.664 243 V HN 0.374 nan 8.190 nan 0.000 0.453 244 V N 1.050 121.028 119.914 0.107 0.000 2.255 244 V HA -0.270 3.850 4.120 0.001 0.000 0.247 244 V C 2.316 178.430 176.094 0.034 0.000 1.051 244 V CA 2.412 64.748 62.300 0.060 0.000 1.018 244 V CB -0.809 31.016 31.823 0.003 0.000 0.641 244 V HN 0.576 nan 8.190 nan 0.000 0.445 245 N N -0.625 118.081 118.700 0.011 0.000 2.216 245 N HA -0.090 4.651 4.740 0.001 0.000 0.183 245 N C 1.597 177.049 175.510 -0.096 0.000 1.017 245 N CA 1.182 54.152 53.050 -0.134 0.000 0.861 245 N CB -0.480 37.947 38.487 -0.100 0.000 0.986 245 N HN 0.521 nan 8.380 nan 0.000 0.428 246 F N 1.840 121.824 119.950 0.056 0.000 2.113 246 F HA 0.011 4.539 4.527 0.001 0.000 0.297 246 F C 1.959 177.829 175.800 0.118 0.000 1.103 246 F CA 0.980 59.077 58.000 0.162 0.000 1.248 246 F CB -0.339 38.729 39.000 0.114 0.000 0.999 246 F HN -0.088 nan 8.300 nan 0.000 0.475 247 L N -0.583 120.661 121.223 0.035 0.000 2.079 247 L HA -0.254 4.086 4.340 0.001 0.000 0.210 247 L C 2.506 179.327 176.870 -0.082 0.000 1.081 247 L CA 1.497 56.351 54.840 0.022 0.000 0.752 247 L CB -0.941 41.335 42.059 0.361 0.000 0.896 247 L HN 0.117 nan 8.230 nan 0.000 0.433 248 S N -0.524 115.146 115.700 -0.050 0.000 2.368 248 S HA -0.104 4.367 4.470 0.001 0.000 0.224 248 S C 1.758 176.144 174.600 -0.357 0.000 1.029 248 S CA 1.089 59.210 58.200 -0.130 0.000 0.988 248 S CB -0.290 62.815 63.200 -0.159 0.000 0.838 248 S HN 0.212 nan 8.310 nan 0.000 0.462 249 F N 2.205 121.922 119.950 -0.388 0.000 2.134 249 F HA -0.089 4.439 4.527 0.001 0.000 0.299 249 F C 2.780 178.060 175.800 -0.866 0.000 1.097 249 F CA 0.815 58.439 58.000 -0.626 0.000 1.264 249 F CB -1.053 37.564 39.000 -0.639 0.000 1.001 249 F HN 0.099 nan 8.300 nan 0.000 0.479 250 S N -0.444 114.889 115.700 -0.612 0.000 2.368 250 S HA -0.172 4.299 4.470 0.001 0.000 0.225 250 S C 2.114 176.520 174.600 -0.323 0.000 1.030 250 S CA 1.181 59.084 58.200 -0.494 0.000 0.999 250 S CB -0.220 62.671 63.200 -0.516 0.000 0.844 250 S HN 0.196 nan 8.310 nan 0.000 0.459 251 M N 1.056 120.371 119.600 -0.474 0.000 2.254 251 M HA 0.017 4.498 4.480 0.001 0.000 0.265 251 M C 2.181 178.289 176.300 -0.320 0.000 1.066 251 M CA 1.006 55.962 55.300 -0.574 0.000 1.123 251 M CB -1.132 30.656 32.600 -1.354 0.000 1.388 251 M HN 0.432 nan 8.290 nan 0.000 0.425 252 E N 0.096 120.132 120.200 -0.274 0.000 2.085 252 E HA -0.244 4.107 4.350 0.001 0.000 0.194 252 E C 1.961 178.506 176.600 -0.092 0.000 0.994 252 E CA 1.305 57.626 56.400 -0.131 0.000 0.801 252 E CB -0.179 29.483 29.700 -0.064 0.000 0.743 252 E HN 0.367 nan 8.360 nan 0.000 0.453 253 F N 1.273 121.060 119.950 -0.273 0.000 2.102 253 F HA -0.147 4.381 4.527 0.002 0.000 0.298 253 F C 1.957 177.683 175.800 -0.123 0.000 1.105 253 F CA 1.376 59.267 58.000 -0.183 0.000 1.239 253 F CB -0.229 38.644 39.000 -0.212 0.000 0.991 253 F HN -0.003 nan 8.300 nan 0.000 0.474 254 L N -0.095 121.016 121.223 -0.187 0.000 2.141 254 L HA -0.143 4.197 4.340 0.001 0.000 0.209 254 L C 2.753 179.389 176.870 -0.389 0.000 1.094 254 L CA 0.994 55.681 54.840 -0.256 0.000 0.763 254 L CB -1.116 40.959 42.059 0.027 0.000 0.908 254 L HN 0.265 nan 8.230 nan 0.000 0.437 255 A N 0.079 122.760 122.820 -0.232 0.000 2.019 255 A HA -0.182 4.139 4.320 0.001 0.000 0.219 255 A C 2.166 179.591 177.584 -0.265 0.000 1.164 255 A CA 1.441 53.321 52.037 -0.261 0.000 0.644 255 A CB -0.228 18.810 19.000 0.062 0.000 0.805 255 A HN 0.356 nan 8.150 nan 0.000 0.449 256 K N -0.153 120.084 120.400 -0.271 0.000 2.404 256 K HA 0.143 4.464 4.320 0.001 0.000 0.194 256 K C -0.373 176.041 176.600 -0.310 0.000 1.023 256 K CA 0.353 56.500 56.287 -0.234 0.000 1.094 256 K CB 0.436 32.838 32.500 -0.164 0.000 0.841 256 K HN 0.296 nan 8.250 nan 0.000 0.523 257 S N 1.772 117.205 115.700 -0.444 0.000 2.158 257 S HA 0.203 4.674 4.470 0.001 0.000 0.160 257 S C -2.328 172.128 174.600 -0.241 0.000 1.693 257 S CA -1.028 56.940 58.200 -0.386 0.000 1.251 257 S CB 1.305 64.056 63.200 -0.748 0.000 1.153 257 S HN -0.053 nan 8.310 nan 0.000 0.439 258 P HA -0.158 nan 4.420 nan 0.000 0.217 258 P C 0.931 178.179 177.300 -0.086 0.000 1.148 258 P CA 1.313 64.320 63.100 -0.154 0.000 0.828 258 P CB 0.152 31.781 31.700 -0.119 0.000 0.783 259 E N -1.599 118.566 120.200 -0.059 0.000 2.106 259 E HA -0.182 4.168 4.350 0.001 0.000 0.192 259 E C 1.812 178.353 176.600 -0.098 0.000 0.984 259 E CA 1.243 57.599 56.400 -0.073 0.000 0.806 259 E CB -1.224 28.423 29.700 -0.089 0.000 0.750 259 E HN 0.467 nan 8.360 nan 0.000 0.458 260 H N 0.101 119.115 119.070 -0.094 0.000 2.436 260 H HA 0.183 4.739 4.556 0.001 0.000 0.294 260 H C 1.772 177.184 175.328 0.140 0.000 1.048 260 H CA 1.001 57.055 56.048 0.010 0.000 1.353 260 H CB 0.159 29.900 29.762 -0.036 0.000 1.414 260 H HN 0.009 nan 8.280 nan 0.000 0.536 261 R N 0.123 120.694 120.500 0.118 0.000 2.073 261 R HA -0.181 4.160 4.340 0.001 0.000 0.234 261 R C 2.145 178.493 176.300 0.080 0.000 1.134 261 R CA 1.560 57.708 56.100 0.081 0.000 0.952 261 R CB -0.137 30.125 30.300 -0.064 0.000 0.850 261 R HN 0.266 nan 8.270 nan 0.000 0.433 262 Q N 1.129 120.949 119.800 0.033 0.000 2.167 262 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 262 Q C 1.792 177.820 176.000 0.047 0.000 0.970 262 Q CA 1.628 57.445 55.803 0.024 0.000 0.855 262 Q CB 0.027 28.762 28.738 -0.005 0.000 0.911 262 Q HN 0.351 nan 8.270 nan 0.000 0.438 263 E N -0.497 119.744 120.200 0.068 0.000 2.051 263 E HA -0.177 4.174 4.350 0.001 0.000 0.192 263 E C 1.655 178.336 176.600 0.134 0.000 0.991 263 E CA 1.279 57.738 56.400 0.097 0.000 0.799 263 E CB -0.116 29.662 29.700 0.131 0.000 0.748 263 E HN 0.467 nan 8.360 nan 0.000 0.449 264 L N 0.480 121.807 121.223 0.174 0.000 2.291 264 L HA -0.066 4.275 4.340 0.001 0.000 0.214 264 L C 2.337 179.254 176.870 0.079 0.000 1.120 264 L CA 0.314 55.224 54.840 0.117 0.000 0.799 264 L CB -0.169 41.957 42.059 0.112 0.000 0.925 264 L HN 0.228 nan 8.230 nan 0.000 0.446 265 I N -0.304 120.311 120.570 0.075 0.000 2.286 265 I HA -0.223 3.948 4.170 0.001 0.000 0.245 265 I C 2.345 178.487 176.117 0.041 0.000 1.104 265 I CA 1.327 62.658 61.300 0.052 0.000 1.397 265 I CB -0.107 37.921 38.000 0.046 0.000 1.072 265 I HN 0.246 nan 8.210 nan 0.000 0.417 266 E N 0.744 120.970 120.200 0.042 0.000 2.230 266 E HA 0.007 4.358 4.350 0.001 0.000 0.192 266 E C 0.348 176.970 176.600 0.036 0.000 0.987 266 E CA 0.451 56.871 56.400 0.033 0.000 0.841 266 E CB 0.334 30.051 29.700 0.028 0.000 0.783 266 E HN 0.394 nan 8.360 nan 0.000 0.481 267 R N 0.939 121.467 120.500 0.046 0.000 2.651 267 R HA 0.189 4.530 4.340 0.001 0.000 0.282 267 R C -2.309 174.016 176.300 0.042 0.000 1.565 267 R CA -1.377 54.750 56.100 0.045 0.000 1.661 267 R CB 0.698 31.031 30.300 0.054 0.000 1.189 267 R HN 0.002 nan 8.270 nan 0.000 0.621 268 P HA -0.187 nan 4.420 nan 0.000 0.222 268 P C 1.084 178.397 177.300 0.023 0.000 1.147 268 P CA 1.116 64.233 63.100 0.029 0.000 0.790 268 P CB 0.304 32.021 31.700 0.029 0.000 0.780 269 E N 0.884 121.099 120.200 0.025 0.000 2.409 269 E HA -0.163 4.188 4.350 0.001 0.000 0.198 269 E C 1.488 178.100 176.600 0.020 0.000 1.024 269 E CA 0.775 57.189 56.400 0.023 0.000 0.861 269 E CB -0.658 29.058 29.700 0.026 0.000 0.788 269 E HN 0.312 nan 8.360 nan 0.000 0.521 270 R N 0.241 120.751 120.500 0.018 0.000 2.310 270 R HA 0.265 4.606 4.340 0.001 0.000 0.202 270 R C 2.255 178.518 176.300 -0.061 0.000 0.933 270 R CA 0.058 56.160 56.100 0.003 0.000 1.054 270 R CB -0.105 30.219 30.300 0.040 0.000 0.985 270 R HN 0.203 nan 8.270 nan 0.000 0.489 271 I N 1.501 122.041 120.570 -0.049 0.000 2.163 271 I HA -0.203 3.968 4.170 0.001 0.000 0.243 271 I C -0.800 175.282 176.117 -0.058 0.000 1.085 271 I CA 1.378 62.631 61.300 -0.078 0.000 1.347 271 I CB -1.037 36.951 38.000 -0.020 0.000 1.044 271 I HN 0.034 nan 8.210 nan 0.000 0.408 272 P HA -0.196 nan 4.420 nan 0.000 0.215 272 P C 1.502 178.809 177.300 0.011 0.000 1.153 272 P CA 1.909 65.021 63.100 0.019 0.000 0.853 272 P CB -0.032 31.689 31.700 0.034 0.000 0.788 273 A N -0.196 122.622 122.820 -0.004 0.000 1.933 273 A HA -0.106 4.215 4.320 0.001 0.000 0.218 273 A C 2.308 179.868 177.584 -0.039 0.000 1.175 273 A CA 2.031 54.074 52.037 0.010 0.000 0.628 273 A CB -1.572 17.448 19.000 0.034 0.000 0.814 273 A HN 0.196 nan 8.150 nan 0.000 0.444 274 A N -0.935 121.749 122.820 -0.227 0.000 1.902 274 A HA -0.203 4.117 4.320 0.001 0.000 0.217 274 A C 2.403 179.875 177.584 -0.185 0.000 1.181 274 A CA 1.650 53.346 52.037 -0.568 0.000 0.623 274 A CB -1.482 16.794 19.000 -1.206 0.000 0.818 274 A HN 0.918 nan 8.150 nan 0.000 0.443 275 C N -0.487 118.777 119.300 -0.061 0.000 2.398 275 C HA -0.157 4.304 4.460 0.001 0.000 0.276 275 C C 2.570 177.623 174.990 0.105 0.000 1.222 275 C CA 1.950 61.018 59.018 0.084 0.000 1.746 275 C CB -1.083 26.720 27.740 0.104 0.000 2.039 275 C HN 0.681 nan 8.230 nan 0.000 0.470 276 E N 0.506 120.756 120.200 0.084 0.000 2.106 276 E HA -0.162 4.189 4.350 0.001 0.000 0.192 276 E C 2.049 178.700 176.600 0.085 0.000 0.984 276 E CA 1.657 58.123 56.400 0.109 0.000 0.806 276 E CB -0.326 29.461 29.700 0.144 0.000 0.750 276 E HN 0.802 nan 8.360 nan 0.000 0.458 277 E N -0.330 119.929 120.200 0.098 0.000 2.216 277 E HA -0.056 4.295 4.350 0.001 0.000 0.192 277 E C 1.737 178.368 176.600 0.052 0.000 0.988 277 E CA 0.740 57.196 56.400 0.093 0.000 0.834 277 E CB -0.150 29.663 29.700 0.188 0.000 0.772 277 E HN 0.326 nan 8.360 nan 0.000 0.479 278 L N -0.085 121.227 121.223 0.149 0.000 2.109 278 L HA -0.057 4.284 4.340 0.001 0.000 0.207 278 L C 2.376 179.444 176.870 0.331 0.000 1.086 278 L CA 0.646 55.642 54.840 0.259 0.000 0.760 278 L CB -0.342 41.937 42.059 0.366 0.000 0.910 278 L HN 0.195 nan 8.230 nan 0.000 0.437 279 L N -0.422 120.887 121.223 0.142 0.000 2.131 279 L HA -0.216 4.124 4.340 0.001 0.000 0.210 279 L C 2.866 179.487 176.870 -0.414 0.000 1.092 279 L CA 1.133 55.792 54.840 -0.300 0.000 0.759 279 L CB -0.427 41.269 42.059 -0.606 0.000 0.903 279 L HN 0.264 nan 8.230 nan 0.000 0.435 280 R N 0.214 120.528 120.500 -0.309 0.000 2.061 280 R HA -0.201 4.140 4.340 0.001 0.000 0.230 280 R C 2.480 178.616 176.300 -0.274 0.000 1.140 280 R CA 1.583 57.534 56.100 -0.247 0.000 0.940 280 R CB -0.104 30.153 30.300 -0.072 0.000 0.839 280 R HN 0.068 nan 8.270 nan 0.000 0.429 281 R N -0.234 120.050 120.500 -0.361 0.000 2.115 281 R HA -0.061 4.280 4.340 0.001 0.000 0.230 281 R C 0.617 176.393 176.300 -0.873 0.000 1.111 281 R CA 1.479 57.173 56.100 -0.676 0.000 0.976 281 R CB -0.123 29.567 30.300 -1.017 0.000 0.870 281 R HN 0.218 nan 8.270 nan 0.000 0.445 282 F N 0.198 120.044 119.950 -0.173 0.000 2.850 282 F HA 0.432 4.960 4.527 0.001 0.000 0.306 282 F C 0.397 176.092 175.800 -0.175 0.000 1.162 282 F CA -0.557 57.279 58.000 -0.274 0.000 1.327 282 F CB -0.096 38.759 39.000 -0.242 0.000 0.953 282 F HN -0.150 nan 8.300 nan 0.000 0.507 283 S N 1.629 117.241 115.700 -0.147 0.000 2.558 283 S HA 0.213 4.684 4.470 0.001 0.000 0.287 283 S C 0.952 175.406 174.600 -0.243 0.000 1.321 283 S CA 0.162 58.230 58.200 -0.220 0.000 1.048 283 S CB 0.413 63.446 63.200 -0.279 0.000 0.844 283 S HN 0.560 nan 8.310 nan 0.000 0.512 284 L N 2.048 123.148 121.223 -0.205 0.000 3.689 284 L HA 0.545 4.886 4.340 0.001 0.000 0.344 284 L C -0.820 175.926 176.870 -0.208 0.000 1.221 284 L CA -0.512 54.224 54.840 -0.173 0.000 1.171 284 L CB 0.130 42.251 42.059 0.104 0.000 1.540 284 L HN 0.341 nan 8.230 nan 0.000 0.631 285 V N 1.994 121.778 119.914 -0.218 0.000 2.539 285 V HA 0.817 4.938 4.120 0.001 0.000 0.292 285 V C 0.365 176.317 176.094 -0.236 0.000 1.045 285 V CA 0.137 62.326 62.300 -0.185 0.000 0.945 285 V CB 1.464 33.218 31.823 -0.115 0.000 0.993 285 V HN 0.341 nan 8.190 nan 0.000 0.464 286 A N 3.257 125.958 122.820 -0.197 0.000 2.745 286 A HA 0.655 4.976 4.320 0.001 0.000 0.301 286 A C -0.550 177.022 177.584 -0.021 0.000 1.188 286 A CA -0.651 51.310 52.037 -0.127 0.000 0.746 286 A CB 0.355 19.221 19.000 -0.224 0.000 1.207 286 A HN 0.852 nan 8.150 nan 0.000 0.432 287 D N 1.253 121.691 120.400 0.063 0.000 2.607 287 D HA 0.856 5.496 4.640 0.001 0.000 0.253 287 D C 0.550 176.947 176.300 0.162 0.000 1.171 287 D CA 0.063 54.138 54.000 0.126 0.000 1.084 287 D CB 0.976 41.901 40.800 0.210 0.000 1.203 287 D HN 0.830 nan 8.370 nan 0.000 0.629 288 G N -1.980 106.914 108.800 0.156 0.000 2.494 288 G HA2 0.548 4.509 3.960 0.001 0.000 0.308 288 G HA3 0.548 4.509 3.960 0.001 0.000 0.308 288 G C -1.243 173.705 174.900 0.080 0.000 1.263 288 G CA -0.775 44.378 45.100 0.088 0.000 0.840 288 G HN 0.460 nan 8.290 nan 0.000 0.479 289 R N -1.292 119.249 120.500 0.069 0.000 2.795 289 R HA 0.651 4.992 4.340 0.001 0.000 0.268 289 R C -1.483 174.911 176.300 0.157 0.000 1.041 289 R CA -0.735 55.435 56.100 0.117 0.000 0.927 289 R CB 1.706 32.103 30.300 0.162 0.000 1.235 289 R HN 0.641 nan 8.270 nan 0.000 0.463 290 I N 1.252 121.917 120.570 0.159 0.000 2.569 290 I HA 0.295 4.465 4.170 0.001 0.000 0.296 290 I C -0.667 175.529 176.117 0.133 0.000 1.028 290 I CA -1.057 60.337 61.300 0.156 0.000 1.082 290 I CB 1.407 39.472 38.000 0.108 0.000 1.264 290 I HN 0.233 nan 8.210 nan 0.000 0.429 291 L N 6.291 127.590 121.223 0.128 0.000 2.410 291 L HA 0.125 4.466 4.340 0.001 0.000 0.273 291 L C 1.533 178.405 176.870 0.004 0.000 1.144 291 L CA 0.448 55.297 54.840 0.015 0.000 0.863 291 L CB 1.004 43.094 42.059 0.052 0.000 1.140 291 L HN 0.804 nan 8.230 nan 0.000 0.463 292 T N -1.620 112.903 114.554 -0.052 0.000 3.081 292 T HA 0.068 4.419 4.350 0.001 0.000 0.255 292 T C 0.692 175.378 174.700 -0.022 0.000 1.113 292 T CA 0.407 62.487 62.100 -0.033 0.000 1.082 292 T CB 0.119 68.947 68.868 -0.067 0.000 0.939 292 T HN 0.630 nan 8.240 nan 0.000 0.506 293 S N -0.176 115.516 115.700 -0.014 0.000 2.587 293 S HA 0.443 4.913 4.470 0.001 0.000 0.269 293 S C -2.126 172.491 174.600 0.028 0.000 1.154 293 S CA -1.162 57.045 58.200 0.012 0.000 0.824 293 S CB 1.079 64.294 63.200 0.026 0.000 1.118 293 S HN 0.056 nan 8.310 nan 0.000 0.462 294 D N 1.204 121.622 120.400 0.030 0.000 2.455 294 D HA 0.449 5.089 4.640 0.001 0.000 0.241 294 D C -0.816 175.540 176.300 0.093 0.000 1.138 294 D CA 0.961 54.982 54.000 0.035 0.000 0.877 294 D CB 0.130 40.936 40.800 0.011 0.000 1.187 294 D HN 0.544 nan 8.370 nan 0.000 0.451 295 Y N 0.476 120.700 120.300 -0.127 0.000 2.436 295 Y HA 0.178 4.728 4.550 0.000 0.000 0.327 295 Y C -1.177 174.643 175.900 -0.133 0.000 1.138 295 Y CA -0.985 56.983 58.100 -0.220 0.000 1.042 295 Y CB 1.276 39.453 38.460 -0.472 0.000 1.302 295 Y HN 0.334 nan 8.280 nan 0.000 0.439 296 E N 5.927 125.822 120.200 -0.509 0.000 2.200 296 E HA 0.389 4.740 4.350 0.001 0.000 0.283 296 E C -1.953 174.199 176.600 -0.746 0.000 1.015 296 E CA -0.537 55.593 56.400 -0.451 0.000 0.819 296 E CB 0.764 30.323 29.700 -0.234 0.000 1.081 296 E HN 0.470 nan 8.360 nan 0.000 0.397 297 F N 4.382 123.947 119.950 -0.641 0.000 2.539 297 F HA 0.249 4.775 4.527 -0.001 0.000 0.328 297 F C -0.651 175.070 175.800 -0.132 0.000 1.148 297 F CA -0.602 57.134 58.000 -0.441 0.000 0.940 297 F CB 0.613 39.468 39.000 -0.240 0.000 1.194 297 F HN 0.767 nan 8.300 nan 0.000 0.438 298 H N 3.635 122.405 119.070 -0.500 0.000 2.713 298 H HA -0.101 4.456 4.556 0.002 0.000 0.311 298 H C 1.293 176.474 175.328 -0.245 0.000 1.175 298 H CA 1.315 57.106 56.048 -0.428 0.000 1.143 298 H CB -0.986 28.411 29.762 -0.608 0.000 1.434 298 H HN 1.243 nan 8.280 nan 0.000 0.418 299 G N -1.738 106.972 108.800 -0.149 0.000 2.148 299 G HA2 -0.250 3.711 3.960 0.001 0.000 0.254 299 G HA3 -0.250 3.711 3.960 0.001 0.000 0.254 299 G C 0.052 174.919 174.900 -0.055 0.000 0.981 299 G CA 0.192 45.240 45.100 -0.087 0.000 0.670 299 G HN 0.593 nan 8.290 nan 0.000 0.528 300 V N 0.409 120.268 119.914 -0.091 0.000 2.487 300 V HA 0.579 4.699 4.120 0.001 0.000 0.298 300 V C 0.300 176.318 176.094 -0.127 0.000 1.028 300 V CA -0.874 61.366 62.300 -0.099 0.000 0.860 300 V CB 1.846 33.552 31.823 -0.195 0.000 0.991 300 V HN 0.350 nan 8.190 nan 0.000 0.427 301 Q N 4.469 124.251 119.800 -0.031 0.000 2.307 301 Q HA 0.426 4.767 4.340 0.001 0.000 0.261 301 Q C -1.020 175.044 176.000 0.106 0.000 1.051 301 Q CA 0.381 56.195 55.803 0.017 0.000 0.911 301 Q CB 0.462 29.250 28.738 0.082 0.000 1.227 301 Q HN 0.671 nan 8.270 nan 0.000 0.418 302 L N 3.352 124.581 121.223 0.011 0.000 2.343 302 L HA 0.555 4.896 4.340 0.001 0.000 0.275 302 L C 0.133 177.066 176.870 0.104 0.000 1.056 302 L CA -0.823 54.088 54.840 0.119 0.000 0.804 302 L CB 1.383 43.422 42.059 -0.034 0.000 1.203 302 L HN 0.472 nan 8.230 nan 0.000 0.440 303 K N 2.424 122.893 120.400 0.116 0.000 2.221 303 K HA 0.255 4.576 4.320 0.001 0.000 0.258 303 K C -0.450 176.169 176.600 0.032 0.000 0.944 303 K CA -0.859 55.374 56.287 -0.091 0.000 0.823 303 K CB 1.587 33.764 32.500 -0.537 0.000 1.113 303 K HN 0.441 nan 8.250 nan 0.000 0.431 304 K N 2.063 122.467 120.400 0.008 0.000 2.511 304 K HA -0.125 4.196 4.320 0.001 0.000 0.277 304 K C 0.561 177.197 176.600 0.061 0.000 1.025 304 K CA 1.767 58.073 56.287 0.032 0.000 1.112 304 K CB -0.179 32.329 32.500 0.013 0.000 0.859 304 K HN 0.874 nan 8.250 nan 0.000 0.485 305 G N 3.124 111.979 108.800 0.092 0.000 2.217 305 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 305 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 305 G C -0.351 174.662 174.900 0.188 0.000 0.990 305 G CA 0.128 45.297 45.100 0.116 0.000 0.627 305 G HN 0.733 nan 8.290 nan 0.000 0.522 306 D N 1.533 122.091 120.400 0.264 0.000 2.443 306 D HA 0.370 5.011 4.640 0.001 0.000 0.239 306 D C 0.933 177.463 176.300 0.383 0.000 1.136 306 D CA 0.536 54.794 54.000 0.431 0.000 0.879 306 D CB 0.497 41.726 40.800 0.715 0.000 1.195 306 D HN 0.530 nan 8.370 nan 0.000 0.443 307 Q N 0.838 120.847 119.800 0.348 0.000 2.235 307 Q HA 0.563 4.904 4.340 0.001 0.000 0.250 307 Q C -0.279 175.943 176.000 0.371 0.000 0.909 307 Q CA -0.493 55.469 55.803 0.266 0.000 0.910 307 Q CB 2.242 31.059 28.738 0.132 0.000 1.223 307 Q HN 0.458 nan 8.270 nan 0.000 0.432 308 I N 2.663 123.417 120.570 0.306 0.000 2.478 308 I HA 0.243 4.414 4.170 0.001 0.000 0.287 308 I C -1.559 174.641 176.117 0.139 0.000 1.042 308 I CA -1.108 60.383 61.300 0.318 0.000 1.067 308 I CB 1.163 39.342 38.000 0.297 0.000 1.233 308 I HN 0.497 nan 8.210 nan 0.000 0.431 309 L N 8.317 129.634 121.223 0.157 0.000 2.319 309 L HA 0.398 4.739 4.340 0.001 0.000 0.280 309 L C -1.043 175.870 176.870 0.072 0.000 1.099 309 L CA 0.327 55.223 54.840 0.093 0.000 0.828 309 L CB 0.718 42.859 42.059 0.136 0.000 1.150 309 L HN 0.566 nan 8.230 nan 0.000 0.442 310 L N 7.735 128.970 121.223 0.020 0.000 2.581 310 L HA 0.383 4.724 4.340 0.001 0.000 0.241 310 L C -2.217 174.730 176.870 0.127 0.000 1.265 310 L CA -1.658 53.148 54.840 -0.056 0.000 0.954 310 L CB 0.816 42.571 42.059 -0.506 0.000 1.269 310 L HN 0.492 nan 8.230 nan 0.000 0.475 311 P HA 0.112 nan 4.420 nan 0.000 0.269 311 P C 0.232 177.546 177.300 0.023 0.000 1.252 311 P CA -0.106 63.026 63.100 0.054 0.000 0.780 311 P CB 1.040 32.788 31.700 0.080 0.000 0.829 312 Q N 2.728 122.538 119.800 0.016 0.000 2.152 312 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 312 Q C 1.923 177.859 176.000 -0.106 0.000 0.985 312 Q CA 1.713 57.503 55.803 -0.022 0.000 0.863 312 Q CB -0.605 28.084 28.738 -0.082 0.000 0.904 312 Q HN 0.510 nan 8.270 nan 0.000 0.422 313 M N -0.349 119.128 119.600 -0.204 0.000 2.144 313 M HA -0.232 4.249 4.480 0.001 0.000 0.260 313 M C 1.403 177.593 176.300 -0.183 0.000 1.067 313 M CA 1.599 56.737 55.300 -0.270 0.000 1.095 313 M CB -0.018 32.290 32.600 -0.486 0.000 1.365 313 M HN 0.296 nan 8.290 nan 0.000 0.406 314 L N -0.816 120.337 121.223 -0.116 0.000 2.240 314 L HA -0.092 4.248 4.340 0.001 0.000 0.211 314 L C 2.346 179.181 176.870 -0.059 0.000 1.106 314 L CA 0.477 55.278 54.840 -0.066 0.000 0.793 314 L CB -0.373 41.675 42.059 -0.017 0.000 0.927 314 L HN 0.303 nan 8.230 nan 0.000 0.446 315 S N 0.345 116.016 115.700 -0.048 0.000 2.368 315 S HA -0.137 4.334 4.470 0.001 0.000 0.225 315 S C 1.955 176.531 174.600 -0.040 0.000 1.030 315 S CA 1.416 59.592 58.200 -0.041 0.000 0.999 315 S CB -0.494 62.688 63.200 -0.031 0.000 0.844 315 S HN 0.593 nan 8.310 nan 0.000 0.459 316 G N 0.766 109.545 108.800 -0.035 0.000 2.572 316 G HA2 0.061 4.022 3.960 0.001 0.000 0.216 316 G HA3 0.061 4.022 3.960 0.001 0.000 0.216 316 G C 1.100 175.959 174.900 -0.067 0.000 1.133 316 G CA 0.129 45.213 45.100 -0.026 0.000 0.791 316 G HN 0.449 nan 8.290 nan 0.000 0.538 317 L N 0.197 121.370 121.223 -0.084 0.000 2.567 317 L HA 0.178 4.518 4.340 0.001 0.000 0.225 317 L C 0.529 177.362 176.870 -0.062 0.000 1.119 317 L CA -0.284 54.504 54.840 -0.088 0.000 0.871 317 L CB 0.077 42.079 42.059 -0.095 0.000 1.036 317 L HN 0.009 nan 8.230 nan 0.000 0.459 318 D N 1.538 121.905 120.400 -0.055 0.000 2.382 318 D HA -0.031 4.610 4.640 0.001 0.000 0.259 318 D C 1.103 177.378 176.300 -0.043 0.000 1.224 318 D CA 0.044 54.014 54.000 -0.050 0.000 0.894 318 D CB 1.358 42.126 40.800 -0.053 0.000 1.127 318 D HN 0.238 nan 8.370 nan 0.000 0.487 319 E N 3.530 123.706 120.200 -0.039 0.000 2.265 319 E HA -0.187 4.164 4.350 0.001 0.000 0.196 319 E C 1.460 178.043 176.600 -0.029 0.000 0.996 319 E CA 1.091 57.472 56.400 -0.031 0.000 0.832 319 E CB -0.225 29.458 29.700 -0.028 0.000 0.756 319 E HN 0.454 nan 8.360 nan 0.000 0.491 320 R N 0.490 120.970 120.500 -0.034 0.000 2.236 320 R HA -0.017 4.323 4.340 0.001 0.000 0.208 320 R C 1.794 178.078 176.300 -0.027 0.000 1.036 320 R CA 1.426 57.507 56.100 -0.031 0.000 1.001 320 R CB -0.119 30.159 30.300 -0.037 0.000 0.896 320 R HN 0.607 nan 8.270 nan 0.000 0.464 321 E N -0.784 119.399 120.200 -0.029 0.000 2.453 321 E HA 0.107 4.458 4.350 0.001 0.000 0.211 321 E C -0.184 176.404 176.600 -0.019 0.000 0.897 321 E CA -0.164 56.221 56.400 -0.025 0.000 1.063 321 E CB 0.516 30.197 29.700 -0.032 0.000 1.080 321 E HN 0.008 nan 8.360 nan 0.000 0.512 322 N N 1.334 120.021 118.700 -0.020 0.000 2.480 322 N HA 0.328 5.069 4.740 0.001 0.000 0.289 322 N C -1.208 174.296 175.510 -0.011 0.000 1.073 322 N CA -0.306 52.736 53.050 -0.014 0.000 0.885 322 N CB 2.012 40.488 38.487 -0.018 0.000 1.421 322 N HN 0.221 nan 8.380 nan 0.000 0.503 323 A N 0.924 123.743 122.820 -0.002 0.000 2.498 323 A HA 0.350 4.670 4.320 0.001 0.000 0.239 323 A C 1.365 178.955 177.584 0.010 0.000 1.068 323 A CA 0.431 52.469 52.037 0.002 0.000 0.766 323 A CB -0.726 18.278 19.000 0.006 0.000 1.003 323 A HN 1.291 nan 8.150 nan 0.000 0.497 324 C N 2.705 122.009 119.300 0.006 0.000 3.349 324 C HA -0.060 4.400 4.460 0.001 0.000 0.275 324 C C -0.036 174.968 174.990 0.022 0.000 1.322 324 C CA 0.182 59.210 59.018 0.016 0.000 2.261 324 C CB -2.146 25.612 27.740 0.030 0.000 1.446 324 C HN 0.778 nan 8.230 nan 0.000 0.533 325 P HA -0.121 nan 4.420 nan 0.000 0.222 325 P C 1.484 178.739 177.300 -0.076 0.000 1.147 325 P CA 1.544 64.618 63.100 -0.044 0.000 0.790 325 P CB -0.004 31.663 31.700 -0.054 0.000 0.780 326 M N -1.796 117.778 119.600 -0.043 0.000 2.595 326 M HA 0.022 4.502 4.480 0.001 0.000 0.248 326 M C 1.120 177.399 176.300 -0.034 0.000 1.119 326 M CA 0.325 55.583 55.300 -0.070 0.000 1.079 326 M CB -1.345 31.239 32.600 -0.026 0.000 1.472 326 M HN 0.098 nan 8.290 nan 0.000 0.501 327 H N 0.772 119.782 119.070 -0.100 0.000 2.548 327 H HA 0.295 4.852 4.556 0.001 0.000 0.331 327 H C -1.006 174.245 175.328 -0.128 0.000 1.093 327 H CA -0.335 55.667 56.048 -0.077 0.000 1.367 327 H CB 1.538 31.283 29.762 -0.028 0.000 1.455 327 H HN -0.187 nan 8.280 nan 0.000 0.519 328 V N 5.669 125.235 119.914 -0.580 0.000 2.364 328 V HA 0.033 4.153 4.120 0.001 0.000 0.272 328 V C 0.030 175.794 176.094 -0.549 0.000 1.036 328 V CA -0.256 61.706 62.300 -0.562 0.000 0.880 328 V CB 1.087 32.434 31.823 -0.794 0.000 0.991 328 V HN 0.710 nan 8.190 nan 0.000 0.460 329 D N 4.128 124.358 120.400 -0.284 0.000 2.469 329 D HA 0.354 4.995 4.640 0.001 0.000 0.251 329 D C 0.492 176.847 176.300 0.092 0.000 1.173 329 D CA -0.569 53.359 54.000 -0.120 0.000 0.882 329 D CB 1.070 41.853 40.800 -0.029 0.000 1.129 329 D HN 0.230 nan 8.370 nan 0.000 0.549 330 F N 1.219 121.215 119.950 0.078 0.000 2.408 330 F HA -0.048 4.479 4.527 0.001 0.000 0.300 330 F C 2.179 178.008 175.800 0.050 0.000 1.090 330 F CA 0.491 58.535 58.000 0.074 0.000 1.427 330 F CB -0.546 38.519 39.000 0.108 0.000 1.070 330 F HN 0.271 nan 8.300 nan 0.000 0.549 331 S N -0.818 115.000 115.700 0.197 0.000 2.597 331 S HA 0.067 4.538 4.470 0.001 0.000 0.224 331 S C 0.892 175.548 174.600 0.093 0.000 0.955 331 S CA -0.503 57.771 58.200 0.123 0.000 0.933 331 S CB -0.268 62.986 63.200 0.089 0.000 0.788 331 S HN 0.195 nan 8.310 nan 0.000 0.488 332 R N 2.339 122.897 120.500 0.097 0.000 2.585 332 R HA 0.025 4.365 4.340 0.001 0.000 0.275 332 R C -0.243 176.094 176.300 0.062 0.000 1.018 332 R CA 0.593 56.735 56.100 0.070 0.000 1.072 332 R CB 0.296 30.632 30.300 0.061 0.000 0.953 332 R HN 0.343 nan 8.270 nan 0.000 0.419 333 Q N 2.921 122.749 119.800 0.048 0.000 2.226 333 Q HA 0.203 4.544 4.340 0.001 0.000 0.256 333 Q C -0.591 175.427 176.000 0.031 0.000 0.962 333 Q CA -0.823 55.004 55.803 0.039 0.000 0.887 333 Q CB 1.653 30.411 28.738 0.033 0.000 1.282 333 Q HN 0.530 nan 8.270 nan 0.000 0.449 334 K N -0.283 120.133 120.400 0.026 0.000 3.419 334 K HA -0.158 4.163 4.320 0.001 0.000 0.272 334 K C -0.964 175.644 176.600 0.014 0.000 0.973 334 K CA -0.070 56.226 56.287 0.016 0.000 0.749 334 K CB -1.871 30.636 32.500 0.010 0.000 1.403 334 K HN 0.356 nan 8.250 nan 0.000 0.456 335 V N 2.209 122.138 119.914 0.026 0.000 2.425 335 V HA 0.021 4.142 4.120 0.001 0.000 0.276 335 V C 0.909 177.003 176.094 -0.000 0.000 1.017 335 V CA 0.464 62.787 62.300 0.037 0.000 1.062 335 V CB 0.897 32.767 31.823 0.078 0.000 0.997 335 V HN 0.520 nan 8.190 nan 0.000 0.476 336 S N 4.589 120.283 115.700 -0.009 0.000 2.513 336 S HA 0.909 5.379 4.470 0.001 0.000 0.299 336 S C -0.791 173.797 174.600 -0.021 0.000 1.087 336 S CA -0.758 57.398 58.200 -0.073 0.000 1.012 336 S CB 2.119 65.287 63.200 -0.055 0.000 1.044 336 S HN 1.109 nan 8.310 nan 0.000 0.485 337 H N -1.511 117.537 119.070 -0.037 0.000 2.967 337 H HA 0.644 5.201 4.556 0.001 0.000 0.318 337 H C -0.487 174.811 175.328 -0.050 0.000 1.375 337 H CA -0.374 55.633 56.048 -0.067 0.000 1.132 337 H CB 0.770 30.473 29.762 -0.099 0.000 1.848 337 H HN 0.591 nan 8.280 nan 0.000 0.524 338 T N -2.557 112.085 114.554 0.147 0.000 3.380 338 T HA 0.168 4.518 4.350 0.001 0.000 0.289 338 T C 0.514 175.246 174.700 0.053 0.000 1.012 338 T CA 0.141 62.304 62.100 0.105 0.000 0.944 338 T CB -0.538 68.351 68.868 0.035 0.000 1.172 338 T HN 0.613 nan 8.240 nan 0.000 0.502 339 T N 1.599 116.153 114.554 0.001 0.000 2.721 339 T HA -0.060 4.291 4.350 0.001 0.000 0.268 339 T C 0.541 175.004 174.700 -0.395 0.000 1.038 339 T CA 1.514 63.398 62.100 -0.361 0.000 1.145 339 T CB -0.428 67.957 68.868 -0.807 0.000 0.858 339 T HN 0.509 nan 8.240 nan 0.000 0.459 340 F N 1.101 121.038 119.950 -0.022 0.000 2.645 340 F HA 0.458 4.985 4.527 0.001 0.000 0.300 340 F C 1.681 177.442 175.800 -0.064 0.000 1.115 340 F CA -0.200 57.768 58.000 -0.053 0.000 1.355 340 F CB -0.568 38.405 39.000 -0.045 0.000 1.026 340 F HN 0.337 nan 8.300 nan 0.000 0.536 341 G N 0.174 108.992 108.800 0.031 0.000 2.632 341 G HA2 -0.156 3.805 3.960 0.001 0.000 0.224 341 G HA3 -0.156 3.805 3.960 0.001 0.000 0.224 341 G C -1.266 173.637 174.900 0.006 0.000 1.341 341 G CA -0.317 44.714 45.100 -0.115 0.000 0.880 341 G HN 0.568 nan 8.290 nan 0.000 0.566 342 H N -1.067 117.876 119.070 -0.212 0.000 3.112 342 H HA 0.663 5.220 4.556 0.001 0.000 0.347 342 H C 0.537 175.877 175.328 0.020 0.000 1.188 342 H CA 1.881 57.899 56.048 -0.050 0.000 1.240 342 H CB 1.155 30.938 29.762 0.034 0.000 1.920 342 H HN 2.655 nan 8.280 nan 0.000 0.535 343 G N 1.270 109.811 108.800 -0.433 0.000 2.527 343 G HA2 -0.262 3.699 3.960 0.001 0.000 0.227 343 G HA3 -0.262 3.699 3.960 0.001 0.000 0.227 343 G C 1.213 176.073 174.900 -0.068 0.000 1.291 343 G CA 0.600 45.598 45.100 -0.170 0.000 0.904 343 G HN 1.426 nan 8.290 nan 0.000 0.577 344 S N -1.007 114.689 115.700 -0.006 0.000 2.442 344 S HA -0.096 4.374 4.470 0.001 0.000 0.236 344 S C 1.393 175.845 174.600 -0.247 0.000 1.007 344 S CA 2.025 60.139 58.200 -0.144 0.000 0.965 344 S CB -0.295 62.750 63.200 -0.258 0.000 0.773 344 S HN 0.761 nan 8.310 nan 0.000 0.504 345 H N 0.317 119.374 119.070 -0.021 0.000 2.520 345 H HA 0.348 4.904 4.556 0.001 0.000 0.284 345 H C 0.243 175.550 175.328 -0.035 0.000 1.037 345 H CA -0.547 55.492 56.048 -0.014 0.000 1.168 345 H CB -0.026 29.742 29.762 0.011 0.000 1.497 345 H HN 0.324 nan 8.280 nan 0.000 0.547 346 L N 1.995 123.229 121.223 0.019 0.000 2.678 346 L HA -0.101 4.240 4.340 0.001 0.000 0.285 346 L C 0.556 177.424 176.870 -0.003 0.000 1.233 346 L CA 0.105 54.944 54.840 -0.001 0.000 0.920 346 L CB -0.067 41.971 42.059 -0.034 0.000 1.176 346 L HN 0.291 nan 8.230 nan 0.000 0.495 347 C N 6.421 125.731 119.300 0.017 0.000 2.419 347 C HA -0.034 4.427 4.460 0.001 0.000 0.398 347 C C 1.950 176.865 174.990 -0.126 0.000 1.498 347 C CA -0.155 58.854 59.018 -0.016 0.000 1.494 347 C CB -1.400 26.360 27.740 0.033 0.000 2.485 347 C HN 0.939 nan 8.230 nan 0.000 0.608 348 L N 5.130 126.315 121.223 -0.063 0.000 2.217 348 L HA 0.087 4.428 4.340 0.001 0.000 0.211 348 L C 2.490 179.293 176.870 -0.113 0.000 1.107 348 L CA 1.423 56.221 54.840 -0.071 0.000 0.783 348 L CB -0.510 41.547 42.059 -0.004 0.000 0.919 348 L HN 0.972 nan 8.230 nan 0.000 0.442 349 G N -0.265 108.467 108.800 -0.114 0.000 2.848 349 G HA2 -0.132 3.828 3.960 0.001 0.000 0.208 349 G HA3 -0.132 3.828 3.960 0.001 0.000 0.208 349 G C 1.394 176.130 174.900 -0.273 0.000 1.152 349 G CA 0.126 45.159 45.100 -0.111 0.000 0.789 349 G HN 0.572 nan 8.290 nan 0.000 0.531 350 Q N -0.407 119.034 119.800 -0.598 0.000 2.167 350 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 350 Q C 1.806 177.370 176.000 -0.728 0.000 0.970 350 Q CA 1.128 56.255 55.803 -1.126 0.000 0.855 350 Q CB -0.435 27.264 28.738 -1.732 0.000 0.911 350 Q HN 0.465 nan 8.270 nan 0.000 0.438 351 H N 0.427 119.339 119.070 -0.263 0.000 2.395 351 H HA -0.029 4.527 4.556 0.001 0.000 0.299 351 H C 2.129 177.414 175.328 -0.073 0.000 1.070 351 H CA 1.206 57.172 56.048 -0.137 0.000 1.356 351 H CB -0.090 29.615 29.762 -0.095 0.000 1.401 351 H HN 0.251 nan 8.280 nan 0.000 0.524 352 L N 1.280 122.522 121.223 0.031 0.000 2.017 352 L HA -0.049 4.292 4.340 0.001 0.000 0.208 352 L C 2.532 179.421 176.870 0.032 0.000 1.073 352 L CA 1.803 56.660 54.840 0.027 0.000 0.745 352 L CB -0.903 41.163 42.059 0.012 0.000 0.894 352 L HN 0.165 nan 8.230 nan 0.000 0.432 353 A N -0.291 122.533 122.820 0.006 0.000 1.883 353 A HA -0.233 4.088 4.320 0.001 0.000 0.217 353 A C 2.423 180.091 177.584 0.139 0.000 1.186 353 A CA 1.919 54.008 52.037 0.088 0.000 0.624 353 A CB -0.591 18.497 19.000 0.147 0.000 0.822 353 A HN 0.515 nan 8.150 nan 0.000 0.444 354 R N -1.334 119.226 120.500 0.100 0.000 2.096 354 R HA -0.129 4.211 4.340 0.001 0.000 0.235 354 R C 2.429 178.819 176.300 0.150 0.000 1.127 354 R CA 1.480 57.665 56.100 0.141 0.000 0.968 354 R CB -0.258 30.111 30.300 0.116 0.000 0.861 354 R HN 0.429 nan 8.270 nan 0.000 0.440 355 R N 1.597 122.175 120.500 0.130 0.000 2.081 355 R HA -0.121 4.220 4.340 0.001 0.000 0.235 355 R C 1.689 178.115 176.300 0.209 0.000 1.131 355 R CA 1.721 57.907 56.100 0.142 0.000 0.960 355 R CB -0.208 30.158 30.300 0.110 0.000 0.856 355 R HN 0.280 nan 8.270 nan 0.000 0.436 356 E N -0.353 119.982 120.200 0.225 0.000 2.085 356 E HA -0.190 4.161 4.350 0.001 0.000 0.194 356 E C 2.005 178.884 176.600 0.465 0.000 0.994 356 E CA 1.654 58.288 56.400 0.389 0.000 0.801 356 E CB -0.200 29.644 29.700 0.240 0.000 0.743 356 E HN 0.373 nan 8.360 nan 0.000 0.453 357 I N 0.714 121.493 120.570 0.348 0.000 2.202 357 I HA -0.251 3.920 4.170 0.001 0.000 0.242 357 I C 2.327 178.590 176.117 0.243 0.000 1.091 357 I CA 1.025 62.526 61.300 0.335 0.000 1.368 357 I CB -0.128 38.085 38.000 0.354 0.000 1.058 357 I HN 0.073 nan 8.210 nan 0.000 0.410 358 I N -0.232 120.459 120.570 0.202 0.000 2.353 358 I HA -0.213 3.958 4.170 0.001 0.000 0.248 358 I C 2.462 178.664 176.117 0.141 0.000 1.119 358 I CA 0.928 62.314 61.300 0.144 0.000 1.417 358 I CB -0.189 37.882 38.000 0.117 0.000 1.078 358 I HN 0.001 nan 8.210 nan 0.000 0.421 359 V N 0.471 120.494 119.914 0.182 0.000 2.343 359 V HA -0.283 3.838 4.120 0.001 0.000 0.247 359 V C 2.485 178.665 176.094 0.142 0.000 1.051 359 V CA 2.397 64.800 62.300 0.172 0.000 1.036 359 V CB -0.856 31.111 31.823 0.241 0.000 0.654 359 V HN 0.464 nan 8.190 nan 0.000 0.451 360 T N 0.391 115.046 114.554 0.169 0.000 2.708 360 T HA -0.130 4.221 4.350 0.001 0.000 0.266 360 T C 1.889 176.628 174.700 0.065 0.000 1.037 360 T CA 1.573 63.726 62.100 0.089 0.000 1.146 360 T CB -0.292 68.669 68.868 0.155 0.000 0.865 360 T HN 0.289 nan 8.240 nan 0.000 0.435 361 L N 0.462 121.733 121.223 0.079 0.000 2.012 361 L HA -0.143 4.198 4.340 0.001 0.000 0.210 361 L C 2.665 179.587 176.870 0.085 0.000 1.073 361 L CA 1.382 56.260 54.840 0.064 0.000 0.748 361 L CB -0.441 41.651 42.059 0.054 0.000 0.891 361 L HN 0.162 nan 8.230 nan 0.000 0.431 362 K N 0.018 120.463 120.400 0.075 0.000 2.025 362 K HA -0.149 4.172 4.320 0.001 0.000 0.207 362 K C 2.053 178.684 176.600 0.052 0.000 1.049 362 K CA 1.249 57.573 56.287 0.062 0.000 0.933 362 K CB 0.017 32.550 32.500 0.056 0.000 0.714 362 K HN 0.129 nan 8.250 nan 0.000 0.438 363 E N -0.464 119.765 120.200 0.049 0.000 2.158 363 E HA -0.164 4.187 4.350 0.001 0.000 0.191 363 E C 1.736 178.314 176.600 -0.036 0.000 0.982 363 E CA 0.541 56.945 56.400 0.007 0.000 0.823 363 E CB -0.360 29.349 29.700 0.014 0.000 0.766 363 E HN 0.465 nan 8.360 nan 0.000 0.468 364 W N 1.535 122.726 121.300 -0.182 0.000 2.380 364 W HA -0.106 4.555 4.660 0.002 0.000 0.317 364 W C 1.811 178.216 176.519 -0.190 0.000 1.196 364 W CA 1.009 58.190 57.345 -0.274 0.000 1.307 364 W CB -0.430 28.795 29.460 -0.392 0.000 1.157 364 W HN 0.016 nan 8.180 nan 0.000 0.483 365 L N 0.361 121.690 121.223 0.178 0.000 2.201 365 L HA -0.191 4.150 4.340 0.001 0.000 0.212 365 L C 2.398 179.278 176.870 0.016 0.000 1.105 365 L CA 1.428 56.356 54.840 0.147 0.000 0.775 365 L CB -1.133 41.024 42.059 0.164 0.000 0.913 365 L HN -0.120 nan 8.230 nan 0.000 0.440 366 T N -0.445 114.096 114.554 -0.021 0.000 2.720 366 T HA -0.180 4.171 4.350 0.001 0.000 0.268 366 T C 2.065 176.704 174.700 -0.101 0.000 1.037 366 T CA 1.458 63.531 62.100 -0.046 0.000 1.144 366 T CB -0.049 68.795 68.868 -0.039 0.000 0.864 366 T HN 0.341 nan 8.240 nan 0.000 0.444 367 R N -0.272 120.109 120.500 -0.200 0.000 2.175 367 R HA 0.332 4.673 4.340 0.001 0.000 0.202 367 R C 0.522 176.614 176.300 -0.346 0.000 1.018 367 R CA 0.589 56.531 56.100 -0.265 0.000 1.029 367 R CB 0.439 30.537 30.300 -0.335 0.000 0.959 367 R HN 0.307 nan 8.270 nan 0.000 0.480 368 I N 2.116 122.398 120.570 -0.479 0.000 2.862 368 I HA 0.186 4.357 4.170 0.001 0.000 0.285 368 I C -1.991 174.069 176.117 -0.095 0.000 1.339 368 I CA -1.586 59.396 61.300 -0.531 0.000 1.002 368 I CB 1.906 39.144 38.000 -1.270 0.000 1.618 368 I HN -0.137 nan 8.210 nan 0.000 0.593 369 P HA -0.097 nan 4.420 nan 0.000 0.221 369 P C 0.181 177.568 177.300 0.144 0.000 1.150 369 P CA 1.230 64.394 63.100 0.107 0.000 0.800 369 P CB 0.212 31.935 31.700 0.039 0.000 0.787 370 D N -0.482 120.002 120.400 0.140 0.000 2.408 370 D HA 0.461 5.102 4.640 0.001 0.000 0.243 370 D C -0.897 175.555 176.300 0.254 0.000 1.075 370 D CA -0.749 53.297 54.000 0.076 0.000 0.832 370 D CB 0.740 41.576 40.800 0.061 0.000 1.162 370 D HN -0.093 nan 8.370 nan 0.000 0.515 371 F N 0.485 120.504 119.950 0.114 0.000 2.713 371 F HA 0.780 5.307 4.527 0.001 0.000 0.311 371 F C -1.281 174.594 175.800 0.125 0.000 1.141 371 F CA -0.934 57.193 58.000 0.211 0.000 0.939 371 F CB 1.161 40.317 39.000 0.261 0.000 1.325 371 F HN 0.141 nan 8.300 nan 0.000 0.453 372 S N 1.217 117.096 115.700 0.298 0.000 2.618 372 S HA 0.634 5.104 4.470 0.001 0.000 0.277 372 S C -1.031 173.687 174.600 0.198 0.000 1.138 372 S CA -0.825 57.453 58.200 0.130 0.000 0.844 372 S CB 1.824 65.070 63.200 0.077 0.000 1.127 372 S HN 0.611 nan 8.310 nan 0.000 0.474 373 I N 2.090 122.722 120.570 0.103 0.000 2.710 373 I HA 0.132 4.302 4.170 0.001 0.000 0.286 373 I C 1.077 177.243 176.117 0.081 0.000 1.181 373 I CA -0.207 61.147 61.300 0.090 0.000 1.430 373 I CB -0.340 37.686 38.000 0.043 0.000 1.367 373 I HN 0.824 nan 8.210 nan 0.000 0.577 374 A N 8.841 131.708 122.820 0.078 0.000 2.567 374 A HA 0.230 4.551 4.320 0.001 0.000 0.240 374 A C -2.064 175.540 177.584 0.033 0.000 1.053 374 A CA -0.680 51.387 52.037 0.051 0.000 0.755 374 A CB -0.945 18.079 19.000 0.041 0.000 0.978 374 A HN 0.513 nan 8.150 nan 0.000 0.507 375 P HA 0.243 nan 4.420 nan 0.000 0.262 375 P C 1.165 178.472 177.300 0.012 0.000 1.182 375 P CA 1.786 64.895 63.100 0.015 0.000 0.761 375 P CB 0.634 32.340 31.700 0.010 0.000 0.795 376 G N 1.958 110.764 108.800 0.010 0.000 2.253 376 G HA2 -0.235 3.725 3.960 0.001 0.000 0.251 376 G HA3 -0.235 3.725 3.960 0.001 0.000 0.251 376 G C 0.476 175.382 174.900 0.009 0.000 0.998 376 G CA 0.044 45.149 45.100 0.008 0.000 0.621 376 G HN 0.865 nan 8.290 nan 0.000 0.524 377 A N -0.206 122.622 122.820 0.014 0.000 2.425 377 A HA 0.684 5.005 4.320 0.001 0.000 0.249 377 A C 0.297 177.888 177.584 0.012 0.000 1.084 377 A CA 0.585 52.632 52.037 0.016 0.000 0.781 377 A CB 0.539 19.553 19.000 0.024 0.000 1.019 377 A HN 0.511 nan 8.150 nan 0.000 0.490 378 Q N 1.506 121.311 119.800 0.009 0.000 2.372 378 Q HA 0.428 4.769 4.340 0.001 0.000 0.259 378 Q C -0.589 175.412 176.000 0.002 0.000 0.993 378 Q CA -0.318 55.486 55.803 0.001 0.000 0.854 378 Q CB 0.880 29.617 28.738 -0.002 0.000 1.231 378 Q HN 0.631 nan 8.270 nan 0.000 0.462 379 I N 3.296 123.863 120.570 -0.005 0.000 2.556 379 I HA 0.075 4.245 4.170 0.001 0.000 0.284 379 I C 0.166 176.261 176.117 -0.037 0.000 1.114 379 I CA 0.286 61.587 61.300 0.002 0.000 1.418 379 I CB 0.647 38.657 38.000 0.016 0.000 1.394 379 I HN 0.610 nan 8.210 nan 0.000 0.552 380 Q N 5.686 125.497 119.800 0.018 0.000 2.333 380 Q HA 0.440 4.781 4.340 0.001 0.000 0.267 380 Q C -0.813 175.288 176.000 0.170 0.000 1.012 380 Q CA -0.557 55.266 55.803 0.032 0.000 0.824 380 Q CB 2.297 31.061 28.738 0.044 0.000 1.290 380 Q HN 0.591 nan 8.270 nan 0.000 0.449 381 H N 0.783 119.911 119.070 0.096 0.000 2.559 381 H HA 0.471 5.028 4.556 0.001 0.000 0.343 381 H C -0.391 175.009 175.328 0.120 0.000 1.209 381 H CA -0.991 55.136 56.048 0.132 0.000 1.287 381 H CB 1.554 31.462 29.762 0.244 0.000 1.650 381 H HN 0.459 nan 8.280 nan 0.000 0.567 382 K N 0.079 120.637 120.400 0.264 0.000 2.435 382 K HA 0.589 4.910 4.320 0.001 0.000 0.251 382 K C -1.239 175.495 176.600 0.225 0.000 0.954 382 K CA -0.922 55.481 56.287 0.192 0.000 0.820 382 K CB 2.532 35.105 32.500 0.121 0.000 1.292 382 K HN 0.390 nan 8.250 nan 0.000 0.436 383 S N -0.002 115.831 115.700 0.222 0.000 2.536 383 S HA 0.887 5.358 4.470 0.001 0.000 0.298 383 S C -0.545 174.172 174.600 0.195 0.000 1.083 383 S CA 0.261 58.627 58.200 0.277 0.000 0.995 383 S CB 1.471 64.876 63.200 0.343 0.000 1.058 383 S HN 1.060 nan 8.310 nan 0.000 0.488 384 G N 2.664 111.544 108.800 0.133 0.000 2.498 384 G HA2 0.173 4.134 3.960 0.001 0.000 0.181 384 G HA3 0.173 4.134 3.960 0.001 0.000 0.181 384 G C 0.319 175.135 174.900 -0.140 0.000 1.169 384 G CA -0.198 44.825 45.100 -0.127 0.000 0.992 384 G HN 0.611 nan 8.290 nan 0.000 0.490 385 I N 0.237 120.692 120.570 -0.192 0.000 2.286 385 I HA 0.017 4.188 4.170 0.001 0.000 0.248 385 I C 0.452 176.469 176.117 -0.166 0.000 1.115 385 I CA 1.194 62.355 61.300 -0.232 0.000 1.392 385 I CB -0.106 37.633 38.000 -0.434 0.000 1.065 385 I HN 0.008 nan 8.210 nan 0.000 0.418 386 V N 0.988 120.839 119.914 -0.105 0.000 2.349 386 V HA 0.250 4.371 4.120 0.001 0.000 0.284 386 V C 0.021 176.118 176.094 0.004 0.000 1.014 386 V CA -0.573 61.695 62.300 -0.053 0.000 0.826 386 V CB 1.178 32.984 31.823 -0.027 0.000 1.009 386 V HN 0.082 nan 8.190 nan 0.000 0.431 387 S N 2.697 118.407 115.700 0.017 0.000 2.614 387 S HA 0.835 5.306 4.470 0.001 0.000 0.265 387 S C 0.598 175.322 174.600 0.206 0.000 1.303 387 S CA 0.307 58.580 58.200 0.122 0.000 1.000 387 S CB 1.587 64.842 63.200 0.092 0.000 0.935 387 S HN 1.151 nan 8.310 nan 0.000 0.551 388 G N -0.482 108.411 108.800 0.155 0.000 2.561 388 G HA2 0.516 4.476 3.960 0.001 0.000 0.310 388 G HA3 0.516 4.476 3.960 0.001 0.000 0.310 388 G C -1.901 172.759 174.900 -0.400 0.000 1.292 388 G CA -0.526 44.426 45.100 -0.246 0.000 0.811 388 G HN 0.636 nan 8.290 nan 0.000 0.482 389 V N 1.301 120.915 119.914 -0.500 0.000 2.448 389 V HA 0.322 4.443 4.120 0.001 0.000 0.295 389 V C 0.898 176.940 176.094 -0.086 0.000 1.025 389 V CA -0.517 61.623 62.300 -0.266 0.000 0.859 389 V CB 1.541 33.123 31.823 -0.401 0.000 0.988 389 V HN 0.793 nan 8.190 nan 0.000 0.431 390 Q N 2.714 122.524 119.800 0.017 0.000 2.119 390 Q HA 0.148 4.489 4.340 0.001 0.000 0.201 390 Q C 0.622 176.628 176.000 0.010 0.000 0.972 390 Q CA 1.426 57.238 55.803 0.016 0.000 0.847 390 Q CB 0.466 29.228 28.738 0.040 0.000 0.903 390 Q HN 0.892 nan 8.270 nan 0.000 0.433 391 A N 0.042 122.875 122.820 0.021 0.000 2.605 391 A HA 0.534 4.855 4.320 0.001 0.000 0.294 391 A C -1.913 175.699 177.584 0.046 0.000 1.062 391 A CA -0.609 51.446 52.037 0.030 0.000 0.682 391 A CB 1.277 20.296 19.000 0.033 0.000 1.278 391 A HN 0.092 nan 8.150 nan 0.000 0.410 392 L N 2.397 123.662 121.223 0.071 0.000 2.489 392 L HA 0.490 4.831 4.340 0.001 0.000 0.257 392 L C -2.659 174.283 176.870 0.120 0.000 1.215 392 L CA -1.423 53.468 54.840 0.086 0.000 0.915 392 L CB 1.804 43.917 42.059 0.090 0.000 1.146 392 L HN 0.431 nan 8.230 nan 0.000 0.494 393 P HA 0.249 nan 4.420 nan 0.000 0.282 393 P C -0.940 176.441 177.300 0.134 0.000 1.274 393 P CA 0.111 63.275 63.100 0.107 0.000 0.770 393 P CB 0.899 32.639 31.700 0.067 0.000 0.867 394 L N 4.023 125.369 121.223 0.205 0.000 2.333 394 L HA 0.730 5.071 4.340 0.001 0.000 0.269 394 L C 0.509 177.547 176.870 0.280 0.000 1.010 394 L CA -1.211 53.816 54.840 0.311 0.000 0.818 394 L CB 2.184 44.509 42.059 0.443 0.000 1.306 394 L HN 0.207 nan 8.230 nan 0.000 0.430 395 V N -1.272 118.837 119.914 0.325 0.000 3.078 395 V HA 0.804 4.925 4.120 0.001 0.000 0.311 395 V C -1.639 174.723 176.094 0.446 0.000 1.138 395 V CA -0.637 61.735 62.300 0.120 0.000 1.007 395 V CB 1.843 33.670 31.823 0.007 0.000 1.045 395 V HN 0.988 nan 8.190 nan 0.000 0.432 396 W N 0.292 121.667 121.300 0.125 0.000 3.059 396 W HA 0.723 5.383 4.660 0.001 0.000 0.329 396 W C -1.684 174.874 176.519 0.066 0.000 1.246 396 W CA -0.652 56.764 57.345 0.118 0.000 1.190 396 W CB 0.906 30.463 29.460 0.163 0.000 1.423 396 W HN 0.674 nan 8.180 nan 0.000 0.571 397 D N 2.108 122.673 120.400 0.274 0.000 2.339 397 D HA 0.323 4.964 4.640 0.001 0.000 0.241 397 D C -1.444 175.005 176.300 0.249 0.000 1.183 397 D CA -2.394 51.699 54.000 0.154 0.000 0.859 397 D CB 1.749 42.618 40.800 0.116 0.000 1.067 397 D HN 0.062 nan 8.370 nan 0.000 0.484 398 P HA -0.105 nan 4.420 nan 0.000 0.221 398 P C 0.861 178.244 177.300 0.138 0.000 1.145 398 P CA 1.008 64.239 63.100 0.218 0.000 0.795 398 P CB 0.208 31.972 31.700 0.105 0.000 0.775 399 A N -0.540 122.338 122.820 0.095 0.000 2.121 399 A HA -0.116 4.205 4.320 0.001 0.000 0.218 399 A C 1.969 179.591 177.584 0.063 0.000 1.154 399 A CA 1.890 53.965 52.037 0.064 0.000 0.679 399 A CB -1.598 17.429 19.000 0.046 0.000 0.795 399 A HN 0.343 nan 8.150 nan 0.000 0.458 400 T N -2.401 112.206 114.554 0.089 0.000 3.129 400 T HA 0.149 4.500 4.350 0.001 0.000 0.251 400 T C 0.843 175.568 174.700 0.042 0.000 1.117 400 T CA 0.717 62.858 62.100 0.069 0.000 1.034 400 T CB -0.810 68.111 68.868 0.089 0.000 0.968 400 T HN 0.521 nan 8.240 nan 0.000 0.526 401 T N -0.143 114.436 114.554 0.042 0.000 2.923 401 T HA 0.627 4.978 4.350 0.001 0.000 0.281 401 T C -0.766 173.919 174.700 -0.026 0.000 0.995 401 T CA -1.043 61.044 62.100 -0.022 0.000 0.985 401 T CB 1.805 70.655 68.868 -0.030 0.000 1.114 401 T HN 0.558 nan 8.240 nan 0.000 0.548 402 K N -0.146 120.217 120.400 -0.060 0.000 2.535 402 K HA 0.683 5.004 4.320 0.001 0.000 0.251 402 K C -1.052 175.511 176.600 -0.063 0.000 0.942 402 K CA -1.142 55.118 56.287 -0.045 0.000 0.798 402 K CB 2.000 34.479 32.500 -0.035 0.000 1.267 402 K HN 0.779 nan 8.250 nan 0.000 0.434 403 A N 2.917 125.712 122.820 -0.042 0.000 2.409 403 A HA 0.524 4.845 4.320 0.001 0.000 0.262 403 A C -0.220 177.343 177.584 -0.036 0.000 1.113 403 A CA -0.367 51.645 52.037 -0.043 0.000 0.790 403 A CB 0.452 19.438 19.000 -0.025 0.000 1.046 403 A HN 0.501 nan 8.150 nan 0.000 0.496 404 V N 0.000 119.890 119.914 -0.041 0.000 2.409 404 V HA 0.000 4.121 4.120 0.001 0.000 0.244 404 V CA 0.000 62.283 62.300 -0.029 0.000 1.235 404 V CB 0.000 31.803 31.823 -0.034 0.000 1.184 404 V HN 0.000 nan 8.190 nan 0.000 0.556