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 1dz9_1_A DATA FIRST_RESID 11 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 RQELIQRPER 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.879 176.870 0.015 0.000 1.165 11 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 11 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 12 A N 4.865 127.706 122.820 0.036 0.000 2.303 12 A HA 0.966 5.289 4.320 0.006 0.000 0.317 12 A C -2.257 175.368 177.584 0.068 0.000 1.149 12 A CA -1.239 50.832 52.037 0.057 0.000 0.822 12 A CB 0.420 19.468 19.000 0.080 0.000 1.131 12 A HN 0.454 nan 8.150 nan 0.000 0.493 13 P HA 0.085 nan 4.420 nan 0.000 0.267 13 P C -0.430 176.884 177.300 0.023 0.000 1.205 13 P CA 0.130 63.247 63.100 0.027 0.000 0.765 13 P CB 0.348 32.058 31.700 0.016 0.000 0.828 14 L N 5.997 127.209 121.223 -0.018 0.000 2.513 14 L HA 0.099 4.443 4.340 0.006 0.000 0.272 14 L C -1.653 175.109 176.870 -0.180 0.000 1.187 14 L CA -1.443 53.320 54.840 -0.129 0.000 0.895 14 L CB -0.017 41.944 42.059 -0.163 0.000 1.147 14 L HN 0.266 nan 8.230 nan 0.000 0.483 15 P HA 0.135 nan 4.420 nan 0.000 0.271 15 P C -1.985 175.220 177.300 -0.158 0.000 1.216 15 P CA -1.174 61.809 63.100 -0.195 0.000 0.771 15 P CB 0.267 31.833 31.700 -0.224 0.000 0.864 16 P HA -0.270 nan 4.420 nan 0.000 0.219 16 P C 1.258 178.580 177.300 0.037 0.000 1.158 16 P CA 1.838 64.943 63.100 0.008 0.000 0.895 16 P CB -0.471 31.251 31.700 0.037 0.000 0.792 17 H N -1.854 117.153 119.070 -0.104 0.000 2.555 17 H HA 0.106 4.665 4.556 0.006 0.000 0.269 17 H C 0.145 175.441 175.328 -0.053 0.000 0.988 17 H CA 0.206 56.224 56.048 -0.050 0.000 1.178 17 H CB -1.115 28.649 29.762 0.002 0.000 1.373 17 H HN -0.046 nan 8.280 nan 0.000 0.588 18 V N 4.914 124.507 119.914 -0.534 0.000 2.407 18 V HA 0.241 4.365 4.120 0.006 0.000 0.278 18 V C -1.974 173.975 176.094 -0.242 0.000 1.037 18 V CA -1.707 60.298 62.300 -0.492 0.000 0.900 18 V CB 1.659 32.809 31.823 -1.122 0.000 0.983 18 V HN 0.222 nan 8.190 nan 0.000 0.459 19 P HA 0.255 nan 4.420 nan 0.000 0.274 19 P C 0.248 177.538 177.300 -0.016 0.000 1.231 19 P CA -0.323 62.789 63.100 0.020 0.000 0.790 19 P CB 1.297 33.110 31.700 0.189 0.000 0.951 20 E N 0.405 120.663 120.200 0.096 0.000 2.153 20 E HA -0.199 4.155 4.350 0.006 0.000 0.194 20 E C 1.688 178.348 176.600 0.101 0.000 0.988 20 E CA 1.378 57.823 56.400 0.075 0.000 0.811 20 E CB -0.668 29.081 29.700 0.083 0.000 0.746 20 E HN 0.601 nan 8.360 nan 0.000 0.466 21 H N -0.452 118.646 119.070 0.046 0.000 2.547 21 H HA 0.096 4.656 4.556 0.006 0.000 0.266 21 H C 1.035 176.425 175.328 0.103 0.000 0.988 21 H CA 0.543 56.629 56.048 0.063 0.000 1.147 21 H CB -0.139 29.651 29.762 0.047 0.000 1.365 21 H HN 0.190 nan 8.280 nan 0.000 0.589 22 L N 0.873 121.909 121.223 -0.311 0.000 2.808 22 L HA 0.249 4.592 4.340 0.006 0.000 0.246 22 L C 0.150 177.091 176.870 0.119 0.000 1.153 22 L CA -0.309 54.471 54.840 -0.100 0.000 0.956 22 L CB 0.944 42.948 42.059 -0.091 0.000 1.270 22 L HN -0.095 nan 8.230 nan 0.000 0.528 23 V N 1.087 121.061 119.914 0.100 0.000 2.470 23 V HA 0.047 4.170 4.120 0.006 0.000 0.276 23 V C -0.591 175.605 176.094 0.171 0.000 1.040 23 V CA 0.302 62.696 62.300 0.157 0.000 1.008 23 V CB 0.750 32.633 31.823 0.101 0.000 0.990 23 V HN 0.126 nan 8.190 nan 0.000 0.477 24 F N 4.243 124.216 119.950 0.039 0.000 2.676 24 F HA 0.427 4.957 4.527 0.006 0.000 0.371 24 F C 0.429 176.224 175.800 -0.007 0.000 1.141 24 F CA -1.047 56.962 58.000 0.015 0.000 1.133 24 F CB 1.006 40.011 39.000 0.008 0.000 1.376 24 F HN 0.528 nan 8.300 nan 0.000 0.491 25 D N 5.831 126.154 120.400 -0.128 0.000 2.662 25 D HA -0.074 4.569 4.640 0.006 0.000 0.228 25 D C -0.150 176.123 176.300 -0.044 0.000 1.090 25 D CA 0.540 54.483 54.000 -0.095 0.000 1.118 25 D CB -0.510 40.209 40.800 -0.134 0.000 1.129 25 D HN 0.273 nan 8.370 nan 0.000 0.472 26 F N 1.769 121.700 119.950 -0.032 0.000 2.427 26 F HA 0.145 4.676 4.527 0.006 0.000 0.352 26 F C 0.344 176.057 175.800 -0.144 0.000 1.100 26 F CA -0.871 57.102 58.000 -0.046 0.000 1.191 26 F CB 0.921 39.939 39.000 0.029 0.000 1.128 26 F HN -0.143 nan 8.300 nan 0.000 0.533 27 D N 6.918 126.849 120.400 -0.783 0.000 2.392 27 D HA 0.121 4.765 4.640 0.006 0.000 0.228 27 D C 0.815 176.618 176.300 -0.828 0.000 1.074 27 D CA -0.559 53.130 54.000 -0.518 0.000 0.838 27 D CB 1.111 41.725 40.800 -0.311 0.000 1.067 27 D HN 0.735 nan 8.370 nan 0.000 0.511 28 M N 2.281 121.598 119.600 -0.471 0.000 2.460 28 M HA -0.058 4.426 4.480 0.006 0.000 0.263 28 M C 0.104 176.250 176.300 -0.258 0.000 1.071 28 M CA 1.168 56.240 55.300 -0.380 0.000 1.096 28 M CB -0.156 32.388 32.600 -0.093 0.000 1.408 28 M HN 0.235 nan 8.290 nan 0.000 0.463 29 Y N 0.518 120.785 120.300 -0.055 0.000 2.462 29 Y HA 0.320 4.873 4.550 0.006 0.000 0.261 29 Y C 0.482 176.360 175.900 -0.037 0.000 1.146 29 Y CA -0.058 58.044 58.100 0.003 0.000 1.283 29 Y CB 0.440 38.900 38.460 -0.000 0.000 1.090 29 Y HN 0.456 nan 8.280 nan 0.000 0.526 30 N N 0.693 119.370 118.700 -0.040 0.000 2.725 30 N HA 0.098 4.842 4.740 0.006 0.000 0.225 30 N C -3.256 172.114 175.510 -0.233 0.000 1.465 30 N CA -0.973 52.032 53.050 -0.074 0.000 0.830 30 N CB 0.896 39.372 38.487 -0.019 0.000 1.460 30 N HN -0.184 nan 8.380 nan 0.000 0.538 31 P HA 0.061 nan 4.420 nan 0.000 0.271 31 P C 0.777 177.952 177.300 -0.208 0.000 1.216 31 P CA 0.051 62.840 63.100 -0.520 0.000 0.776 31 P CB 1.673 33.035 31.700 -0.564 0.000 0.881 32 S N 2.211 117.799 115.700 -0.186 0.000 2.359 32 S HA -0.173 4.301 4.470 0.006 0.000 0.223 32 S C 1.137 175.733 174.600 -0.006 0.000 1.039 32 S CA 1.561 59.718 58.200 -0.073 0.000 1.042 32 S CB -0.700 62.474 63.200 -0.043 0.000 0.915 32 S HN 0.479 nan 8.310 nan 0.000 0.439 33 N N 1.505 120.230 118.700 0.042 0.000 2.466 33 N HA 0.192 4.935 4.740 0.006 0.000 0.251 33 N C 0.594 176.152 175.510 0.081 0.000 1.164 33 N CA -0.072 53.016 53.050 0.064 0.000 0.888 33 N CB 0.351 38.890 38.487 0.087 0.000 1.177 33 N HN 0.296 nan 8.380 nan 0.000 0.498 34 L N 0.390 121.655 121.223 0.069 0.000 2.141 34 L HA -0.110 4.233 4.340 0.006 0.000 0.209 34 L C 2.072 178.993 176.870 0.086 0.000 1.094 34 L CA 1.450 56.355 54.840 0.109 0.000 0.763 34 L CB -0.587 41.533 42.059 0.102 0.000 0.908 34 L HN 0.272 nan 8.230 nan 0.000 0.437 35 S N -0.592 115.136 115.700 0.047 0.000 2.442 35 S HA -0.082 4.392 4.470 0.006 0.000 0.236 35 S C 1.885 176.486 174.600 0.001 0.000 1.007 35 S CA 0.690 58.901 58.200 0.018 0.000 0.965 35 S CB -0.800 62.409 63.200 0.015 0.000 0.773 35 S HN 0.479 nan 8.310 nan 0.000 0.504 36 A N 0.964 123.800 122.820 0.026 0.000 2.238 36 A HA 0.579 4.903 4.320 0.006 0.000 0.208 36 A C 1.140 178.737 177.584 0.021 0.000 1.177 36 A CA 0.271 52.323 52.037 0.025 0.000 0.804 36 A CB -0.975 18.056 19.000 0.051 0.000 0.823 36 A HN 1.635 nan 8.150 nan 0.000 0.482 37 G N -2.196 106.601 108.800 -0.004 0.000 2.885 37 G HA2 0.068 4.032 3.960 0.006 0.000 0.685 37 G HA3 0.068 4.032 3.960 0.006 0.000 0.685 37 G C 0.368 175.460 174.900 0.320 0.000 1.216 37 G CA -0.195 44.934 45.100 0.048 0.000 0.790 37 G HN 0.856 nan 8.290 nan 0.000 0.631 38 V N 1.742 122.048 119.914 0.654 0.000 2.427 38 V HA -0.138 3.986 4.120 0.006 0.000 0.248 38 V C 2.613 178.937 176.094 0.383 0.000 1.051 38 V CA 3.277 65.878 62.300 0.501 0.000 1.048 38 V CB -0.184 31.927 31.823 0.481 0.000 0.666 38 V HN 0.795 nan 8.190 nan 0.000 0.456 39 Q N -0.001 119.911 119.800 0.188 0.000 2.119 39 Q HA -0.171 4.172 4.340 0.006 0.000 0.201 39 Q C 2.076 178.164 176.000 0.147 0.000 0.972 39 Q CA 1.967 57.806 55.803 0.060 0.000 0.847 39 Q CB -0.308 28.355 28.738 -0.124 0.000 0.903 39 Q HN 0.687 nan 8.270 nan 0.000 0.433 40 E N 0.510 120.799 120.200 0.149 0.000 2.077 40 E HA -0.148 4.206 4.350 0.006 0.000 0.193 40 E C 1.868 178.574 176.600 0.177 0.000 0.989 40 E CA 1.263 57.738 56.400 0.125 0.000 0.800 40 E CB -0.414 29.351 29.700 0.107 0.000 0.746 40 E HN 0.401 nan 8.360 nan 0.000 0.452 41 A N 0.054 123.024 122.820 0.250 0.000 1.940 41 A HA -0.189 4.135 4.320 0.006 0.000 0.219 41 A C 1.720 179.500 177.584 0.326 0.000 1.176 41 A CA 1.465 53.666 52.037 0.273 0.000 0.631 41 A CB -0.949 18.222 19.000 0.284 0.000 0.814 41 A HN 0.375 nan 8.150 nan 0.000 0.446 42 W N -0.644 120.747 121.300 0.152 0.000 2.518 42 W HA 0.233 4.897 4.660 0.006 0.000 0.273 42 W C 2.464 178.891 176.519 -0.153 0.000 1.247 42 W CA 0.780 58.119 57.345 -0.009 0.000 1.288 42 W CB -0.231 29.194 29.460 -0.059 0.000 1.107 42 W HN 0.339 nan 8.180 nan 0.000 0.586 43 A N 0.436 123.333 122.820 0.129 0.000 2.235 43 A HA 0.049 4.372 4.320 0.006 0.000 0.208 43 A C 1.883 179.456 177.584 -0.018 0.000 1.172 43 A CA 1.202 53.249 52.037 0.017 0.000 0.786 43 A CB -1.089 17.918 19.000 0.012 0.000 0.804 43 A HN 0.204 nan 8.150 nan 0.000 0.479 44 V N -2.456 117.467 119.914 0.014 0.000 2.759 44 V HA -0.133 3.991 4.120 0.006 0.000 0.256 44 V C 1.842 177.875 176.094 -0.102 0.000 1.080 44 V CA 1.647 63.968 62.300 0.036 0.000 1.101 44 V CB -0.922 31.003 31.823 0.170 0.000 0.698 44 V HN 0.477 nan 8.190 nan 0.000 0.477 45 L N -0.245 120.804 121.223 -0.289 0.000 2.465 45 L HA -0.002 4.342 4.340 0.006 0.000 0.224 45 L C 2.453 179.122 176.870 -0.335 0.000 1.145 45 L CA 1.184 55.708 54.840 -0.527 0.000 0.834 45 L CB -0.409 41.307 42.059 -0.572 0.000 0.944 45 L HN 0.432 nan 8.230 nan 0.000 0.451 46 Q N -0.578 119.107 119.800 -0.191 0.000 2.219 46 Q HA 0.123 4.466 4.340 0.006 0.000 0.209 46 Q C -0.024 175.923 176.000 -0.089 0.000 0.854 46 Q CA -0.218 55.505 55.803 -0.134 0.000 0.960 46 Q CB 0.616 29.293 28.738 -0.102 0.000 1.116 46 Q HN 0.481 nan 8.270 nan 0.000 0.500 47 E N 0.795 120.950 120.200 -0.075 0.000 2.442 47 E HA -0.066 4.288 4.350 0.006 0.000 0.260 47 E C 1.009 177.590 176.600 -0.030 0.000 1.148 47 E CA 0.454 56.837 56.400 -0.029 0.000 0.976 47 E CB 0.582 30.289 29.700 0.013 0.000 0.967 47 E HN 0.178 nan 8.360 nan 0.000 0.454 48 S N 1.473 117.167 115.700 -0.010 0.000 2.399 48 S HA -0.189 4.285 4.470 0.006 0.000 0.231 48 S C 1.165 175.766 174.600 0.003 0.000 1.022 48 S CA 1.309 59.505 58.200 -0.008 0.000 0.983 48 S CB -0.285 62.915 63.200 -0.001 0.000 0.803 48 S HN 0.613 nan 8.310 nan 0.000 0.480 49 N N 1.450 120.163 118.700 0.022 0.000 2.370 49 N HA 0.093 4.836 4.740 0.006 0.000 0.198 49 N C -0.358 175.190 175.510 0.063 0.000 1.156 49 N CA 0.019 53.097 53.050 0.047 0.000 0.839 49 N CB -0.058 38.470 38.487 0.068 0.000 0.989 49 N HN 0.370 nan 8.380 nan 0.000 0.468 50 V N 1.555 121.473 119.914 0.007 0.000 2.487 50 V HA 0.400 4.524 4.120 0.006 0.000 0.298 50 V C -2.209 173.846 176.094 -0.065 0.000 1.028 50 V CA -1.746 60.528 62.300 -0.043 0.000 0.860 50 V CB 1.857 33.541 31.823 -0.232 0.000 0.991 50 V HN -0.008 nan 8.190 nan 0.000 0.427 51 P HA 0.218 nan 4.420 nan 0.000 0.272 51 P C 0.241 177.492 177.300 -0.082 0.000 1.230 51 P CA -0.251 62.831 63.100 -0.029 0.000 0.788 51 P CB 0.770 32.480 31.700 0.016 0.000 0.949 52 D N -0.341 120.008 120.400 -0.085 0.000 2.149 52 D HA -0.084 4.559 4.640 0.006 0.000 0.198 52 D C 0.430 176.662 176.300 -0.114 0.000 0.990 52 D CA 1.558 55.484 54.000 -0.124 0.000 0.839 52 D CB -0.138 40.569 40.800 -0.154 0.000 0.948 52 D HN 0.108 nan 8.370 nan 0.000 0.460 53 L N 0.573 121.755 121.223 -0.068 0.000 2.406 53 L HA 0.349 4.692 4.340 0.006 0.000 0.270 53 L C -0.759 176.164 176.870 0.089 0.000 0.982 53 L CA -0.914 53.921 54.840 -0.008 0.000 0.843 53 L CB 1.748 43.776 42.059 -0.052 0.000 1.225 53 L HN -0.142 nan 8.230 nan 0.000 0.412 54 V N 1.895 121.909 119.914 0.165 0.000 3.103 54 V HA 0.694 4.817 4.120 0.006 0.000 0.318 54 V C -1.313 175.049 176.094 0.447 0.000 1.114 54 V CA -0.706 61.745 62.300 0.251 0.000 1.020 54 V CB 2.089 33.993 31.823 0.135 0.000 1.085 54 V HN 0.912 nan 8.190 nan 0.000 0.446 55 W N 2.303 123.697 121.300 0.157 0.000 2.532 55 W HA 0.651 5.315 4.660 0.006 0.000 0.321 55 W C -0.853 175.587 176.519 -0.131 0.000 1.037 55 W CA -0.189 57.091 57.345 -0.108 0.000 1.220 55 W CB 1.901 31.100 29.460 -0.435 0.000 1.361 55 W HN 0.921 nan 8.180 nan 0.000 0.468 56 T N 4.797 118.894 114.554 -0.762 0.000 2.895 56 T HA 0.424 4.777 4.350 0.006 0.000 0.283 56 T C 0.782 175.039 174.700 -0.738 0.000 1.014 56 T CA -0.413 61.376 62.100 -0.519 0.000 1.037 56 T CB 1.366 69.970 68.868 -0.441 0.000 1.006 56 T HN 0.649 nan 8.240 nan 0.000 0.468 57 R N 1.624 121.975 120.500 -0.249 0.000 2.312 57 R HA 0.259 4.603 4.340 0.006 0.000 0.205 57 R C 0.516 176.757 176.300 -0.100 0.000 0.904 57 R CA -0.286 55.774 56.100 -0.066 0.000 1.052 57 R CB -0.097 30.243 30.300 0.067 0.000 1.014 57 R HN 0.534 nan 8.270 nan 0.000 0.503 58 C N 1.674 120.880 119.300 -0.156 0.000 2.656 58 C HA 0.080 4.544 4.460 0.006 0.000 0.391 58 C C 0.725 175.702 174.990 -0.023 0.000 1.300 58 C CA -0.205 58.764 59.018 -0.082 0.000 2.302 58 C CB -0.166 27.521 27.740 -0.089 0.000 2.655 58 C HN 0.691 nan 8.230 nan 0.000 0.656 59 N N 0.716 119.440 118.700 0.041 0.000 2.714 59 N HA -0.132 4.611 4.740 0.006 0.000 0.253 59 N C 0.701 176.264 175.510 0.089 0.000 1.024 59 N CA 0.903 54.011 53.050 0.096 0.000 0.726 59 N CB -1.228 37.380 38.487 0.201 0.000 0.908 59 N HN 1.372 nan 8.380 nan 0.000 0.542 60 G N -1.675 107.156 108.800 0.052 0.000 2.234 60 G HA2 0.058 4.021 3.960 0.006 0.000 0.260 60 G HA3 0.058 4.021 3.960 0.006 0.000 0.260 60 G C 0.630 175.565 174.900 0.059 0.000 0.987 60 G CA 0.505 45.641 45.100 0.060 0.000 0.625 60 G HN 1.753 nan 8.290 nan 0.000 0.532 61 G N -0.922 107.860 108.800 -0.029 0.000 3.209 61 G HA2 0.578 4.542 3.960 0.006 0.000 0.686 61 G HA3 0.578 4.542 3.960 0.006 0.000 0.686 61 G C -0.544 174.022 174.900 -0.557 0.000 1.065 61 G CA 0.639 45.598 45.100 -0.235 0.000 0.812 61 G HN 2.943 nan 8.290 nan 0.000 0.573 62 H N -1.805 116.334 119.070 -1.551 0.000 3.005 62 H HA 0.576 5.136 4.556 0.006 0.000 0.311 62 H C -0.661 173.863 175.328 -1.340 0.000 1.366 62 H CA -1.554 53.691 56.048 -1.337 0.000 1.210 62 H CB -0.031 29.453 29.762 -0.463 0.000 1.894 62 H HN 0.716 nan 8.280 nan 0.000 0.520 63 W N 1.345 122.458 121.300 -0.311 0.000 2.150 63 W HA 0.535 5.198 4.660 0.006 0.000 0.341 63 W C -0.074 176.468 176.519 0.038 0.000 1.276 63 W CA -0.562 56.774 57.345 -0.014 0.000 1.238 63 W CB 0.742 30.327 29.460 0.208 0.000 1.128 63 W HN 0.424 nan 8.180 nan 0.000 0.581 64 I N 3.218 123.959 120.570 0.285 0.000 2.476 64 I HA 0.329 4.503 4.170 0.006 0.000 0.281 64 I C -0.121 176.038 176.117 0.070 0.000 1.040 64 I CA -1.051 60.333 61.300 0.140 0.000 1.094 64 I CB 0.908 38.916 38.000 0.013 0.000 1.219 64 I HN 0.424 nan 8.210 nan 0.000 0.450 65 A N 3.576 126.412 122.820 0.027 0.000 2.409 65 A HA 0.448 4.771 4.320 0.006 0.000 0.267 65 A C 1.098 178.634 177.584 -0.079 0.000 1.127 65 A CA -0.118 51.900 52.037 -0.032 0.000 0.795 65 A CB 0.208 19.174 19.000 -0.056 0.000 1.061 65 A HN 0.842 nan 8.150 nan 0.000 0.502 66 T N -0.092 114.391 114.554 -0.118 0.000 3.040 66 T HA 0.223 4.577 4.350 0.006 0.000 0.250 66 T C 0.649 175.269 174.700 -0.134 0.000 1.058 66 T CA -0.050 61.960 62.100 -0.150 0.000 0.988 66 T CB 0.052 68.792 68.868 -0.214 0.000 0.993 66 T HN 0.521 nan 8.240 nan 0.000 0.519 67 R N 0.209 120.628 120.500 -0.134 0.000 2.778 67 R HA 0.605 4.949 4.340 0.006 0.000 0.277 67 R C 1.438 177.665 176.300 -0.122 0.000 0.977 67 R CA -0.358 55.663 56.100 -0.131 0.000 0.950 67 R CB 1.190 31.397 30.300 -0.154 0.000 1.165 67 R HN 0.222 nan 8.270 nan 0.000 0.474 68 G N 0.606 109.342 108.800 -0.106 0.000 2.443 68 G HA2 -0.274 3.690 3.960 0.006 0.000 0.219 68 G HA3 -0.274 3.690 3.960 0.006 0.000 0.219 68 G C 1.098 175.930 174.900 -0.113 0.000 1.131 68 G CA 0.496 45.536 45.100 -0.100 0.000 0.775 68 G HN 0.450 nan 8.290 nan 0.000 0.547 69 Q N -0.113 119.615 119.800 -0.119 0.000 2.079 69 Q HA 0.034 4.377 4.340 0.006 0.000 0.200 69 Q C 2.294 178.218 176.000 -0.127 0.000 0.974 69 Q CA 1.106 56.842 55.803 -0.113 0.000 0.840 69 Q CB -0.350 28.318 28.738 -0.117 0.000 0.898 69 Q HN 0.383 nan 8.270 nan 0.000 0.430 70 L N -0.417 120.684 121.223 -0.203 0.000 2.072 70 L HA -0.008 4.335 4.340 0.006 0.000 0.205 70 L C 2.192 179.047 176.870 -0.026 0.000 1.079 70 L CA 1.077 55.811 54.840 -0.176 0.000 0.752 70 L CB -0.454 41.437 42.059 -0.280 0.000 0.906 70 L HN 0.247 nan 8.230 nan 0.000 0.436 71 I N -0.736 119.776 120.570 -0.096 0.000 2.163 71 I HA -0.341 3.833 4.170 0.006 0.000 0.243 71 I C 2.639 178.717 176.117 -0.065 0.000 1.085 71 I CA 1.354 62.584 61.300 -0.117 0.000 1.347 71 I CB -0.231 37.736 38.000 -0.055 0.000 1.044 71 I HN 0.202 nan 8.210 nan 0.000 0.408 72 R N 0.418 120.860 120.500 -0.097 0.000 2.066 72 R HA -0.160 4.184 4.340 0.006 0.000 0.232 72 R C 2.224 178.563 176.300 0.064 0.000 1.131 72 R CA 1.413 57.377 56.100 -0.226 0.000 0.955 72 R CB -0.332 29.692 30.300 -0.460 0.000 0.851 72 R HN 0.411 nan 8.270 nan 0.000 0.432 73 E N 0.455 120.722 120.200 0.110 0.000 2.077 73 E HA -0.185 4.168 4.350 0.006 0.000 0.193 73 E C 2.069 178.808 176.600 0.232 0.000 0.989 73 E CA 1.209 57.760 56.400 0.251 0.000 0.800 73 E CB -0.096 29.827 29.700 0.371 0.000 0.746 73 E HN 0.382 nan 8.360 nan 0.000 0.452 74 A N 0.426 123.245 122.820 -0.001 0.000 1.898 74 A HA -0.181 4.143 4.320 0.006 0.000 0.216 74 A C 1.783 179.238 177.584 -0.214 0.000 1.181 74 A CA 1.175 52.900 52.037 -0.521 0.000 0.620 74 A CB -0.714 17.447 19.000 -1.399 0.000 0.819 74 A HN 0.263 nan 8.150 nan 0.000 0.442 75 Y N 0.507 120.825 120.300 0.030 0.000 2.333 75 Y HA -0.122 4.431 4.550 0.006 0.000 0.290 75 Y C 2.336 178.401 175.900 0.275 0.000 1.144 75 Y CA 1.443 59.647 58.100 0.173 0.000 1.228 75 Y CB -0.304 38.298 38.460 0.236 0.000 0.985 75 Y HN 0.493 nan 8.280 nan 0.000 0.542 76 E N -0.864 119.593 120.200 0.429 0.000 2.158 76 E HA -0.122 4.231 4.350 0.006 0.000 0.191 76 E C 0.404 177.163 176.600 0.265 0.000 0.982 76 E CA 0.775 57.381 56.400 0.343 0.000 0.823 76 E CB 0.059 29.944 29.700 0.309 0.000 0.766 76 E HN 0.126 nan 8.360 nan 0.000 0.468 77 D N 0.293 120.843 120.400 0.250 0.000 2.522 77 D HA -0.017 4.626 4.640 0.006 0.000 0.218 77 D C 0.101 176.485 176.300 0.139 0.000 1.149 77 D CA -0.361 53.721 54.000 0.136 0.000 0.981 77 D CB -0.069 40.903 40.800 0.287 0.000 1.041 77 D HN 0.199 nan 8.370 nan 0.000 0.518 78 Y N 0.931 121.306 120.300 0.125 0.000 2.546 78 Y HA 0.230 4.783 4.550 0.006 0.000 0.287 78 Y C 1.712 177.605 175.900 -0.010 0.000 1.158 78 Y CA -0.026 58.137 58.100 0.105 0.000 1.307 78 Y CB -0.152 38.384 38.460 0.127 0.000 1.036 78 Y HN 0.063 nan 8.280 nan 0.000 0.532 79 R N -0.116 120.185 120.500 -0.332 0.000 2.093 79 R HA -0.024 4.320 4.340 0.006 0.000 0.224 79 R C 1.240 177.254 176.300 -0.477 0.000 1.101 79 R CA 1.669 57.541 56.100 -0.381 0.000 0.979 79 R CB -0.425 29.558 30.300 -0.528 0.000 0.877 79 R HN 0.568 nan 8.270 nan 0.000 0.441 80 H N -1.166 117.689 119.070 -0.358 0.000 2.370 80 H HA 0.093 4.653 4.556 0.006 0.000 0.304 80 H C -0.079 174.904 175.328 -0.574 0.000 1.055 80 H CA 0.449 56.120 56.048 -0.628 0.000 1.373 80 H CB 0.278 29.300 29.762 -1.233 0.000 1.423 80 H HN -0.045 nan 8.280 nan 0.000 0.533 81 F N 1.123 121.077 119.950 0.006 0.000 2.293 81 F HA 0.299 4.829 4.527 0.006 0.000 0.370 81 F C 0.258 176.094 175.800 0.061 0.000 1.090 81 F CA -0.664 57.340 58.000 0.006 0.000 1.133 81 F CB 1.272 40.228 39.000 -0.073 0.000 1.360 81 F HN -0.072 nan 8.300 nan 0.000 0.489 82 S N 1.161 116.973 115.700 0.186 0.000 2.585 82 S HA 0.251 4.724 4.470 0.006 0.000 0.277 82 S C 1.097 175.766 174.600 0.115 0.000 1.241 82 S CA -0.496 57.795 58.200 0.152 0.000 1.041 82 S CB 1.245 64.504 63.200 0.098 0.000 0.987 82 S HN 0.549 nan 8.310 nan 0.000 0.512 83 S N 2.480 118.234 115.700 0.089 0.000 2.603 83 S HA 0.032 4.506 4.470 0.006 0.000 0.220 83 S C 1.572 176.160 174.600 -0.020 0.000 0.967 83 S CA 0.124 58.316 58.200 -0.014 0.000 0.920 83 S CB -0.224 62.911 63.200 -0.108 0.000 0.773 83 S HN 0.853 nan 8.310 nan 0.000 0.529 84 E N 0.061 120.278 120.200 0.029 0.000 2.171 84 E HA -0.180 4.174 4.350 0.006 0.000 0.197 84 E C 0.388 176.987 176.600 -0.001 0.000 0.997 84 E CA 0.781 57.199 56.400 0.029 0.000 0.810 84 E CB 0.086 29.811 29.700 0.041 0.000 0.738 84 E HN 0.402 nan 8.360 nan 0.000 0.467 85 C N 1.375 120.662 119.300 -0.022 0.000 3.002 85 C HA 0.408 4.872 4.460 0.006 0.000 0.248 85 C C -1.987 172.951 174.990 -0.088 0.000 1.153 85 C CA -1.499 57.488 59.018 -0.053 0.000 1.502 85 C CB 0.881 28.621 27.740 -0.001 0.000 1.805 85 C HN 0.271 nan 8.230 nan 0.000 0.450 86 P HA 0.165 nan 4.420 nan 0.000 0.257 86 P C -0.017 177.320 177.300 0.061 0.000 1.241 86 P CA 0.342 63.348 63.100 -0.158 0.000 0.816 86 P CB 0.344 31.834 31.700 -0.351 0.000 1.150 87 F N 0.526 120.269 119.950 -0.345 0.000 2.470 87 F HA 0.400 4.931 4.527 0.006 0.000 0.329 87 F C 0.788 176.479 175.800 -0.181 0.000 1.072 87 F CA -2.261 55.581 58.000 -0.262 0.000 0.989 87 F CB 0.950 39.751 39.000 -0.332 0.000 1.193 87 F HN -0.303 nan 8.300 nan 0.000 0.481 88 I N 5.246 125.807 120.570 -0.015 0.000 2.328 88 I HA 0.334 4.508 4.170 0.006 0.000 0.287 88 I C -2.271 173.912 176.117 0.109 0.000 1.012 88 I CA -3.157 58.113 61.300 -0.051 0.000 1.195 88 I CB 0.722 38.552 38.000 -0.284 0.000 1.350 88 I HN 0.256 nan 8.210 nan 0.000 0.464 89 P HA 0.446 nan 4.420 nan 0.000 0.288 89 P C 0.598 177.919 177.300 0.035 0.000 1.297 89 P CA -0.788 62.349 63.100 0.061 0.000 0.864 89 P CB 1.788 33.521 31.700 0.055 0.000 1.237 90 R N 0.690 121.212 120.500 0.036 0.000 2.096 90 R HA -0.142 4.202 4.340 0.006 0.000 0.235 90 R C 1.926 178.239 176.300 0.021 0.000 1.127 90 R CA 1.724 57.843 56.100 0.031 0.000 0.968 90 R CB -0.186 30.143 30.300 0.049 0.000 0.861 90 R HN 0.493 nan 8.270 nan 0.000 0.440 91 E N 0.258 120.476 120.200 0.030 0.000 2.204 91 E HA -0.144 4.210 4.350 0.006 0.000 0.194 91 E C 1.635 178.249 176.600 0.024 0.000 0.989 91 E CA 1.229 57.649 56.400 0.034 0.000 0.824 91 E CB -0.261 29.467 29.700 0.047 0.000 0.756 91 E HN 0.415 nan 8.360 nan 0.000 0.477 92 A N 1.973 124.791 122.820 -0.003 0.000 1.872 92 A HA 0.054 4.378 4.320 0.006 0.000 0.214 92 A C 2.594 179.962 177.584 -0.361 0.000 1.187 92 A CA 1.686 53.620 52.037 -0.171 0.000 0.614 92 A CB -1.304 17.642 19.000 -0.089 0.000 0.826 92 A HN 0.402 nan 8.150 nan 0.000 0.442 93 G N -0.292 108.414 108.800 -0.156 0.000 2.442 93 G HA2 -0.237 3.726 3.960 0.006 0.000 0.219 93 G HA3 -0.237 3.726 3.960 0.006 0.000 0.219 93 G C 1.418 176.264 174.900 -0.090 0.000 1.141 93 G CA 1.093 46.108 45.100 -0.142 0.000 0.763 93 G HN 0.670 nan 8.290 nan 0.000 0.554 94 E N 0.447 120.623 120.200 -0.040 0.000 2.072 94 E HA 0.018 4.372 4.350 0.006 0.000 0.191 94 E C 2.877 179.479 176.600 0.004 0.000 0.985 94 E CA 0.748 57.146 56.400 -0.004 0.000 0.801 94 E CB -0.159 29.550 29.700 0.016 0.000 0.750 94 E HN 0.420 nan 8.360 nan 0.000 0.452 95 A N 0.873 123.700 122.820 0.011 0.000 2.014 95 A HA -0.122 4.201 4.320 0.006 0.000 0.218 95 A C 0.770 178.381 177.584 0.045 0.000 1.163 95 A CA 0.173 52.250 52.037 0.067 0.000 0.652 95 A CB -0.502 18.615 19.000 0.195 0.000 0.808 95 A HN 0.309 nan 8.150 nan 0.000 0.449 96 Y N 2.511 122.669 120.300 -0.238 0.000 2.770 96 Y HA 0.136 4.690 4.550 0.006 0.000 0.342 96 Y C 0.155 175.902 175.900 -0.255 0.000 1.221 96 Y CA 0.058 57.934 58.100 -0.375 0.000 1.560 96 Y CB 0.377 38.427 38.460 -0.684 0.000 1.213 96 Y HN 0.458 nan 8.280 nan 0.000 0.525 97 D N 4.118 124.244 120.400 -0.456 0.000 2.692 97 D HA 0.041 4.685 4.640 0.006 0.000 0.290 97 D C -0.634 175.559 176.300 -0.180 0.000 1.455 97 D CA -0.403 53.488 54.000 -0.183 0.000 0.796 97 D CB -1.026 39.724 40.800 -0.083 0.000 1.131 97 D HN 0.146 nan 8.370 nan 0.000 0.467 98 F N 1.050 120.776 119.950 -0.373 0.000 2.545 98 F HA 0.287 4.818 4.527 0.006 0.000 0.348 98 F C 1.186 176.945 175.800 -0.068 0.000 1.163 98 F CA -0.428 57.440 58.000 -0.219 0.000 1.331 98 F CB 0.522 39.298 39.000 -0.372 0.000 1.138 98 F HN -0.080 nan 8.300 nan 0.000 0.602 99 I N 4.688 125.358 120.570 0.167 0.000 2.382 99 I HA 0.225 4.398 4.170 0.006 0.000 0.285 99 I C -1.939 174.224 176.117 0.078 0.000 1.007 99 I CA -1.430 59.884 61.300 0.023 0.000 1.142 99 I CB 2.084 39.961 38.000 -0.205 0.000 1.289 99 I HN 0.374 nan 8.210 nan 0.000 0.453 100 P HA 0.140 nan 4.420 nan 0.000 0.286 100 P C 1.133 178.599 177.300 0.276 0.000 1.269 100 P CA 0.176 63.364 63.100 0.145 0.000 0.908 100 P CB 0.507 32.295 31.700 0.147 0.000 1.395 101 T N -0.047 114.697 114.554 0.316 0.000 2.833 101 T HA -0.107 4.247 4.350 0.006 0.000 0.269 101 T C 1.701 176.511 174.700 0.183 0.000 1.054 101 T CA 2.001 64.275 62.100 0.290 0.000 1.135 101 T CB -0.687 68.373 68.868 0.319 0.000 0.869 101 T HN 0.227 nan 8.240 nan 0.000 0.466 102 S N 0.058 115.931 115.700 0.289 0.000 2.650 102 S HA 0.287 4.761 4.470 0.006 0.000 0.219 102 S C 0.477 175.151 174.600 0.123 0.000 0.960 102 S CA -0.310 58.008 58.200 0.196 0.000 0.925 102 S CB -0.557 62.795 63.200 0.252 0.000 0.775 102 S HN 0.346 nan 8.310 nan 0.000 0.525 103 M N 1.735 121.436 119.600 0.167 0.000 2.578 103 M HA 0.515 4.998 4.480 0.006 0.000 0.321 103 M C -0.980 175.448 176.300 0.213 0.000 1.182 103 M CA -0.675 54.708 55.300 0.139 0.000 0.965 103 M CB 1.584 34.236 32.600 0.086 0.000 1.694 103 M HN 0.046 nan 8.290 nan 0.000 0.461 104 D N 1.497 121.970 120.400 0.121 0.000 2.299 104 D HA 0.469 5.112 4.640 0.006 0.000 0.243 104 D C -2.550 173.698 176.300 -0.086 0.000 0.982 104 D CA -1.314 52.722 54.000 0.060 0.000 0.924 104 D CB 1.445 42.305 40.800 0.100 0.000 1.238 104 D HN 0.172 nan 8.370 nan 0.000 0.484 105 P HA 0.151 nan 4.420 nan 0.000 0.271 105 P C -1.953 175.265 177.300 -0.137 0.000 1.226 105 P CA -0.875 62.015 63.100 -0.351 0.000 0.765 105 P CB 0.696 31.952 31.700 -0.739 0.000 0.835 106 P HA 0.037 nan 4.420 nan 0.000 0.225 106 P C 1.319 178.614 177.300 -0.009 0.000 1.142 106 P CA 0.507 63.595 63.100 -0.021 0.000 0.894 106 P CB 0.506 32.218 31.700 0.019 0.000 0.895 107 E N 0.849 121.068 120.200 0.031 0.000 2.130 107 E HA -0.262 4.092 4.350 0.006 0.000 0.196 107 E C 2.254 178.948 176.600 0.157 0.000 0.998 107 E CA 1.124 57.579 56.400 0.092 0.000 0.806 107 E CB -0.216 29.551 29.700 0.112 0.000 0.738 107 E HN 0.131 nan 8.360 nan 0.000 0.459 108 Q N 0.517 120.370 119.800 0.089 0.000 2.112 108 Q HA -0.250 4.094 4.340 0.006 0.000 0.206 108 Q C 2.181 178.238 176.000 0.094 0.000 0.987 108 Q CA 1.628 57.488 55.803 0.095 0.000 0.858 108 Q CB -0.088 28.603 28.738 -0.078 0.000 0.905 108 Q HN 0.299 nan 8.270 nan 0.000 0.420 109 R N 0.326 120.823 120.500 -0.006 0.000 2.119 109 R HA -0.228 4.116 4.340 0.006 0.000 0.246 109 R C 2.493 178.779 176.300 -0.024 0.000 1.146 109 R CA 2.101 58.179 56.100 -0.036 0.000 0.962 109 R CB -0.575 29.689 30.300 -0.060 0.000 0.863 109 R HN 0.631 nan 8.270 nan 0.000 0.442 110 Q N -0.208 119.556 119.800 -0.060 0.000 2.124 110 Q HA -0.132 4.212 4.340 0.006 0.000 0.202 110 Q C 1.774 177.639 176.000 -0.225 0.000 0.977 110 Q CA 1.483 57.167 55.803 -0.198 0.000 0.850 110 Q CB -0.409 28.122 28.738 -0.345 0.000 0.901 110 Q HN 0.308 nan 8.270 nan 0.000 0.429 111 F N 1.180 121.122 119.950 -0.013 0.000 2.293 111 F HA 0.079 4.609 4.527 0.006 0.000 0.297 111 F C 2.697 178.496 175.800 -0.002 0.000 1.089 111 F CA 0.907 58.907 58.000 0.000 0.000 1.377 111 F CB -0.142 38.869 39.000 0.018 0.000 1.051 111 F HN -0.004 nan 8.300 nan 0.000 0.511 112 R N 0.777 121.369 120.500 0.152 0.000 2.092 112 R HA -0.109 4.235 4.340 0.006 0.000 0.231 112 R C 2.326 178.648 176.300 0.036 0.000 1.119 112 R CA 1.183 57.326 56.100 0.071 0.000 0.970 112 R CB -0.425 29.880 30.300 0.008 0.000 0.864 112 R HN 0.237 nan 8.270 nan 0.000 0.440 113 A N 1.156 123.981 122.820 0.008 0.000 1.940 113 A HA -0.172 4.151 4.320 0.006 0.000 0.219 113 A C 1.992 179.577 177.584 0.000 0.000 1.176 113 A CA 1.219 53.251 52.037 -0.009 0.000 0.631 113 A CB -0.534 18.445 19.000 -0.034 0.000 0.814 113 A HN 0.384 nan 8.150 nan 0.000 0.446 114 L N -0.381 120.847 121.223 0.008 0.000 2.056 114 L HA 0.044 4.388 4.340 0.006 0.000 0.207 114 L C 2.629 179.526 176.870 0.044 0.000 1.078 114 L CA 2.119 56.971 54.840 0.019 0.000 0.749 114 L CB -0.973 41.107 42.059 0.035 0.000 0.901 114 L HN 0.321 nan 8.230 nan 0.000 0.433 115 A N -0.513 122.347 122.820 0.067 0.000 1.933 115 A HA -0.238 4.086 4.320 0.006 0.000 0.218 115 A C 2.170 179.784 177.584 0.050 0.000 1.175 115 A CA 1.671 53.749 52.037 0.069 0.000 0.628 115 A CB -0.906 18.142 19.000 0.081 0.000 0.814 115 A HN 0.585 nan 8.150 nan 0.000 0.444 116 N N 0.355 119.077 118.700 0.037 0.000 2.223 116 N HA -0.211 4.532 4.740 0.006 0.000 0.185 116 N C 1.928 177.453 175.510 0.025 0.000 1.016 116 N CA 1.729 54.797 53.050 0.030 0.000 0.863 116 N CB -0.386 38.112 38.487 0.019 0.000 0.983 116 N HN 0.771 nan 8.380 nan 0.000 0.429 117 Q N -0.143 119.669 119.800 0.019 0.000 2.297 117 Q HA -0.052 4.291 4.340 0.006 0.000 0.204 117 Q C 1.484 177.493 176.000 0.015 0.000 0.962 117 Q CA 1.505 57.314 55.803 0.011 0.000 0.879 117 Q CB 0.012 28.751 28.738 0.003 0.000 0.947 117 Q HN 0.284 nan 8.270 nan 0.000 0.462 118 V N -2.008 117.921 119.914 0.026 0.000 3.644 118 V HA 0.147 4.271 4.120 0.006 0.000 0.267 118 V C 1.587 177.704 176.094 0.038 0.000 1.277 118 V CA 0.405 62.720 62.300 0.025 0.000 1.096 118 V CB 0.677 32.519 31.823 0.030 0.000 0.828 118 V HN 0.362 nan 8.190 nan 0.000 0.446 119 V N -2.453 117.492 119.914 0.052 0.000 3.502 119 V HA 0.663 4.787 4.120 0.006 0.000 0.288 119 V C 1.336 177.465 176.094 0.058 0.000 1.461 119 V CA 0.333 62.671 62.300 0.064 0.000 1.029 119 V CB -0.671 31.201 31.823 0.082 0.000 0.843 119 V HN 0.449 nan 8.190 nan 0.000 0.438 120 G N 0.184 109.018 108.800 0.057 0.000 2.647 120 G HA2 0.189 4.153 3.960 0.006 0.000 0.271 120 G HA3 0.189 4.153 3.960 0.006 0.000 0.271 120 G C 0.581 175.516 174.900 0.059 0.000 1.300 120 G CA 0.448 45.596 45.100 0.080 0.000 0.997 120 G HN 0.219 nan 8.290 nan 0.000 0.533 121 M N 0.733 120.345 119.600 0.019 0.000 2.080 121 M HA -0.000 4.483 4.480 0.006 0.000 0.260 121 M C -0.146 176.129 176.300 -0.042 0.000 1.068 121 M CA 1.783 57.043 55.300 -0.068 0.000 1.109 121 M CB -0.942 31.509 32.600 -0.248 0.000 1.342 121 M HN 0.326 nan 8.290 nan 0.000 0.405 122 P HA -0.143 nan 4.420 nan 0.000 0.216 122 P C 1.692 178.985 177.300 -0.012 0.000 1.153 122 P CA 1.464 64.550 63.100 -0.025 0.000 0.858 122 P CB -0.228 31.459 31.700 -0.023 0.000 0.789 123 V N -0.807 119.105 119.914 -0.003 0.000 2.548 123 V HA -0.146 3.977 4.120 0.006 0.000 0.249 123 V C 2.494 178.592 176.094 0.007 0.000 1.055 123 V CA 1.327 63.628 62.300 0.000 0.000 1.065 123 V CB -1.079 30.747 31.823 0.005 0.000 0.681 123 V HN -0.041 nan 8.190 nan 0.000 0.462 124 V N 0.341 120.266 119.914 0.017 0.000 2.343 124 V HA -0.271 3.853 4.120 0.006 0.000 0.247 124 V C 2.320 178.425 176.094 0.017 0.000 1.051 124 V CA 2.183 64.499 62.300 0.026 0.000 1.036 124 V CB -0.711 31.138 31.823 0.043 0.000 0.654 124 V HN 0.541 nan 8.190 nan 0.000 0.451 125 D N 0.122 120.525 120.400 0.005 0.000 2.123 125 D HA -0.176 4.467 4.640 0.006 0.000 0.196 125 D C 2.250 178.553 176.300 0.004 0.000 0.992 125 D CA 1.334 55.335 54.000 0.002 0.000 0.833 125 D CB -0.234 40.561 40.800 -0.009 0.000 0.954 125 D HN 0.432 nan 8.370 nan 0.000 0.455 126 K N 0.030 120.430 120.400 0.000 0.000 2.097 126 K HA 0.003 4.327 4.320 0.006 0.000 0.205 126 K C 2.006 178.608 176.600 0.002 0.000 1.050 126 K CA 0.496 56.782 56.287 -0.002 0.000 0.938 126 K CB -0.018 32.477 32.500 -0.008 0.000 0.718 126 K HN 0.184 nan 8.250 nan 0.000 0.442 127 L N 0.735 121.961 121.223 0.005 0.000 2.599 127 L HA -0.016 4.327 4.340 0.006 0.000 0.230 127 L C 2.175 179.061 176.870 0.028 0.000 1.141 127 L CA 0.186 55.031 54.840 0.007 0.000 0.877 127 L CB -0.258 41.800 42.059 -0.001 0.000 1.009 127 L HN 0.277 nan 8.230 nan 0.000 0.447 128 E N 1.069 121.289 120.200 0.033 0.000 2.048 128 E HA -0.284 4.069 4.350 0.006 0.000 0.202 128 E C 1.751 178.385 176.600 0.056 0.000 1.021 128 E CA 1.881 58.309 56.400 0.047 0.000 0.825 128 E CB 0.164 29.885 29.700 0.035 0.000 0.756 128 E HN 0.472 nan 8.360 nan 0.000 0.454 129 N N 0.236 118.961 118.700 0.041 0.000 2.043 129 N HA -0.157 4.586 4.740 0.006 0.000 0.193 129 N C 1.832 177.374 175.510 0.054 0.000 1.037 129 N CA 1.192 54.267 53.050 0.042 0.000 0.851 129 N CB -0.389 38.115 38.487 0.028 0.000 1.027 129 N HN 0.167 nan 8.380 nan 0.000 0.422 130 R N 0.912 121.441 120.500 0.047 0.000 2.096 130 R HA 0.022 4.366 4.340 0.006 0.000 0.235 130 R C 2.370 178.732 176.300 0.102 0.000 1.127 130 R CA 0.497 56.630 56.100 0.055 0.000 0.968 130 R CB -0.931 29.385 30.300 0.027 0.000 0.861 130 R HN 0.377 nan 8.270 nan 0.000 0.440 131 I N 0.962 121.599 120.570 0.112 0.000 2.179 131 I HA -0.305 3.868 4.170 0.006 0.000 0.242 131 I C 2.714 179.022 176.117 0.318 0.000 1.088 131 I CA 1.302 62.732 61.300 0.216 0.000 1.357 131 I CB -0.284 37.818 38.000 0.170 0.000 1.051 131 I HN 0.103 nan 8.210 nan 0.000 0.409 132 Q N 1.203 121.119 119.800 0.193 0.000 2.061 132 Q HA -0.280 4.063 4.340 0.006 0.000 0.204 132 Q C 2.124 178.191 176.000 0.112 0.000 0.984 132 Q CA 1.956 57.842 55.803 0.138 0.000 0.846 132 Q CB -0.315 28.477 28.738 0.090 0.000 0.902 132 Q HN 0.359 nan 8.270 nan 0.000 0.421 133 E N -0.252 120.008 120.200 0.100 0.000 2.038 133 E HA -0.203 4.150 4.350 0.006 0.000 0.195 133 E C 1.955 178.609 176.600 0.089 0.000 1.000 133 E CA 1.498 57.943 56.400 0.075 0.000 0.803 133 E CB -0.408 29.328 29.700 0.060 0.000 0.750 133 E HN 0.417 nan 8.360 nan 0.000 0.448 134 L N 0.947 122.255 121.223 0.142 0.000 2.046 134 L HA -0.124 4.219 4.340 0.006 0.000 0.208 134 L C 2.430 179.384 176.870 0.140 0.000 1.077 134 L CA 2.370 57.312 54.840 0.170 0.000 0.747 134 L CB -0.873 41.329 42.059 0.238 0.000 0.896 134 L HN 0.161 nan 8.230 nan 0.000 0.432 135 A N -1.436 121.438 122.820 0.090 0.000 1.877 135 A HA -0.246 4.078 4.320 0.006 0.000 0.216 135 A C 2.404 179.988 177.584 -0.001 0.000 1.186 135 A CA 1.843 53.778 52.037 -0.169 0.000 0.620 135 A CB -1.501 17.295 19.000 -0.340 0.000 0.822 135 A HN 0.624 nan 8.150 nan 0.000 0.443 136 C N -1.300 118.001 119.300 0.002 0.000 2.413 136 C HA -0.081 4.382 4.460 0.006 0.000 0.276 136 C C 3.284 178.266 174.990 -0.013 0.000 1.248 136 C CA 1.428 60.435 59.018 -0.018 0.000 1.742 136 C CB -1.214 26.523 27.740 -0.005 0.000 2.017 136 C HN 0.670 nan 8.230 nan 0.000 0.481 137 S N 0.093 115.804 115.700 0.019 0.000 2.348 137 S HA -0.090 4.383 4.470 0.006 0.000 0.221 137 S C 1.768 176.387 174.600 0.031 0.000 1.033 137 S CA 1.348 59.562 58.200 0.023 0.000 1.010 137 S CB -0.275 62.949 63.200 0.039 0.000 0.891 137 S HN 0.578 nan 8.310 nan 0.000 0.442 138 L N 0.782 122.044 121.223 0.064 0.000 2.056 138 L HA -0.071 4.272 4.340 0.006 0.000 0.207 138 L C 2.301 179.222 176.870 0.085 0.000 1.078 138 L CA 1.229 56.130 54.840 0.101 0.000 0.749 138 L CB -0.498 41.654 42.059 0.156 0.000 0.901 138 L HN 0.376 nan 8.230 nan 0.000 0.433 139 I N -0.358 120.232 120.570 0.033 0.000 2.226 139 I HA -0.272 3.901 4.170 0.006 0.000 0.245 139 I C 2.558 178.539 176.117 -0.227 0.000 1.100 139 I CA 1.018 62.191 61.300 -0.210 0.000 1.374 139 I CB -0.246 37.543 38.000 -0.351 0.000 1.057 139 I HN 0.251 nan 8.210 nan 0.000 0.413 140 E N 0.852 120.975 120.200 -0.128 0.000 2.118 140 E HA -0.228 4.126 4.350 0.006 0.000 0.195 140 E C 2.221 178.797 176.600 -0.041 0.000 0.992 140 E CA 1.737 58.083 56.400 -0.090 0.000 0.804 140 E CB -0.220 29.445 29.700 -0.057 0.000 0.741 140 E HN 0.238 nan 8.360 nan 0.000 0.458 141 S N -1.016 114.679 115.700 -0.009 0.000 2.383 141 S HA 0.007 4.480 4.470 0.006 0.000 0.227 141 S C 1.756 176.387 174.600 0.052 0.000 1.026 141 S CA 0.953 59.168 58.200 0.024 0.000 0.981 141 S CB -0.168 63.056 63.200 0.039 0.000 0.818 141 S HN 0.334 nan 8.310 nan 0.000 0.472 142 L N 0.685 121.945 121.223 0.062 0.000 2.240 142 L HA 0.085 4.428 4.340 0.006 0.000 0.211 142 L C 2.667 179.710 176.870 0.287 0.000 1.106 142 L CA 0.584 55.526 54.840 0.171 0.000 0.793 142 L CB -0.489 41.694 42.059 0.206 0.000 0.927 142 L HN 0.276 nan 8.230 nan 0.000 0.446 143 R N 0.965 121.534 120.500 0.115 0.000 2.115 143 R HA -0.198 4.146 4.340 0.006 0.000 0.239 143 R C -0.497 176.018 176.300 0.359 0.000 1.133 143 R CA 2.362 58.546 56.100 0.139 0.000 0.935 143 R CB -1.262 28.986 30.300 -0.087 0.000 0.853 143 R HN 0.242 nan 8.270 nan 0.000 0.433 144 P HA -0.117 nan 4.420 nan 0.000 0.222 144 P C 0.511 177.845 177.300 0.056 0.000 1.147 144 P CA 1.347 64.514 63.100 0.111 0.000 0.790 144 P CB -0.111 31.621 31.700 0.053 0.000 0.780 145 Q N -0.922 118.900 119.800 0.037 0.000 2.230 145 Q HA 0.076 4.420 4.340 0.006 0.000 0.202 145 Q C 1.599 177.398 176.000 -0.334 0.000 0.963 145 Q CA 0.964 56.709 55.803 -0.098 0.000 0.866 145 Q CB -0.510 28.184 28.738 -0.074 0.000 0.931 145 Q HN 0.267 nan 8.270 nan 0.000 0.452 146 G N 1.371 109.773 108.800 -0.663 0.000 2.162 146 G HA2 -0.304 3.660 3.960 0.006 0.000 0.260 146 G HA3 -0.304 3.660 3.960 0.006 0.000 0.260 146 G C -0.093 173.821 174.900 -1.642 0.000 0.976 146 G CA 0.677 44.959 45.100 -1.363 0.000 0.655 146 G HN 0.460 nan 8.290 nan 0.000 0.533 147 Q N -1.665 117.248 119.800 -1.478 0.000 2.647 147 Q HA 0.636 4.979 4.340 0.006 0.000 0.283 147 Q C -0.323 175.527 176.000 -0.250 0.000 0.943 147 Q CA -0.771 54.535 55.803 -0.829 0.000 0.813 147 Q CB 1.382 29.911 28.738 -0.349 0.000 1.477 147 Q HN 1.319 nan 8.270 nan 0.000 0.393 148 C N -0.764 118.609 119.300 0.121 0.000 3.320 148 C HA 0.676 5.139 4.460 0.006 0.000 0.335 148 C C -1.430 173.696 174.990 0.227 0.000 1.430 148 C CA -0.884 58.291 59.018 0.261 0.000 1.271 148 C CB 1.484 29.526 27.740 0.503 0.000 1.609 148 C HN 0.892 nan 8.230 nan 0.000 0.457 149 N N 0.916 119.729 118.700 0.188 0.000 2.609 149 N HA 0.266 5.010 4.740 0.006 0.000 0.234 149 N C 0.038 175.660 175.510 0.187 0.000 1.001 149 N CA -0.322 52.822 53.050 0.157 0.000 0.926 149 N CB 0.927 39.471 38.487 0.094 0.000 1.130 149 N HN 0.777 nan 8.380 nan 0.000 0.510 150 F N 2.208 122.211 119.950 0.090 0.000 2.161 150 F HA -0.211 4.319 4.527 0.005 0.000 0.300 150 F C 2.202 178.040 175.800 0.064 0.000 1.089 150 F CA 1.510 59.550 58.000 0.067 0.000 1.282 150 F CB 0.171 39.136 39.000 -0.059 0.000 1.010 150 F HN 0.291 nan 8.300 nan 0.000 0.485 151 T N -0.498 114.107 114.554 0.085 0.000 2.701 151 T HA -0.219 4.135 4.350 0.006 0.000 0.263 151 T C 1.941 176.595 174.700 -0.076 0.000 1.040 151 T CA 1.720 63.816 62.100 -0.006 0.000 1.147 151 T CB -0.265 68.631 68.868 0.048 0.000 0.865 151 T HN 0.446 nan 8.240 nan 0.000 0.426 152 E N -0.090 120.095 120.200 -0.025 0.000 2.112 152 E HA -0.120 4.234 4.350 0.006 0.000 0.190 152 E C 1.298 177.879 176.600 -0.032 0.000 0.979 152 E CA 0.993 57.382 56.400 -0.019 0.000 0.814 152 E CB 0.116 29.825 29.700 0.015 0.000 0.762 152 E HN 0.344 nan 8.360 nan 0.000 0.460 153 D N -1.317 119.069 120.400 -0.023 0.000 2.333 153 D HA -0.031 4.613 4.640 0.006 0.000 0.208 153 D C 0.684 176.991 176.300 0.011 0.000 0.984 153 D CA 0.677 54.691 54.000 0.023 0.000 0.873 153 D CB 0.382 41.251 40.800 0.115 0.000 0.935 153 D HN 0.278 nan 8.370 nan 0.000 0.521 154 Y N -0.206 119.900 120.300 -0.323 0.000 3.006 154 Y HA 0.327 4.881 4.550 0.007 0.000 0.236 154 Y C 2.001 177.687 175.900 -0.358 0.000 1.088 154 Y CA 0.568 58.449 58.100 -0.365 0.000 1.307 154 Y CB -0.191 37.929 38.460 -0.567 0.000 1.445 154 Y HN -0.146 nan 8.280 nan 0.000 0.433 155 A N 0.944 123.476 122.820 -0.480 0.000 1.892 155 A HA -0.213 4.110 4.320 0.006 0.000 0.218 155 A C 1.826 179.348 177.584 -0.104 0.000 1.188 155 A CA 2.413 54.340 52.037 -0.184 0.000 0.631 155 A CB -0.657 18.277 19.000 -0.109 0.000 0.822 155 A HN 0.678 nan 8.150 nan 0.000 0.447 156 E N -0.737 119.388 120.200 -0.124 0.000 2.016 156 E HA -0.097 4.257 4.350 0.006 0.000 0.190 156 E C -0.509 176.038 176.600 -0.089 0.000 0.985 156 E CA 1.021 57.373 56.400 -0.079 0.000 0.802 156 E CB -0.692 28.975 29.700 -0.055 0.000 0.762 156 E HN 0.515 nan 8.360 nan 0.000 0.448 157 P HA -0.188 nan 4.420 nan 0.000 0.217 157 P C 1.355 178.594 177.300 -0.101 0.000 1.150 157 P CA 1.122 64.171 63.100 -0.085 0.000 0.832 157 P CB -0.045 31.614 31.700 -0.068 0.000 0.787 158 F N 3.093 122.811 119.950 -0.387 0.000 2.031 158 F HA -0.039 4.493 4.527 0.008 0.000 0.295 158 F C -0.858 174.837 175.800 -0.174 0.000 1.133 158 F CA 1.524 59.282 58.000 -0.402 0.000 1.188 158 F CB -2.049 36.421 39.000 -0.883 0.000 0.974 158 F HN -0.043 nan 8.300 nan 0.000 0.473 159 P HA -0.132 nan 4.420 nan 0.000 0.216 159 P C 2.208 179.400 177.300 -0.181 0.000 1.153 159 P CA 1.979 64.847 63.100 -0.387 0.000 0.848 159 P CB -0.202 31.399 31.700 -0.165 0.000 0.787 160 I N -0.542 119.962 120.570 -0.110 0.000 2.226 160 I HA -0.203 3.970 4.170 0.006 0.000 0.245 160 I C 2.576 178.693 176.117 -0.000 0.000 1.100 160 I CA 1.457 62.743 61.300 -0.024 0.000 1.374 160 I CB -0.495 37.490 38.000 -0.024 0.000 1.057 160 I HN -0.137 nan 8.210 nan 0.000 0.413 161 R N 0.305 120.775 120.500 -0.050 0.000 2.148 161 R HA -0.050 4.294 4.340 0.006 0.000 0.223 161 R C 2.199 178.467 176.300 -0.055 0.000 1.088 161 R CA 0.886 56.966 56.100 -0.034 0.000 0.985 161 R CB -0.064 30.221 30.300 -0.025 0.000 0.880 161 R HN 0.278 nan 8.270 nan 0.000 0.451 162 I N -0.014 120.490 120.570 -0.110 0.000 2.286 162 I HA -0.227 3.946 4.170 0.006 0.000 0.245 162 I C 2.064 178.144 176.117 -0.062 0.000 1.104 162 I CA 1.240 62.471 61.300 -0.114 0.000 1.397 162 I CB -0.770 37.098 38.000 -0.220 0.000 1.072 162 I HN 0.065 nan 8.210 nan 0.000 0.417 163 F N 1.480 121.356 119.950 -0.123 0.000 2.146 163 F HA -0.194 4.336 4.527 0.006 0.000 0.298 163 F C 2.573 178.343 175.800 -0.050 0.000 1.096 163 F CA 1.414 59.366 58.000 -0.080 0.000 1.275 163 F CB -0.084 38.867 39.000 -0.081 0.000 1.008 163 F HN -0.092 nan 8.300 nan 0.000 0.480 164 M N -0.388 119.182 119.600 -0.050 0.000 2.213 164 M HA -0.170 4.314 4.480 0.006 0.000 0.263 164 M C 2.277 178.495 176.300 -0.137 0.000 1.062 164 M CA 1.264 56.521 55.300 -0.072 0.000 1.105 164 M CB -1.457 31.156 32.600 0.022 0.000 1.385 164 M HN 0.356 nan 8.290 nan 0.000 0.417 165 L N 0.589 121.735 121.223 -0.129 0.000 1.994 165 L HA -0.164 4.180 4.340 0.006 0.000 0.208 165 L C 2.326 179.096 176.870 -0.166 0.000 1.071 165 L CA 1.402 56.173 54.840 -0.114 0.000 0.745 165 L CB -0.774 41.236 42.059 -0.081 0.000 0.892 165 L HN 0.204 nan 8.230 nan 0.000 0.431 166 L N 0.013 121.086 121.223 -0.251 0.000 2.046 166 L HA -0.093 4.251 4.340 0.006 0.000 0.208 166 L C 2.319 179.000 176.870 -0.315 0.000 1.077 166 L CA 2.127 56.801 54.840 -0.277 0.000 0.747 166 L CB -0.907 40.949 42.059 -0.339 0.000 0.896 166 L HN 0.291 nan 8.230 nan 0.000 0.432 167 A N -0.948 121.592 122.820 -0.467 0.000 2.169 167 A HA 0.340 4.664 4.320 0.006 0.000 0.212 167 A C 1.597 179.085 177.584 -0.160 0.000 1.153 167 A CA 0.578 52.398 52.037 -0.362 0.000 0.756 167 A CB -1.009 17.708 19.000 -0.471 0.000 0.813 167 A HN 0.880 nan 8.150 nan 0.000 0.471 168 G N -0.614 108.103 108.800 -0.138 0.000 2.314 168 G HA2 -0.197 3.767 3.960 0.006 0.000 0.292 168 G HA3 -0.197 3.767 3.960 0.006 0.000 0.292 168 G C -0.209 174.674 174.900 -0.028 0.000 1.059 168 G CA 0.559 45.617 45.100 -0.069 0.000 0.982 168 G HN 0.482 nan 8.290 nan 0.000 0.505 169 L N 0.426 121.642 121.223 -0.012 0.000 2.354 169 L HA 0.564 4.907 4.340 0.006 0.000 0.269 169 L C -1.797 175.106 176.870 0.054 0.000 1.005 169 L CA -2.509 52.366 54.840 0.058 0.000 0.819 169 L CB 2.389 44.524 42.059 0.127 0.000 1.311 169 L HN -0.025 nan 8.230 nan 0.000 0.423 170 P HA 0.097 nan 4.420 nan 0.000 0.276 170 P C -0.131 177.205 177.300 0.060 0.000 1.230 170 P CA -0.195 62.937 63.100 0.054 0.000 0.776 170 P CB 0.857 32.591 31.700 0.057 0.000 0.888 171 E N 1.484 121.706 120.200 0.038 0.000 2.267 171 E HA -0.207 4.147 4.350 0.006 0.000 0.197 171 E C 0.983 177.607 176.600 0.040 0.000 0.998 171 E CA 1.222 57.642 56.400 0.034 0.000 0.830 171 E CB -0.053 29.660 29.700 0.021 0.000 0.751 171 E HN 0.555 nan 8.360 nan 0.000 0.491 172 E N 0.739 120.966 120.200 0.045 0.000 2.338 172 E HA -0.133 4.220 4.350 0.006 0.000 0.197 172 E C 1.045 177.684 176.600 0.066 0.000 1.007 172 E CA 0.752 57.179 56.400 0.046 0.000 0.849 172 E CB 0.045 29.768 29.700 0.039 0.000 0.774 172 E HN 0.183 nan 8.360 nan 0.000 0.506 173 D N -0.313 120.142 120.400 0.090 0.000 2.347 173 D HA 0.032 4.675 4.640 0.006 0.000 0.213 173 D C 1.565 177.903 176.300 0.064 0.000 0.985 173 D CA 0.177 54.247 54.000 0.116 0.000 0.879 173 D CB 0.019 40.940 40.800 0.201 0.000 0.919 173 D HN 0.205 nan 8.370 nan 0.000 0.526 174 I N 1.603 122.201 120.570 0.046 0.000 2.118 174 I HA -0.256 3.918 4.170 0.006 0.000 0.241 174 I C -0.585 175.548 176.117 0.026 0.000 1.070 174 I CA 1.410 62.724 61.300 0.023 0.000 1.327 174 I CB -1.266 36.746 38.000 0.020 0.000 1.034 174 I HN 0.049 nan 8.210 nan 0.000 0.405 175 P HA -0.206 nan 4.420 nan 0.000 0.215 175 P C 1.466 178.820 177.300 0.090 0.000 1.153 175 P CA 1.723 64.858 63.100 0.057 0.000 0.853 175 P CB -0.122 31.607 31.700 0.049 0.000 0.788 176 H N -0.237 118.833 119.070 0.001 0.000 2.293 176 H HA -0.058 4.502 4.556 0.006 0.000 0.300 176 H C 1.881 177.211 175.328 0.004 0.000 1.082 176 H CA 1.558 57.611 56.048 0.009 0.000 1.308 176 H CB -1.026 28.730 29.762 -0.009 0.000 1.375 176 H HN -0.070 nan 8.280 nan 0.000 0.495 177 L N -0.113 121.014 121.223 -0.159 0.000 2.046 177 L HA -0.157 4.186 4.340 0.006 0.000 0.208 177 L C 2.515 179.282 176.870 -0.172 0.000 1.077 177 L CA 1.714 56.400 54.840 -0.256 0.000 0.747 177 L CB -0.413 41.496 42.059 -0.249 0.000 0.896 177 L HN 0.234 nan 8.230 nan 0.000 0.432 178 K N -0.221 120.129 120.400 -0.083 0.000 2.148 178 K HA -0.231 4.093 4.320 0.006 0.000 0.204 178 K C 2.070 178.640 176.600 -0.050 0.000 1.050 178 K CA 1.317 57.568 56.287 -0.060 0.000 0.942 178 K CB -0.518 31.970 32.500 -0.020 0.000 0.724 178 K HN 0.229 nan 8.250 nan 0.000 0.446 179 Y N 0.755 120.976 120.300 -0.132 0.000 2.181 179 Y HA -0.117 4.436 4.550 0.006 0.000 0.288 179 Y C 1.480 177.292 175.900 -0.146 0.000 1.146 179 Y CA 1.820 59.848 58.100 -0.119 0.000 1.164 179 Y CB -0.131 38.259 38.460 -0.117 0.000 0.982 179 Y HN 0.015 nan 8.280 nan 0.000 0.515 180 L N -1.086 119.978 121.223 -0.264 0.000 2.056 180 L HA -0.200 4.143 4.340 0.006 0.000 0.207 180 L C 2.341 179.046 176.870 -0.275 0.000 1.078 180 L CA 1.720 56.364 54.840 -0.326 0.000 0.749 180 L CB -0.999 40.883 42.059 -0.295 0.000 0.901 180 L HN 0.146 nan 8.230 nan 0.000 0.433 181 T N -0.928 113.502 114.554 -0.207 0.000 2.788 181 T HA -0.163 4.190 4.350 0.006 0.000 0.268 181 T C 1.438 176.074 174.700 -0.106 0.000 1.044 181 T CA 1.417 63.437 62.100 -0.134 0.000 1.139 181 T CB -0.220 68.577 68.868 -0.119 0.000 0.867 181 T HN 0.289 nan 8.240 nan 0.000 0.454 182 D N 0.920 121.230 120.400 -0.152 0.000 2.178 182 D HA -0.058 4.585 4.640 0.006 0.000 0.202 182 D C 2.384 178.604 176.300 -0.134 0.000 0.974 182 D CA 0.726 54.655 54.000 -0.118 0.000 0.841 182 D CB -0.169 40.557 40.800 -0.124 0.000 0.953 182 D HN 0.265 nan 8.370 nan 0.000 0.478 183 Q N -0.310 119.334 119.800 -0.260 0.000 2.167 183 Q HA 0.030 4.374 4.340 0.006 0.000 0.202 183 Q C 2.189 178.157 176.000 -0.053 0.000 0.970 183 Q CA 0.586 56.255 55.803 -0.225 0.000 0.855 183 Q CB -0.262 28.258 28.738 -0.365 0.000 0.911 183 Q HN 0.432 nan 8.270 nan 0.000 0.438 184 M N -0.078 119.519 119.600 -0.006 0.000 2.319 184 M HA -0.085 4.399 4.480 0.006 0.000 0.265 184 M C 1.855 178.385 176.300 0.383 0.000 1.068 184 M CA 1.759 57.201 55.300 0.235 0.000 1.118 184 M CB -0.070 32.653 32.600 0.205 0.000 1.395 184 M HN 0.292 nan 8.290 nan 0.000 0.435 185 T N -2.971 111.712 114.554 0.216 0.000 3.018 185 T HA 0.180 4.534 4.350 0.006 0.000 0.246 185 T C 1.063 175.890 174.700 0.211 0.000 1.026 185 T CA -0.143 62.075 62.100 0.196 0.000 1.081 185 T CB 0.256 69.199 68.868 0.126 0.000 0.970 185 T HN 0.223 nan 8.240 nan 0.000 0.475 186 R N 2.150 122.733 120.500 0.138 0.000 2.655 186 R HA 0.328 4.671 4.340 0.006 0.000 0.261 186 R C -2.978 173.354 176.300 0.054 0.000 1.624 186 R CA -1.712 54.487 56.100 0.164 0.000 1.655 186 R CB 1.349 31.727 30.300 0.129 0.000 1.356 186 R HN 0.336 nan 8.270 nan 0.000 0.684 187 P HA -0.055 nan 4.420 nan 0.000 0.265 187 P C -0.219 177.043 177.300 -0.064 0.000 1.187 187 P CA 0.337 63.388 63.100 -0.082 0.000 0.766 187 P CB 0.778 32.401 31.700 -0.128 0.000 0.820 188 D N 0.926 121.296 120.400 -0.050 0.000 2.349 188 D HA 0.124 4.768 4.640 0.006 0.000 0.214 188 D C 1.385 177.680 176.300 -0.009 0.000 1.063 188 D CA 0.459 54.452 54.000 -0.011 0.000 0.847 188 D CB -0.142 40.672 40.800 0.023 0.000 0.933 188 D HN 0.585 nan 8.370 nan 0.000 0.513 189 G N 0.378 109.161 108.800 -0.028 0.000 2.284 189 G HA2 -0.355 3.608 3.960 0.006 0.000 0.216 189 G HA3 -0.355 3.608 3.960 0.006 0.000 0.216 189 G C 1.359 176.261 174.900 0.004 0.000 1.009 189 G CA 0.624 45.713 45.100 -0.019 0.000 0.625 189 G HN 0.617 nan 8.290 nan 0.000 0.501 190 S N -0.321 115.397 115.700 0.030 0.000 2.419 190 S HA 0.331 4.804 4.470 0.006 0.000 0.233 190 S C 1.055 175.687 174.600 0.054 0.000 1.016 190 S CA 1.554 59.792 58.200 0.063 0.000 0.974 190 S CB 0.036 63.320 63.200 0.140 0.000 0.786 190 S HN 0.578 nan 8.310 nan 0.000 0.492 191 M N 1.859 121.470 119.600 0.019 0.000 2.457 191 M HA 0.332 4.815 4.480 0.006 0.000 0.300 191 M C -0.474 175.815 176.300 -0.017 0.000 1.141 191 M CA -0.565 54.735 55.300 -0.000 0.000 0.901 191 M CB 2.620 35.206 32.600 -0.022 0.000 1.687 191 M HN 0.257 nan 8.290 nan 0.000 0.449 192 T N -1.080 113.473 114.554 -0.002 0.000 2.828 192 T HA 0.222 4.576 4.350 0.006 0.000 0.290 192 T C 0.785 175.509 174.700 0.041 0.000 1.019 192 T CA -0.503 61.615 62.100 0.030 0.000 1.031 192 T CB 0.752 69.648 68.868 0.048 0.000 1.001 192 T HN 0.588 nan 8.240 nan 0.000 0.531 193 F N 1.730 121.673 119.950 -0.013 0.000 2.065 193 F HA -0.047 4.483 4.527 0.006 0.000 0.298 193 F C 2.551 178.324 175.800 -0.045 0.000 1.112 193 F CA 2.024 60.030 58.000 0.009 0.000 1.212 193 F CB -1.043 38.011 39.000 0.089 0.000 0.975 193 F HN 0.731 nan 8.300 nan 0.000 0.476 194 A N -0.097 122.809 122.820 0.143 0.000 1.908 194 A HA -0.250 4.074 4.320 0.006 0.000 0.218 194 A C 2.103 179.601 177.584 -0.144 0.000 1.181 194 A CA 2.053 54.087 52.037 -0.004 0.000 0.627 194 A CB -1.005 18.047 19.000 0.087 0.000 0.818 194 A HN 0.597 nan 8.150 nan 0.000 0.445 195 E N -0.559 119.585 120.200 -0.094 0.000 2.106 195 E HA -0.033 4.321 4.350 0.006 0.000 0.192 195 E C 2.271 178.786 176.600 -0.141 0.000 0.984 195 E CA 0.920 57.272 56.400 -0.081 0.000 0.806 195 E CB -0.239 29.444 29.700 -0.029 0.000 0.750 195 E HN 0.632 nan 8.360 nan 0.000 0.458 196 A N 1.348 124.031 122.820 -0.229 0.000 1.898 196 A HA -0.214 4.110 4.320 0.006 0.000 0.216 196 A C 2.039 179.404 177.584 -0.365 0.000 1.181 196 A CA 1.541 53.412 52.037 -0.277 0.000 0.620 196 A CB -0.340 18.468 19.000 -0.319 0.000 0.819 196 A HN 0.071 nan 8.150 nan 0.000 0.442 197 K N -0.517 119.534 120.400 -0.582 0.000 2.026 197 K HA -0.180 4.143 4.320 0.006 0.000 0.208 197 K C 1.814 178.038 176.600 -0.626 0.000 1.048 197 K CA 1.526 57.375 56.287 -0.729 0.000 0.929 197 K CB -0.136 31.779 32.500 -0.973 0.000 0.713 197 K HN 0.340 nan 8.250 nan 0.000 0.439 198 E N 0.483 120.469 120.200 -0.357 0.000 2.077 198 E HA -0.171 4.182 4.350 0.006 0.000 0.193 198 E C 1.947 178.538 176.600 -0.015 0.000 0.989 198 E CA 1.196 57.525 56.400 -0.120 0.000 0.800 198 E CB -0.303 29.375 29.700 -0.037 0.000 0.746 198 E HN 0.445 nan 8.360 nan 0.000 0.452 199 A N 1.432 124.228 122.820 -0.041 0.000 1.908 199 A HA -0.153 4.170 4.320 0.006 0.000 0.218 199 A C 2.334 179.980 177.584 0.103 0.000 1.181 199 A CA 1.097 53.170 52.037 0.060 0.000 0.627 199 A CB -0.709 18.316 19.000 0.042 0.000 0.818 199 A HN 0.234 nan 8.150 nan 0.000 0.445 200 L N -1.653 119.555 121.223 -0.025 0.000 2.027 200 L HA -0.177 4.167 4.340 0.006 0.000 0.206 200 L C 2.575 179.596 176.870 0.251 0.000 1.074 200 L CA 1.569 56.438 54.840 0.048 0.000 0.745 200 L CB -0.466 41.542 42.059 -0.084 0.000 0.898 200 L HN 0.484 nan 8.230 nan 0.000 0.433 201 Y N 0.050 120.419 120.300 0.115 0.000 2.165 201 Y HA -0.313 4.240 4.550 0.006 0.000 0.286 201 Y C 2.434 178.401 175.900 0.111 0.000 1.155 201 Y CA 1.345 59.510 58.100 0.108 0.000 1.164 201 Y CB -1.016 37.477 38.460 0.055 0.000 0.978 201 Y HN 0.369 nan 8.280 nan 0.000 0.513 202 D N -1.007 119.560 120.400 0.278 0.000 2.104 202 D HA -0.274 4.370 4.640 0.006 0.000 0.194 202 D C 2.189 178.603 176.300 0.189 0.000 0.994 202 D CA 1.406 55.519 54.000 0.188 0.000 0.830 202 D CB -0.521 40.374 40.800 0.158 0.000 0.959 202 D HN 0.355 nan 8.370 nan 0.000 0.452 203 Y N 0.498 120.877 120.300 0.131 0.000 2.145 203 Y HA -0.105 4.449 4.550 0.006 0.000 0.286 203 Y C 1.967 177.929 175.900 0.103 0.000 1.145 203 Y CA 1.572 59.742 58.100 0.118 0.000 1.148 203 Y CB -0.262 38.299 38.460 0.169 0.000 0.981 203 Y HN 0.037 nan 8.280 nan 0.000 0.507 204 L N -0.549 120.848 121.223 0.290 0.000 2.313 204 L HA -0.108 4.236 4.340 0.006 0.000 0.214 204 L C 2.222 179.111 176.870 0.031 0.000 1.119 204 L CA 0.437 55.362 54.840 0.141 0.000 0.809 204 L CB -0.409 41.799 42.059 0.248 0.000 0.933 204 L HN 0.274 nan 8.230 nan 0.000 0.449 205 I N 0.659 121.252 120.570 0.038 0.000 2.074 205 I HA -0.292 3.881 4.170 0.006 0.000 0.238 205 I C -0.211 175.890 176.117 -0.027 0.000 1.037 205 I CA 1.891 63.192 61.300 0.002 0.000 1.301 205 I CB -1.719 36.288 38.000 0.011 0.000 1.016 205 I HN 0.240 nan 8.210 nan 0.000 0.400 206 P HA -0.164 nan 4.420 nan 0.000 0.216 206 P C 1.843 179.102 177.300 -0.068 0.000 1.150 206 P CA 1.823 64.886 63.100 -0.061 0.000 0.837 206 P CB -0.208 31.443 31.700 -0.082 0.000 0.786 207 I N -1.067 119.446 120.570 -0.095 0.000 2.252 207 I HA -0.198 3.976 4.170 0.006 0.000 0.245 207 I C 2.570 178.663 176.117 -0.040 0.000 1.102 207 I CA 1.242 62.493 61.300 -0.082 0.000 1.385 207 I CB -0.694 37.236 38.000 -0.117 0.000 1.064 207 I HN -0.173 nan 8.210 nan 0.000 0.414 208 I N 0.885 121.440 120.570 -0.025 0.000 2.208 208 I HA -0.295 3.878 4.170 0.006 0.000 0.245 208 I C 2.662 178.770 176.117 -0.015 0.000 1.097 208 I CA 1.455 62.749 61.300 -0.010 0.000 1.363 208 I CB -0.238 37.761 38.000 -0.001 0.000 1.051 208 I HN 0.242 nan 8.210 nan 0.000 0.413 209 E N 0.629 120.817 120.200 -0.021 0.000 2.072 209 E HA -0.266 4.088 4.350 0.006 0.000 0.191 209 E C 2.143 178.731 176.600 -0.021 0.000 0.985 209 E CA 1.381 57.770 56.400 -0.019 0.000 0.801 209 E CB -0.223 29.464 29.700 -0.021 0.000 0.750 209 E HN 0.293 nan 8.360 nan 0.000 0.452 210 Q N 0.479 120.263 119.800 -0.027 0.000 2.084 210 Q HA -0.105 4.239 4.340 0.006 0.000 0.202 210 Q C 1.993 177.980 176.000 -0.021 0.000 0.978 210 Q CA 1.492 57.279 55.803 -0.026 0.000 0.844 210 Q CB -0.042 28.676 28.738 -0.034 0.000 0.898 210 Q HN 0.320 nan 8.270 nan 0.000 0.426 211 R N -0.604 119.884 120.500 -0.020 0.000 2.236 211 R HA 0.056 4.399 4.340 0.006 0.000 0.208 211 R C 2.256 178.549 176.300 -0.012 0.000 1.036 211 R CA 0.325 56.415 56.100 -0.016 0.000 1.001 211 R CB 0.030 30.321 30.300 -0.015 0.000 0.896 211 R HN 0.121 nan 8.270 nan 0.000 0.464 212 R N 0.273 120.766 120.500 -0.011 0.000 2.115 212 R HA -0.038 4.306 4.340 0.006 0.000 0.226 212 R C 2.132 178.426 176.300 -0.010 0.000 1.100 212 R CA 0.893 56.988 56.100 -0.008 0.000 0.980 212 R CB 0.113 30.409 30.300 -0.007 0.000 0.875 212 R HN 0.126 nan 8.270 nan 0.000 0.445 213 Q N 0.652 120.445 119.800 -0.012 0.000 2.083 213 Q HA -0.029 4.315 4.340 0.006 0.000 0.198 213 Q C 0.174 176.167 176.000 -0.012 0.000 0.969 213 Q CA 1.404 57.200 55.803 -0.012 0.000 0.838 213 Q CB 0.322 29.052 28.738 -0.013 0.000 0.900 213 Q HN 0.186 nan 8.270 nan 0.000 0.436 214 K N 0.963 121.355 120.400 -0.013 0.000 2.679 214 K HA 0.352 4.675 4.320 0.006 0.000 0.188 214 K C -2.594 173.998 176.600 -0.014 0.000 1.055 214 K CA -1.577 54.703 56.287 -0.013 0.000 1.006 214 K CB 1.517 34.008 32.500 -0.014 0.000 1.317 214 K HN -0.067 nan 8.250 nan 0.000 0.584 215 P HA -0.044 nan 4.420 nan 0.000 0.265 215 P C 0.117 177.408 177.300 -0.014 0.000 1.193 215 P CA 0.197 63.289 63.100 -0.012 0.000 0.765 215 P CB 1.075 32.769 31.700 -0.011 0.000 0.823 216 G N 0.944 109.735 108.800 -0.016 0.000 3.212 216 G HA2 0.446 4.409 3.960 0.006 0.000 0.188 216 G HA3 0.446 4.409 3.960 0.006 0.000 0.188 216 G C 0.462 175.350 174.900 -0.020 0.000 1.254 216 G CA -0.085 45.004 45.100 -0.018 0.000 0.957 216 G HN 0.393 nan 8.290 nan 0.000 0.596 217 T N -1.460 113.080 114.554 -0.024 0.000 3.001 217 T HA 0.168 4.521 4.350 0.006 0.000 0.251 217 T C 0.593 175.273 174.700 -0.035 0.000 1.040 217 T CA 0.587 62.671 62.100 -0.026 0.000 0.985 217 T CB -0.173 68.680 68.868 -0.025 0.000 1.011 217 T HN 0.573 nan 8.240 nan 0.000 0.509 218 D N 1.440 121.815 120.400 -0.041 0.000 2.371 218 D HA 0.298 4.941 4.640 0.006 0.000 0.242 218 D C 1.470 177.736 176.300 -0.057 0.000 1.218 218 D CA 0.044 54.008 54.000 -0.060 0.000 0.945 218 D CB 1.296 42.059 40.800 -0.063 0.000 1.137 218 D HN 0.127 nan 8.370 nan 0.000 0.464 219 A N 1.080 123.846 122.820 -0.089 0.000 1.902 219 A HA -0.133 4.191 4.320 0.006 0.000 0.217 219 A C 2.431 180.004 177.584 -0.019 0.000 1.181 219 A CA 1.124 53.123 52.037 -0.063 0.000 0.623 219 A CB -0.773 18.160 19.000 -0.112 0.000 0.818 219 A HN 0.662 nan 8.150 nan 0.000 0.443 220 I N -0.238 120.322 120.570 -0.018 0.000 2.163 220 I HA -0.253 3.921 4.170 0.006 0.000 0.243 220 I C 2.725 178.846 176.117 0.006 0.000 1.085 220 I CA 1.538 62.846 61.300 0.013 0.000 1.347 220 I CB -0.402 37.612 38.000 0.023 0.000 1.044 220 I HN 0.227 nan 8.210 nan 0.000 0.408 221 S N 0.813 116.509 115.700 -0.007 0.000 2.359 221 S HA -0.140 4.334 4.470 0.006 0.000 0.224 221 S C 1.994 176.593 174.600 -0.003 0.000 1.035 221 S CA 1.196 59.392 58.200 -0.007 0.000 1.018 221 S CB -0.224 62.968 63.200 -0.014 0.000 0.876 221 S HN 0.257 nan 8.310 nan 0.000 0.448 222 I N 1.180 121.747 120.570 -0.004 0.000 2.226 222 I HA -0.079 4.095 4.170 0.006 0.000 0.245 222 I C 2.300 178.424 176.117 0.012 0.000 1.100 222 I CA 0.850 62.149 61.300 -0.000 0.000 1.374 222 I CB -1.584 36.414 38.000 -0.003 0.000 1.057 222 I HN 0.140 nan 8.210 nan 0.000 0.413 223 V N 1.256 121.183 119.914 0.022 0.000 2.244 223 V HA -0.217 3.907 4.120 0.006 0.000 0.244 223 V C 2.788 178.905 176.094 0.038 0.000 1.042 223 V CA 1.833 64.157 62.300 0.041 0.000 1.006 223 V CB -1.112 30.746 31.823 0.057 0.000 0.641 223 V HN 0.448 nan 8.190 nan 0.000 0.446 224 A N 0.143 122.980 122.820 0.029 0.000 2.024 224 A HA -0.243 4.081 4.320 0.006 0.000 0.220 224 A C 1.752 179.344 177.584 0.014 0.000 1.164 224 A CA 2.354 54.405 52.037 0.022 0.000 0.643 224 A CB -0.704 18.304 19.000 0.014 0.000 0.806 224 A HN 0.719 nan 8.150 nan 0.000 0.451 225 N N -0.835 117.870 118.700 0.008 0.000 2.214 225 N HA 0.300 5.044 4.740 0.006 0.000 0.214 225 N C 0.696 176.205 175.510 -0.000 0.000 1.132 225 N CA 0.310 53.361 53.050 0.002 0.000 0.856 225 N CB 0.580 39.066 38.487 -0.003 0.000 1.020 225 N HN 0.425 nan 8.380 nan 0.000 0.509 226 G N 0.003 108.807 108.800 0.005 0.000 2.599 226 G HA2 0.266 4.230 3.960 0.006 0.000 0.264 226 G HA3 0.266 4.230 3.960 0.006 0.000 0.264 226 G C -0.446 174.445 174.900 -0.015 0.000 1.200 226 G CA -0.266 44.832 45.100 -0.003 0.000 0.896 226 G HN 0.129 nan 8.290 nan 0.000 0.536 227 Q N -1.265 118.514 119.800 -0.035 0.000 2.337 227 Q HA 0.469 4.812 4.340 0.006 0.000 0.266 227 Q C -0.683 175.254 176.000 -0.105 0.000 1.023 227 Q CA -0.832 54.935 55.803 -0.059 0.000 0.829 227 Q CB 2.669 31.376 28.738 -0.051 0.000 1.306 227 Q HN 0.465 nan 8.270 nan 0.000 0.449 228 V N 0.643 120.458 119.914 -0.165 0.000 2.294 228 V HA 0.364 4.488 4.120 0.006 0.000 0.272 228 V C -0.355 175.598 176.094 -0.234 0.000 1.027 228 V CA -1.058 61.059 62.300 -0.304 0.000 0.823 228 V CB 0.639 32.091 31.823 -0.619 0.000 1.030 228 V HN 0.828 nan 8.190 nan 0.000 0.457 229 N N 3.952 122.547 118.700 -0.175 0.000 2.705 229 N HA -0.190 4.554 4.740 0.006 0.000 0.255 229 N C 1.302 176.757 175.510 -0.091 0.000 1.008 229 N CA 1.821 54.799 53.050 -0.120 0.000 0.742 229 N CB -1.223 37.194 38.487 -0.116 0.000 0.906 229 N HN 1.826 nan 8.380 nan 0.000 0.541 230 G N -1.702 107.052 108.800 -0.078 0.000 2.179 230 G HA2 -0.370 3.593 3.960 0.006 0.000 0.260 230 G HA3 -0.370 3.593 3.960 0.006 0.000 0.260 230 G C 0.069 174.938 174.900 -0.052 0.000 0.977 230 G CA 0.791 45.857 45.100 -0.057 0.000 0.641 230 G HN 0.916 nan 8.290 nan 0.000 0.533 231 R N -0.520 119.942 120.500 -0.063 0.000 2.854 231 R HA 0.788 5.131 4.340 0.006 0.000 0.271 231 R C -3.209 173.064 176.300 -0.046 0.000 0.996 231 R CA -2.447 53.626 56.100 -0.045 0.000 0.961 231 R CB 0.883 31.160 30.300 -0.038 0.000 1.182 231 R HN 0.070 nan 8.270 nan 0.000 0.479 232 P HA 0.099 nan 4.420 nan 0.000 0.276 232 P C -0.350 176.949 177.300 -0.002 0.000 1.230 232 P CA -0.326 62.765 63.100 -0.015 0.000 0.776 232 P CB 0.571 32.266 31.700 -0.007 0.000 0.888 233 I N 2.533 123.109 120.570 0.009 0.000 2.754 233 I HA 0.059 4.233 4.170 0.006 0.000 0.285 233 I C 0.837 176.984 176.117 0.049 0.000 1.166 233 I CA 0.192 61.523 61.300 0.053 0.000 1.417 233 I CB 0.761 38.807 38.000 0.076 0.000 1.382 233 I HN 0.420 nan 8.210 nan 0.000 0.588 234 T N 2.271 116.865 114.554 0.067 0.000 2.849 234 T HA 0.179 4.533 4.350 0.006 0.000 0.284 234 T C 1.081 175.795 174.700 0.023 0.000 1.004 234 T CA -0.470 61.652 62.100 0.037 0.000 1.021 234 T CB 1.453 70.342 68.868 0.035 0.000 1.013 234 T HN 0.650 nan 8.240 nan 0.000 0.527 235 S N 0.367 116.069 115.700 0.003 0.000 2.383 235 S HA -0.145 4.329 4.470 0.006 0.000 0.229 235 S C 1.701 176.279 174.600 -0.035 0.000 1.030 235 S CA 1.677 59.870 58.200 -0.012 0.000 1.002 235 S CB -0.675 62.514 63.200 -0.019 0.000 0.829 235 S HN 0.983 nan 8.310 nan 0.000 0.467 236 D N 0.921 121.294 120.400 -0.044 0.000 2.097 236 D HA -0.143 4.501 4.640 0.006 0.000 0.195 236 D C 1.895 178.136 176.300 -0.099 0.000 0.989 236 D CA 1.328 55.274 54.000 -0.090 0.000 0.827 236 D CB -0.110 40.647 40.800 -0.072 0.000 0.966 236 D HN 0.444 nan 8.370 nan 0.000 0.456 237 E N -0.266 119.915 120.200 -0.032 0.000 2.150 237 E HA -0.110 4.244 4.350 0.006 0.000 0.193 237 E C 2.122 178.731 176.600 0.015 0.000 0.985 237 E CA 0.838 57.230 56.400 -0.012 0.000 0.814 237 E CB -0.140 29.639 29.700 0.133 0.000 0.752 237 E HN 0.407 nan 8.360 nan 0.000 0.466 238 A N 1.693 124.529 122.820 0.026 0.000 1.930 238 A HA -0.204 4.120 4.320 0.006 0.000 0.217 238 A C 2.060 179.654 177.584 0.015 0.000 1.175 238 A CA 1.364 53.424 52.037 0.039 0.000 0.627 238 A CB -0.315 18.704 19.000 0.031 0.000 0.815 238 A HN 0.053 nan 8.150 nan 0.000 0.443 239 K N -0.239 120.131 120.400 -0.049 0.000 2.057 239 K HA -0.135 4.189 4.320 0.006 0.000 0.207 239 K C 2.071 178.619 176.600 -0.086 0.000 1.049 239 K CA 1.445 57.670 56.287 -0.103 0.000 0.931 239 K CB -0.150 32.194 32.500 -0.260 0.000 0.714 239 K HN 0.416 nan 8.250 nan 0.000 0.440 240 R N -0.065 120.366 120.500 -0.116 0.000 2.236 240 R HA 0.018 4.362 4.340 0.006 0.000 0.208 240 R C 2.212 178.620 176.300 0.181 0.000 1.036 240 R CA 1.008 57.157 56.100 0.081 0.000 1.001 240 R CB -0.068 30.221 30.300 -0.019 0.000 0.896 240 R HN 0.312 nan 8.270 nan 0.000 0.464 241 M N -0.614 119.035 119.600 0.083 0.000 2.325 241 M HA -0.077 4.407 4.480 0.006 0.000 0.265 241 M C 1.743 178.081 176.300 0.063 0.000 1.094 241 M CA 1.346 56.692 55.300 0.077 0.000 1.161 241 M CB 0.096 32.753 32.600 0.096 0.000 1.358 241 M HN 0.170 nan 8.290 nan 0.000 0.446 242 C N 0.845 120.199 119.300 0.088 0.000 2.429 242 C HA -0.056 4.408 4.460 0.006 0.000 0.277 242 C C 2.776 177.809 174.990 0.072 0.000 1.262 242 C CA 1.171 60.251 59.018 0.103 0.000 1.733 242 C CB -1.838 25.975 27.740 0.122 0.000 2.010 242 C HN 0.817 nan 8.230 nan 0.000 0.483 243 G N 0.020 108.879 108.800 0.098 0.000 2.440 243 G HA2 -0.199 3.764 3.960 0.006 0.000 0.218 243 G HA3 -0.199 3.764 3.960 0.006 0.000 0.218 243 G C 1.613 176.160 174.900 -0.589 0.000 1.154 243 G CA 0.547 45.637 45.100 -0.018 0.000 0.767 243 G HN 0.504 nan 8.290 nan 0.000 0.552 244 L N 0.105 120.879 121.223 -0.749 0.000 1.989 244 L HA -0.025 4.318 4.340 0.006 0.000 0.211 244 L C 2.952 179.577 176.870 -0.409 0.000 1.071 244 L CA 1.380 55.721 54.840 -0.831 0.000 0.749 244 L CB -0.437 41.404 42.059 -0.363 0.000 0.890 244 L HN 0.240 nan 8.230 nan 0.000 0.431 245 L N -0.509 120.594 121.223 -0.201 0.000 2.013 245 L HA -0.324 4.019 4.340 0.006 0.000 0.212 245 L C 2.668 179.329 176.870 -0.348 0.000 1.073 245 L CA 1.386 56.163 54.840 -0.105 0.000 0.753 245 L CB -0.527 41.616 42.059 0.140 0.000 0.890 245 L HN 0.340 nan 8.230 nan 0.000 0.432 246 L N -1.059 120.018 121.223 -0.245 0.000 2.017 246 L HA -0.225 4.119 4.340 0.006 0.000 0.208 246 L C 2.554 179.171 176.870 -0.422 0.000 1.073 246 L CA 1.065 55.705 54.840 -0.334 0.000 0.745 246 L CB -0.477 41.542 42.059 -0.065 0.000 0.894 246 L HN 0.074 nan 8.230 nan 0.000 0.432 247 V N 0.137 119.844 119.914 -0.344 0.000 2.287 247 V HA -0.253 3.871 4.120 0.006 0.000 0.248 247 V C 2.603 178.554 176.094 -0.238 0.000 1.053 247 V CA 2.112 64.259 62.300 -0.255 0.000 1.027 247 V CB -1.245 30.444 31.823 -0.224 0.000 0.646 247 V HN 0.599 nan 8.190 nan 0.000 0.447 248 G N -0.256 108.380 108.800 -0.274 0.000 2.418 248 G HA2 -0.150 3.814 3.960 0.006 0.000 0.217 248 G HA3 -0.150 3.814 3.960 0.006 0.000 0.217 248 G C 1.526 176.241 174.900 -0.308 0.000 1.158 248 G CA 0.905 45.875 45.100 -0.216 0.000 0.771 248 G HN 0.615 nan 8.290 nan 0.000 0.545 249 G N -0.197 108.231 108.800 -0.621 0.000 2.712 249 G HA2 0.182 4.145 3.960 0.006 0.000 0.212 249 G HA3 0.182 4.145 3.960 0.006 0.000 0.212 249 G C 1.232 175.878 174.900 -0.423 0.000 1.142 249 G CA 0.200 44.871 45.100 -0.715 0.000 0.789 249 G HN 0.314 nan 8.290 nan 0.000 0.535 250 L N -0.256 120.766 121.223 -0.334 0.000 2.693 250 L HA 0.387 4.731 4.340 0.006 0.000 0.235 250 L C 1.240 178.046 176.870 -0.107 0.000 1.127 250 L CA 0.588 55.319 54.840 -0.182 0.000 0.914 250 L CB 0.960 42.921 42.059 -0.163 0.000 1.193 250 L HN 0.061 nan 8.230 nan 0.000 0.502 251 D N -2.131 118.216 120.400 -0.088 0.000 2.559 251 D HA -0.038 4.606 4.640 0.006 0.000 0.296 251 D C 2.026 178.331 176.300 0.007 0.000 1.118 251 D CA 1.253 55.233 54.000 -0.033 0.000 0.967 251 D CB 0.539 41.327 40.800 -0.019 0.000 1.607 251 D HN 0.159 nan 8.370 nan 0.000 0.493 252 T N -0.917 113.646 114.554 0.015 0.000 2.668 252 T HA -0.088 4.266 4.350 0.006 0.000 0.262 252 T C 2.076 176.849 174.700 0.121 0.000 1.045 252 T CA 1.591 63.726 62.100 0.059 0.000 1.152 252 T CB -0.964 67.925 68.868 0.035 0.000 0.864 252 T HN -0.052 nan 8.240 nan 0.000 0.419 253 V N 1.710 121.683 119.914 0.097 0.000 2.332 253 V HA -0.165 3.958 4.120 0.006 0.000 0.248 253 V C 2.980 179.187 176.094 0.187 0.000 1.055 253 V CA 1.518 63.921 62.300 0.171 0.000 1.038 253 V CB -0.957 30.938 31.823 0.119 0.000 0.651 253 V HN 0.383 nan 8.190 nan 0.000 0.450 254 V N 0.679 120.649 119.914 0.094 0.000 2.282 254 V HA -0.296 3.828 4.120 0.006 0.000 0.249 254 V C 2.270 178.400 176.094 0.060 0.000 1.057 254 V CA 2.402 64.739 62.300 0.063 0.000 1.032 254 V CB -0.754 31.071 31.823 0.003 0.000 0.645 254 V HN 0.612 nan 8.190 nan 0.000 0.447 255 N N -1.070 117.664 118.700 0.057 0.000 2.333 255 N HA -0.067 4.676 4.740 0.006 0.000 0.178 255 N C 1.714 177.214 175.510 -0.017 0.000 1.018 255 N CA 1.070 54.093 53.050 -0.045 0.000 0.882 255 N CB -0.182 38.311 38.487 0.011 0.000 0.984 255 N HN 0.521 nan 8.380 nan 0.000 0.434 256 F N 2.172 122.182 119.950 0.099 0.000 2.134 256 F HA -0.016 4.515 4.527 0.006 0.000 0.299 256 F C 2.097 177.985 175.800 0.147 0.000 1.097 256 F CA 0.915 59.038 58.000 0.204 0.000 1.264 256 F CB -0.299 38.779 39.000 0.130 0.000 1.001 256 F HN -0.098 nan 8.300 nan 0.000 0.479 257 L N -0.792 120.504 121.223 0.121 0.000 2.083 257 L HA -0.239 4.105 4.340 0.006 0.000 0.209 257 L C 2.534 179.383 176.870 -0.035 0.000 1.083 257 L CA 1.382 56.279 54.840 0.094 0.000 0.752 257 L CB -0.843 41.435 42.059 0.366 0.000 0.899 257 L HN 0.085 nan 8.230 nan 0.000 0.433 258 S N -0.524 115.152 115.700 -0.039 0.000 2.355 258 S HA -0.127 4.347 4.470 0.006 0.000 0.222 258 S C 1.772 176.123 174.600 -0.414 0.000 1.031 258 S CA 1.146 59.252 58.200 -0.158 0.000 0.993 258 S CB -0.307 62.782 63.200 -0.185 0.000 0.859 258 S HN 0.208 nan 8.310 nan 0.000 0.453 259 F N 2.217 121.920 119.950 -0.412 0.000 2.091 259 F HA -0.147 4.383 4.527 0.006 0.000 0.299 259 F C 2.811 178.068 175.800 -0.906 0.000 1.103 259 F CA 1.091 58.713 58.000 -0.630 0.000 1.228 259 F CB -1.059 37.557 39.000 -0.641 0.000 0.984 259 F HN 0.113 nan 8.300 nan 0.000 0.477 260 S N -0.636 114.662 115.700 -0.670 0.000 2.368 260 S HA -0.145 4.329 4.470 0.006 0.000 0.224 260 S C 2.078 176.471 174.600 -0.345 0.000 1.029 260 S CA 1.075 58.942 58.200 -0.554 0.000 0.988 260 S CB -0.197 62.715 63.200 -0.481 0.000 0.838 260 S HN 0.199 nan 8.310 nan 0.000 0.462 261 M N 1.078 120.398 119.600 -0.467 0.000 2.349 261 M HA 0.044 4.527 4.480 0.006 0.000 0.266 261 M C 2.152 178.219 176.300 -0.388 0.000 1.076 261 M CA 0.960 55.911 55.300 -0.581 0.000 1.126 261 M CB -0.990 30.813 32.600 -1.327 0.000 1.392 261 M HN 0.420 nan 8.290 nan 0.000 0.440 262 E N 0.054 120.046 120.200 -0.347 0.000 2.072 262 E HA -0.217 4.137 4.350 0.006 0.000 0.191 262 E C 1.950 178.462 176.600 -0.147 0.000 0.985 262 E CA 1.102 57.385 56.400 -0.195 0.000 0.801 262 E CB -0.120 29.510 29.700 -0.116 0.000 0.750 262 E HN 0.357 nan 8.360 nan 0.000 0.452 263 F N 1.472 121.227 119.950 -0.324 0.000 2.102 263 F HA -0.168 4.364 4.527 0.008 0.000 0.298 263 F C 1.951 177.650 175.800 -0.169 0.000 1.105 263 F CA 1.428 59.281 58.000 -0.245 0.000 1.239 263 F CB -0.310 38.480 39.000 -0.350 0.000 0.991 263 F HN -0.016 nan 8.300 nan 0.000 0.474 264 L N 0.098 121.157 121.223 -0.273 0.000 2.131 264 L HA -0.160 4.183 4.340 0.006 0.000 0.210 264 L C 2.777 179.351 176.870 -0.492 0.000 1.092 264 L CA 1.045 55.682 54.840 -0.338 0.000 0.759 264 L CB -1.205 40.835 42.059 -0.032 0.000 0.903 264 L HN 0.285 nan 8.230 nan 0.000 0.435 265 A N -0.001 122.607 122.820 -0.354 0.000 2.019 265 A HA -0.175 4.149 4.320 0.006 0.000 0.219 265 A C 2.182 179.574 177.584 -0.319 0.000 1.164 265 A CA 1.421 53.234 52.037 -0.373 0.000 0.644 265 A CB -0.229 18.741 19.000 -0.051 0.000 0.805 265 A HN 0.346 nan 8.150 nan 0.000 0.449 266 K N -0.863 119.346 120.400 -0.318 0.000 2.404 266 K HA 0.142 4.466 4.320 0.006 0.000 0.194 266 K C 0.181 176.590 176.600 -0.319 0.000 1.023 266 K CA 0.426 56.563 56.287 -0.251 0.000 1.094 266 K CB 0.354 32.743 32.500 -0.184 0.000 0.841 266 K HN 0.228 nan 8.250 nan 0.000 0.523 267 S N 1.189 116.616 115.700 -0.455 0.000 2.279 267 S HA 0.258 4.731 4.470 0.006 0.000 0.176 267 S C -2.344 172.122 174.600 -0.225 0.000 1.554 267 S CA -1.683 56.290 58.200 -0.378 0.000 1.242 267 S CB 0.632 63.373 63.200 -0.765 0.000 1.163 267 S HN -0.119 nan 8.310 nan 0.000 0.449 268 P HA -0.130 nan 4.420 nan 0.000 0.216 268 P C 1.065 178.316 177.300 -0.082 0.000 1.150 268 P CA 1.212 64.229 63.100 -0.138 0.000 0.843 268 P CB 0.206 31.839 31.700 -0.112 0.000 0.787 269 E N -1.640 118.519 120.200 -0.068 0.000 2.110 269 E HA -0.208 4.146 4.350 0.006 0.000 0.193 269 E C 1.911 178.417 176.600 -0.156 0.000 0.988 269 E CA 1.003 57.336 56.400 -0.112 0.000 0.804 269 E CB -0.487 29.119 29.700 -0.157 0.000 0.745 269 E HN 0.468 nan 8.360 nan 0.000 0.458 270 H N 0.083 119.113 119.070 -0.067 0.000 2.389 270 H HA 0.030 4.590 4.556 0.006 0.000 0.299 270 H C 2.062 177.493 175.328 0.172 0.000 1.081 270 H CA 1.110 57.189 56.048 0.053 0.000 1.345 270 H CB 0.107 29.891 29.762 0.038 0.000 1.393 270 H HN 0.005 nan 8.280 nan 0.000 0.520 271 R N 0.413 120.987 120.500 0.123 0.000 2.080 271 R HA -0.209 4.134 4.340 0.006 0.000 0.236 271 R C 2.330 178.680 176.300 0.083 0.000 1.137 271 R CA 1.688 57.833 56.100 0.075 0.000 0.943 271 R CB -0.351 29.907 30.300 -0.071 0.000 0.846 271 R HN 0.453 nan 8.270 nan 0.000 0.431 272 Q N 1.123 120.942 119.800 0.033 0.000 2.152 272 Q HA -0.256 4.087 4.340 0.006 0.000 0.206 272 Q C 1.999 178.033 176.000 0.057 0.000 0.985 272 Q CA 1.893 57.714 55.803 0.029 0.000 0.863 272 Q CB -0.021 28.715 28.738 -0.003 0.000 0.904 272 Q HN 0.412 nan 8.270 nan 0.000 0.422 273 E N -0.052 120.198 120.200 0.084 0.000 2.077 273 E HA -0.185 4.169 4.350 0.006 0.000 0.193 273 E C 2.009 178.698 176.600 0.149 0.000 0.989 273 E CA 1.213 57.689 56.400 0.127 0.000 0.800 273 E CB -0.065 29.752 29.700 0.196 0.000 0.746 273 E HN 0.478 nan 8.360 nan 0.000 0.452 274 L N 0.268 121.598 121.223 0.178 0.000 2.240 274 L HA -0.038 4.306 4.340 0.006 0.000 0.211 274 L C 2.333 179.250 176.870 0.079 0.000 1.106 274 L CA 0.269 55.173 54.840 0.108 0.000 0.793 274 L CB -0.153 41.963 42.059 0.095 0.000 0.927 274 L HN 0.198 nan 8.230 nan 0.000 0.446 275 I N -0.366 120.254 120.570 0.083 0.000 2.252 275 I HA -0.262 3.912 4.170 0.006 0.000 0.245 275 I C 2.602 178.748 176.117 0.048 0.000 1.102 275 I CA 1.277 62.614 61.300 0.061 0.000 1.385 275 I CB -0.128 37.906 38.000 0.058 0.000 1.064 275 I HN 0.285 nan 8.210 nan 0.000 0.414 276 Q N 0.392 120.221 119.800 0.049 0.000 2.079 276 Q HA -0.029 4.314 4.340 0.006 0.000 0.200 276 Q C 0.616 176.639 176.000 0.039 0.000 0.974 276 Q CA 1.019 56.846 55.803 0.039 0.000 0.840 276 Q CB 0.157 28.917 28.738 0.037 0.000 0.898 276 Q HN 0.383 nan 8.270 nan 0.000 0.430 277 R N 0.677 121.206 120.500 0.049 0.000 2.585 277 R HA 0.175 4.519 4.340 0.006 0.000 0.278 277 R C -2.149 174.175 176.300 0.039 0.000 1.663 277 R CA -1.214 54.912 56.100 0.044 0.000 1.592 277 R CB 1.138 31.468 30.300 0.051 0.000 1.200 277 R HN 0.096 nan 8.270 nan 0.000 0.611 278 P HA -0.198 nan 4.420 nan 0.000 0.225 278 P C 0.802 178.113 177.300 0.018 0.000 1.148 278 P CA 1.117 64.232 63.100 0.025 0.000 0.779 278 P CB 0.391 32.107 31.700 0.026 0.000 0.780 279 E N 0.836 121.048 120.200 0.021 0.000 2.478 279 E HA -0.121 4.232 4.350 0.006 0.000 0.198 279 E C 1.558 178.166 176.600 0.014 0.000 1.046 279 E CA 0.391 56.803 56.400 0.019 0.000 0.870 279 E CB -0.468 29.245 29.700 0.022 0.000 0.818 279 E HN 0.277 nan 8.360 nan 0.000 0.527 280 R N 0.262 120.768 120.500 0.009 0.000 2.313 280 R HA 0.238 4.582 4.340 0.006 0.000 0.199 280 R C 2.163 178.422 176.300 -0.069 0.000 0.958 280 R CA 0.074 56.170 56.100 -0.006 0.000 1.047 280 R CB -0.090 30.224 30.300 0.023 0.000 0.955 280 R HN 0.221 nan 8.270 nan 0.000 0.481 281 I N 1.403 121.940 120.570 -0.055 0.000 2.286 281 I HA -0.193 3.981 4.170 0.006 0.000 0.248 281 I C -0.864 175.215 176.117 -0.063 0.000 1.115 281 I CA 1.270 62.521 61.300 -0.082 0.000 1.392 281 I CB -0.795 37.190 38.000 -0.025 0.000 1.065 281 I HN 0.049 nan 8.210 nan 0.000 0.418 282 P HA -0.126 nan 4.420 nan 0.000 0.216 282 P C 1.486 178.791 177.300 0.007 0.000 1.153 282 P CA 1.615 64.724 63.100 0.014 0.000 0.848 282 P CB -0.004 31.715 31.700 0.031 0.000 0.787 283 A N 0.190 123.006 122.820 -0.008 0.000 1.902 283 A HA -0.101 4.222 4.320 0.006 0.000 0.217 283 A C 2.332 179.895 177.584 -0.034 0.000 1.181 283 A CA 2.113 54.156 52.037 0.010 0.000 0.623 283 A CB -1.630 17.391 19.000 0.034 0.000 0.818 283 A HN 0.188 nan 8.150 nan 0.000 0.443 284 A N -0.982 121.707 122.820 -0.218 0.000 1.969 284 A HA -0.175 4.149 4.320 0.006 0.000 0.218 284 A C 2.390 179.862 177.584 -0.186 0.000 1.169 284 A CA 1.668 53.385 52.037 -0.534 0.000 0.635 284 A CB -1.394 16.875 19.000 -1.217 0.000 0.810 284 A HN 0.967 nan 8.150 nan 0.000 0.445 285 C N -0.546 118.710 119.300 -0.073 0.000 2.432 285 C HA -0.089 4.375 4.460 0.006 0.000 0.277 285 C C 2.506 177.545 174.990 0.082 0.000 1.249 285 C CA 1.799 60.859 59.018 0.070 0.000 1.725 285 C CB -0.964 26.832 27.740 0.092 0.000 2.028 285 C HN 0.643 nan 8.230 nan 0.000 0.477 286 E N 0.787 121.025 120.200 0.062 0.000 2.153 286 E HA -0.183 4.171 4.350 0.006 0.000 0.194 286 E C 2.035 178.656 176.600 0.034 0.000 0.988 286 E CA 1.753 58.193 56.400 0.066 0.000 0.811 286 E CB -0.373 29.398 29.700 0.119 0.000 0.746 286 E HN 0.828 nan 8.360 nan 0.000 0.466 287 E N -0.388 119.859 120.200 0.079 0.000 2.216 287 E HA -0.050 4.304 4.350 0.006 0.000 0.192 287 E C 1.717 178.348 176.600 0.052 0.000 0.988 287 E CA 0.695 57.145 56.400 0.083 0.000 0.834 287 E CB -0.175 29.644 29.700 0.199 0.000 0.772 287 E HN 0.340 nan 8.360 nan 0.000 0.479 288 L N -0.172 121.140 121.223 0.148 0.000 2.179 288 L HA -0.001 4.343 4.340 0.006 0.000 0.208 288 L C 2.232 179.310 176.870 0.346 0.000 1.096 288 L CA 0.486 55.491 54.840 0.276 0.000 0.779 288 L CB -0.189 42.106 42.059 0.394 0.000 0.922 288 L HN 0.210 nan 8.230 nan 0.000 0.443 289 L N -0.569 120.709 121.223 0.091 0.000 2.141 289 L HA -0.174 4.170 4.340 0.006 0.000 0.209 289 L C 2.786 179.399 176.870 -0.428 0.000 1.094 289 L CA 0.953 55.593 54.840 -0.335 0.000 0.763 289 L CB -0.367 41.292 42.059 -0.666 0.000 0.908 289 L HN 0.234 nan 8.230 nan 0.000 0.437 290 R N 0.271 120.550 120.500 -0.368 0.000 2.064 290 R HA -0.211 4.132 4.340 0.006 0.000 0.228 290 R C 2.481 178.611 176.300 -0.284 0.000 1.144 290 R CA 1.619 57.546 56.100 -0.288 0.000 0.932 290 R CB -0.147 30.079 30.300 -0.124 0.000 0.833 290 R HN 0.046 nan 8.270 nan 0.000 0.429 291 R N 0.017 120.310 120.500 -0.345 0.000 2.091 291 R HA -0.108 4.235 4.340 0.006 0.000 0.238 291 R C 0.725 176.523 176.300 -0.837 0.000 1.136 291 R CA 1.707 57.418 56.100 -0.649 0.000 0.959 291 R CB -0.273 29.435 30.300 -0.988 0.000 0.856 291 R HN 0.280 nan 8.270 nan 0.000 0.437 292 F N 0.123 119.961 119.950 -0.187 0.000 2.850 292 F HA 0.430 4.960 4.527 0.006 0.000 0.306 292 F C 0.385 176.061 175.800 -0.205 0.000 1.162 292 F CA -0.534 57.296 58.000 -0.285 0.000 1.327 292 F CB 0.007 38.811 39.000 -0.327 0.000 0.953 292 F HN -0.150 nan 8.300 nan 0.000 0.507 293 S N 1.818 117.406 115.700 -0.187 0.000 2.558 293 S HA 0.196 4.670 4.470 0.006 0.000 0.291 293 S C 0.962 175.376 174.600 -0.309 0.000 1.306 293 S CA 0.048 58.088 58.200 -0.267 0.000 1.056 293 S CB 0.400 63.414 63.200 -0.309 0.000 0.836 293 S HN 0.571 nan 8.310 nan 0.000 0.504 294 L N 2.375 123.439 121.223 -0.266 0.000 3.360 294 L HA 0.571 4.915 4.340 0.006 0.000 0.303 294 L C -0.665 176.042 176.870 -0.271 0.000 1.218 294 L CA -0.529 54.158 54.840 -0.255 0.000 1.059 294 L CB 0.190 42.248 42.059 -0.002 0.000 1.468 294 L HN 0.326 nan 8.230 nan 0.000 0.614 295 V N 1.654 121.401 119.914 -0.278 0.000 2.713 295 V HA 0.869 4.992 4.120 0.006 0.000 0.307 295 V C 0.172 176.076 176.094 -0.316 0.000 1.052 295 V CA 0.034 62.190 62.300 -0.241 0.000 0.967 295 V CB 1.595 33.325 31.823 -0.155 0.000 1.019 295 V HN 0.332 nan 8.190 nan 0.000 0.459 296 A N 2.759 125.413 122.820 -0.276 0.000 2.604 296 A HA 0.659 4.983 4.320 0.006 0.000 0.285 296 A C -0.840 176.653 177.584 -0.151 0.000 1.095 296 A CA -0.638 51.266 52.037 -0.222 0.000 0.842 296 A CB 0.714 19.508 19.000 -0.343 0.000 1.385 296 A HN 0.849 nan 8.150 nan 0.000 0.404 297 D N 1.394 121.761 120.400 -0.054 0.000 2.720 297 D HA 0.875 5.519 4.640 0.006 0.000 0.232 297 D C 0.572 176.897 176.300 0.043 0.000 1.173 297 D CA 0.061 54.030 54.000 -0.051 0.000 1.082 297 D CB 0.838 41.660 40.800 0.037 0.000 1.235 297 D HN 1.100 nan 8.370 nan 0.000 0.636 298 G N -1.924 106.917 108.800 0.067 0.000 2.500 298 G HA2 0.528 4.492 3.960 0.006 0.000 0.299 298 G HA3 0.528 4.492 3.960 0.006 0.000 0.299 298 G C -1.183 173.733 174.900 0.027 0.000 1.242 298 G CA -0.724 44.389 45.100 0.022 0.000 0.859 298 G HN 0.459 nan 8.290 nan 0.000 0.481 299 R N -1.340 119.168 120.500 0.013 0.000 2.810 299 R HA 0.670 5.013 4.340 0.006 0.000 0.266 299 R C -1.427 174.954 176.300 0.135 0.000 1.061 299 R CA -0.727 55.419 56.100 0.076 0.000 0.943 299 R CB 1.529 31.899 30.300 0.118 0.000 1.237 299 R HN 0.611 nan 8.270 nan 0.000 0.459 300 I N 1.245 121.907 120.570 0.153 0.000 2.608 300 I HA 0.278 4.451 4.170 0.006 0.000 0.295 300 I C -0.722 175.483 176.117 0.148 0.000 1.049 300 I CA -1.080 60.315 61.300 0.159 0.000 1.063 300 I CB 1.554 39.617 38.000 0.104 0.000 1.248 300 I HN 0.213 nan 8.210 nan 0.000 0.424 301 L N 6.037 127.347 121.223 0.146 0.000 2.410 301 L HA 0.122 4.466 4.340 0.006 0.000 0.273 301 L C 1.548 178.431 176.870 0.022 0.000 1.152 301 L CA 0.537 55.394 54.840 0.029 0.000 0.855 301 L CB 1.087 43.200 42.059 0.091 0.000 1.129 301 L HN 0.804 nan 8.230 nan 0.000 0.463 302 T N -1.565 112.971 114.554 -0.029 0.000 3.067 302 T HA 0.072 4.426 4.350 0.006 0.000 0.261 302 T C 0.750 175.453 174.700 0.005 0.000 1.110 302 T CA 0.489 62.583 62.100 -0.010 0.000 1.113 302 T CB 0.155 68.995 68.868 -0.046 0.000 0.917 302 T HN 0.643 nan 8.240 nan 0.000 0.499 303 S N -0.345 115.365 115.700 0.016 0.000 2.661 303 S HA 0.451 4.924 4.470 0.006 0.000 0.268 303 S C -2.100 172.535 174.600 0.059 0.000 1.162 303 S CA -1.202 57.022 58.200 0.039 0.000 0.817 303 S CB 0.752 63.980 63.200 0.046 0.000 1.141 303 S HN 0.044 nan 8.310 nan 0.000 0.477 304 D N 1.020 121.456 120.400 0.060 0.000 2.443 304 D HA 0.521 5.165 4.640 0.006 0.000 0.239 304 D C -0.790 175.581 176.300 0.119 0.000 1.136 304 D CA 0.954 54.995 54.000 0.070 0.000 0.879 304 D CB 0.139 40.964 40.800 0.041 0.000 1.195 304 D HN 0.544 nan 8.370 nan 0.000 0.443 305 Y N 0.172 120.414 120.300 -0.096 0.000 2.558 305 Y HA 0.234 4.787 4.550 0.006 0.000 0.333 305 Y C -1.423 174.407 175.900 -0.116 0.000 1.125 305 Y CA -1.120 56.858 58.100 -0.205 0.000 1.039 305 Y CB 1.411 39.582 38.460 -0.482 0.000 1.331 305 Y HN 0.331 nan 8.280 nan 0.000 0.456 306 E N 5.528 125.333 120.200 -0.657 0.000 2.109 306 E HA 0.385 4.738 4.350 0.006 0.000 0.278 306 E C -2.070 174.090 176.600 -0.733 0.000 0.954 306 E CA -0.592 55.501 56.400 -0.512 0.000 0.779 306 E CB 0.682 30.219 29.700 -0.271 0.000 1.093 306 E HN 0.472 nan 8.360 nan 0.000 0.401 307 F N 5.382 124.949 119.950 -0.638 0.000 2.427 307 F HA 0.274 4.804 4.527 0.006 0.000 0.348 307 F C -0.130 175.570 175.800 -0.167 0.000 1.125 307 F CA -0.547 57.206 58.000 -0.411 0.000 0.989 307 F CB 0.514 39.426 39.000 -0.147 0.000 1.165 307 F HN 0.682 nan 8.300 nan 0.000 0.442 308 H N 3.824 122.566 119.070 -0.548 0.000 2.690 308 H HA -0.202 4.358 4.556 0.006 0.000 0.309 308 H C 1.379 176.555 175.328 -0.254 0.000 1.138 308 H CA 1.198 56.988 56.048 -0.429 0.000 1.142 308 H CB -1.104 28.319 29.762 -0.565 0.000 1.410 308 H HN 1.154 nan 8.280 nan 0.000 0.409 309 G N -1.308 107.391 108.800 -0.168 0.000 2.141 309 G HA2 -0.262 3.701 3.960 0.006 0.000 0.242 309 G HA3 -0.262 3.701 3.960 0.006 0.000 0.242 309 G C 0.114 174.963 174.900 -0.085 0.000 0.982 309 G CA 0.203 45.239 45.100 -0.107 0.000 0.662 309 G HN 0.460 nan 8.290 nan 0.000 0.527 310 V N 1.135 120.972 119.914 -0.128 0.000 2.540 310 V HA 0.523 4.646 4.120 0.006 0.000 0.302 310 V C 0.046 176.046 176.094 -0.156 0.000 1.035 310 V CA -1.066 61.140 62.300 -0.155 0.000 0.873 310 V CB 1.912 33.550 31.823 -0.308 0.000 0.992 310 V HN 0.278 nan 8.190 nan 0.000 0.428 311 Q N 4.183 123.950 119.800 -0.056 0.000 2.279 311 Q HA 0.516 4.859 4.340 0.006 0.000 0.256 311 Q C -0.963 175.113 176.000 0.126 0.000 0.937 311 Q CA -0.089 55.724 55.803 0.016 0.000 0.933 311 Q CB 1.628 30.416 28.738 0.084 0.000 1.189 311 Q HN 0.573 nan 8.270 nan 0.000 0.417 312 L N 2.050 123.328 121.223 0.092 0.000 2.317 312 L HA 0.507 4.850 4.340 0.006 0.000 0.281 312 L C 0.270 177.311 176.870 0.286 0.000 1.024 312 L CA -0.683 54.323 54.840 0.276 0.000 0.810 312 L CB 1.376 43.509 42.059 0.124 0.000 1.240 312 L HN 0.286 nan 8.230 nan 0.000 0.427 313 K N 2.715 123.347 120.400 0.387 0.000 2.172 313 K HA 0.215 4.539 4.320 0.006 0.000 0.276 313 K C -0.204 176.467 176.600 0.119 0.000 1.013 313 K CA -0.763 55.563 56.287 0.064 0.000 0.913 313 K CB 1.224 33.468 32.500 -0.427 0.000 1.055 313 K HN 0.484 nan 8.250 nan 0.000 0.461 314 K N 2.309 122.742 120.400 0.054 0.000 2.530 314 K HA -0.110 4.214 4.320 0.006 0.000 0.280 314 K C 0.620 177.268 176.600 0.080 0.000 1.004 314 K CA 1.594 57.918 56.287 0.061 0.000 1.071 314 K CB -0.118 32.401 32.500 0.033 0.000 0.876 314 K HN 0.816 nan 8.250 nan 0.000 0.487 315 G N 2.714 111.577 108.800 0.104 0.000 2.217 315 G HA2 -0.235 3.729 3.960 0.006 0.000 0.246 315 G HA3 -0.235 3.729 3.960 0.006 0.000 0.246 315 G C -0.369 174.639 174.900 0.180 0.000 0.990 315 G CA 0.171 45.341 45.100 0.115 0.000 0.627 315 G HN 0.747 nan 8.290 nan 0.000 0.522 316 D N 1.367 121.925 120.400 0.263 0.000 2.443 316 D HA 0.433 5.077 4.640 0.006 0.000 0.239 316 D C 0.818 177.339 176.300 0.369 0.000 1.136 316 D CA 0.520 54.764 54.000 0.406 0.000 0.879 316 D CB 0.555 41.759 40.800 0.673 0.000 1.195 316 D HN 0.476 nan 8.370 nan 0.000 0.443 317 Q N 0.925 120.917 119.800 0.320 0.000 2.222 317 Q HA 0.623 4.966 4.340 0.006 0.000 0.252 317 Q C -0.490 175.696 176.000 0.310 0.000 0.926 317 Q CA -0.639 55.303 55.803 0.232 0.000 0.899 317 Q CB 2.398 31.200 28.738 0.107 0.000 1.250 317 Q HN 0.461 nan 8.270 nan 0.000 0.441 318 I N 2.876 123.595 120.570 0.249 0.000 2.500 318 I HA 0.238 4.412 4.170 0.006 0.000 0.286 318 I C -1.654 174.501 176.117 0.062 0.000 1.063 318 I CA -0.969 60.484 61.300 0.254 0.000 1.062 318 I CB 1.236 39.396 38.000 0.266 0.000 1.223 318 I HN 0.516 nan 8.210 nan 0.000 0.435 319 L N 8.341 129.609 121.223 0.074 0.000 2.319 319 L HA 0.411 4.755 4.340 0.006 0.000 0.280 319 L C -1.151 175.713 176.870 -0.010 0.000 1.099 319 L CA 0.297 55.139 54.840 0.003 0.000 0.828 319 L CB 0.691 42.761 42.059 0.019 0.000 1.150 319 L HN 0.544 nan 8.230 nan 0.000 0.442 320 L N 7.624 128.811 121.223 -0.060 0.000 2.445 320 L HA 0.399 4.743 4.340 0.006 0.000 0.252 320 L C -2.230 174.672 176.870 0.055 0.000 1.105 320 L CA -1.717 53.047 54.840 -0.126 0.000 0.943 320 L CB 0.971 42.698 42.059 -0.553 0.000 1.277 320 L HN 0.483 nan 8.230 nan 0.000 0.465 321 P HA 0.040 nan 4.420 nan 0.000 0.260 321 P C 0.158 177.442 177.300 -0.026 0.000 1.207 321 P CA 0.094 63.189 63.100 -0.008 0.000 0.780 321 P CB 0.823 32.546 31.700 0.038 0.000 0.789 322 Q N 2.688 122.467 119.800 -0.035 0.000 2.224 322 Q HA -0.136 4.207 4.340 0.006 0.000 0.203 322 Q C 1.873 177.789 176.000 -0.140 0.000 0.970 322 Q CA 1.364 57.137 55.803 -0.050 0.000 0.865 322 Q CB -0.508 28.169 28.738 -0.102 0.000 0.922 322 Q HN 0.525 nan 8.270 nan 0.000 0.445 323 M N -0.454 119.001 119.600 -0.241 0.000 2.202 323 M HA -0.192 4.291 4.480 0.006 0.000 0.262 323 M C 0.891 177.068 176.300 -0.205 0.000 1.063 323 M CA 1.328 56.452 55.300 -0.295 0.000 1.097 323 M CB 0.109 32.406 32.600 -0.504 0.000 1.382 323 M HN 0.278 nan 8.290 nan 0.000 0.413 324 L N -0.098 121.039 121.223 -0.143 0.000 2.217 324 L HA -0.062 4.282 4.340 0.006 0.000 0.211 324 L C 2.443 179.261 176.870 -0.087 0.000 1.107 324 L CA 1.297 56.080 54.840 -0.096 0.000 0.783 324 L CB -0.703 41.319 42.059 -0.062 0.000 0.919 324 L HN 0.271 nan 8.230 nan 0.000 0.442 325 S N -0.426 115.229 115.700 -0.074 0.000 2.359 325 S HA -0.139 4.335 4.470 0.006 0.000 0.224 325 S C 1.883 176.450 174.600 -0.056 0.000 1.035 325 S CA 1.356 59.517 58.200 -0.064 0.000 1.018 325 S CB -0.828 62.339 63.200 -0.055 0.000 0.876 325 S HN 0.539 nan 8.310 nan 0.000 0.448 326 G N 0.457 109.228 108.800 -0.048 0.000 2.985 326 G HA2 0.204 4.167 3.960 0.006 0.000 0.209 326 G HA3 0.204 4.167 3.960 0.006 0.000 0.209 326 G C 1.056 175.907 174.900 -0.081 0.000 1.165 326 G CA -0.115 44.964 45.100 -0.035 0.000 0.776 326 G HN 0.413 nan 8.290 nan 0.000 0.541 327 L N 0.007 121.168 121.223 -0.102 0.000 2.509 327 L HA 0.135 4.478 4.340 0.006 0.000 0.222 327 L C 0.667 177.488 176.870 -0.082 0.000 1.123 327 L CA -0.148 54.627 54.840 -0.110 0.000 0.856 327 L CB -0.005 41.982 42.059 -0.120 0.000 0.985 327 L HN 0.042 nan 8.230 nan 0.000 0.456 328 D N 1.305 121.660 120.400 -0.074 0.000 2.401 328 D HA -0.059 4.585 4.640 0.006 0.000 0.254 328 D C 1.016 177.284 176.300 -0.054 0.000 1.192 328 D CA 0.375 54.335 54.000 -0.067 0.000 0.885 328 D CB 1.041 41.799 40.800 -0.071 0.000 1.147 328 D HN 0.186 nan 8.370 nan 0.000 0.478 329 E N 2.616 122.787 120.200 -0.049 0.000 2.267 329 E HA -0.205 4.149 4.350 0.006 0.000 0.197 329 E C 1.516 178.095 176.600 -0.035 0.000 0.998 329 E CA 0.813 57.190 56.400 -0.037 0.000 0.830 329 E CB 0.227 29.908 29.700 -0.032 0.000 0.751 329 E HN 0.459 nan 8.360 nan 0.000 0.491 330 R N 0.360 120.835 120.500 -0.042 0.000 2.236 330 R HA -0.021 4.323 4.340 0.006 0.000 0.208 330 R C 1.799 178.078 176.300 -0.035 0.000 1.036 330 R CA 0.636 56.713 56.100 -0.038 0.000 1.001 330 R CB 0.107 30.379 30.300 -0.047 0.000 0.896 330 R HN 0.196 nan 8.270 nan 0.000 0.464 331 E N 0.026 120.204 120.200 -0.037 0.000 2.162 331 E HA 0.092 4.445 4.350 0.006 0.000 0.193 331 E C -0.078 176.509 176.600 -0.021 0.000 0.953 331 E CA 0.402 56.783 56.400 -0.032 0.000 0.849 331 E CB 0.469 30.146 29.700 -0.039 0.000 0.810 331 E HN 0.224 nan 8.360 nan 0.000 0.470 332 N N 0.395 119.082 118.700 -0.021 0.000 2.352 332 N HA 0.307 5.051 4.740 0.006 0.000 0.291 332 N C -1.018 174.486 175.510 -0.010 0.000 1.040 332 N CA -0.189 52.854 53.050 -0.012 0.000 0.864 332 N CB 2.105 40.583 38.487 -0.015 0.000 1.440 332 N HN -0.022 nan 8.380 nan 0.000 0.483 333 A N 0.586 123.406 122.820 0.001 0.000 2.483 333 A HA 0.163 4.487 4.320 0.006 0.000 0.238 333 A C 0.702 178.294 177.584 0.014 0.000 1.070 333 A CA -0.056 51.983 52.037 0.004 0.000 0.770 333 A CB -0.237 18.767 19.000 0.008 0.000 1.008 333 A HN 0.958 nan 8.150 nan 0.000 0.497 334 C N 2.173 121.478 119.300 0.009 0.000 2.862 334 C HA -0.100 4.363 4.460 0.006 0.000 0.237 334 C C -0.341 174.667 174.990 0.029 0.000 1.339 334 C CA 0.110 59.141 59.018 0.021 0.000 2.397 334 C CB -2.181 25.575 27.740 0.027 0.000 1.520 334 C HN 0.845 nan 8.230 nan 0.000 0.423 335 P HA -0.151 nan 4.420 nan 0.000 0.223 335 P C 1.345 178.593 177.300 -0.087 0.000 1.151 335 P CA 1.456 64.525 63.100 -0.051 0.000 0.787 335 P CB 0.046 31.709 31.700 -0.062 0.000 0.788 336 M N -1.602 117.964 119.600 -0.056 0.000 2.595 336 M HA 0.029 4.513 4.480 0.006 0.000 0.248 336 M C 1.188 177.447 176.300 -0.068 0.000 1.119 336 M CA 0.333 55.578 55.300 -0.092 0.000 1.079 336 M CB -1.518 31.054 32.600 -0.046 0.000 1.472 336 M HN 0.107 nan 8.290 nan 0.000 0.501 337 H N 1.073 120.077 119.070 -0.110 0.000 2.580 337 H HA 0.316 4.875 4.556 0.006 0.000 0.322 337 H C -1.072 174.178 175.328 -0.130 0.000 1.082 337 H CA -0.377 55.623 56.048 -0.080 0.000 1.383 337 H CB 1.505 31.247 29.762 -0.032 0.000 1.450 337 H HN -0.168 nan 8.280 nan 0.000 0.505 338 V N 5.954 125.431 119.914 -0.728 0.000 2.408 338 V HA 0.009 4.132 4.120 0.006 0.000 0.267 338 V C 0.175 175.780 176.094 -0.815 0.000 1.047 338 V CA -0.119 61.755 62.300 -0.709 0.000 0.937 338 V CB 0.988 32.308 31.823 -0.839 0.000 0.999 338 V HN 0.720 nan 8.190 nan 0.000 0.472 339 D N 4.551 124.685 120.400 -0.444 0.000 2.440 339 D HA 0.321 4.965 4.640 0.006 0.000 0.252 339 D C 0.634 176.976 176.300 0.069 0.000 1.180 339 D CA -0.585 53.295 54.000 -0.200 0.000 0.894 339 D CB 0.924 41.724 40.800 0.001 0.000 1.111 339 D HN 0.206 nan 8.370 nan 0.000 0.544 340 F N 1.406 121.397 119.950 0.068 0.000 2.236 340 F HA -0.117 4.413 4.527 0.005 0.000 0.302 340 F C 2.308 178.142 175.800 0.057 0.000 1.073 340 F CA 0.687 58.732 58.000 0.074 0.000 1.336 340 F CB -0.877 38.186 39.000 0.106 0.000 1.040 340 F HN 0.303 nan 8.300 nan 0.000 0.507 341 S N -0.840 114.993 115.700 0.222 0.000 2.631 341 S HA 0.030 4.503 4.470 0.006 0.000 0.217 341 S C 0.855 175.520 174.600 0.109 0.000 0.958 341 S CA -0.467 57.819 58.200 0.143 0.000 0.920 341 S CB -0.454 62.810 63.200 0.107 0.000 0.776 341 S HN 0.179 nan 8.310 nan 0.000 0.517 342 R N 1.618 122.185 120.500 0.111 0.000 2.485 342 R HA -0.074 4.270 4.340 0.006 0.000 0.304 342 R C 1.041 177.385 176.300 0.073 0.000 0.934 342 R CA 0.386 56.537 56.100 0.084 0.000 1.102 342 R CB 0.250 30.593 30.300 0.073 0.000 0.906 342 R HN 0.243 nan 8.270 nan 0.000 0.407 343 Q N 2.893 122.728 119.800 0.058 0.000 2.020 343 Q HA -0.136 4.207 4.340 0.006 0.000 0.202 343 Q C -0.169 175.857 176.000 0.044 0.000 0.982 343 Q CA 1.782 57.614 55.803 0.049 0.000 0.838 343 Q CB 0.244 29.005 28.738 0.039 0.000 0.899 343 Q HN 0.418 nan 8.270 nan 0.000 0.423 344 K N -0.085 120.339 120.400 0.039 0.000 2.530 344 K HA 0.324 4.648 4.320 0.006 0.000 0.230 344 K C -1.491 175.131 176.600 0.035 0.000 1.002 344 K CA -0.159 56.147 56.287 0.032 0.000 1.014 344 K CB 1.794 34.306 32.500 0.021 0.000 1.286 344 K HN -0.187 nan 8.250 nan 0.000 0.480 345 V N 2.149 122.094 119.914 0.052 0.000 2.381 345 V HA 0.112 4.235 4.120 0.006 0.000 0.257 345 V C 0.177 176.312 176.094 0.070 0.000 1.057 345 V CA -0.254 62.092 62.300 0.076 0.000 1.013 345 V CB 0.347 32.241 31.823 0.119 0.000 1.069 345 V HN 0.713 nan 8.190 nan 0.000 0.484 346 S N 5.522 121.247 115.700 0.042 0.000 2.451 346 S HA 0.767 5.240 4.470 0.006 0.000 0.301 346 S C -0.630 173.993 174.600 0.039 0.000 1.116 346 S CA -0.513 57.682 58.200 -0.008 0.000 1.093 346 S CB 0.761 63.949 63.200 -0.021 0.000 1.017 346 S HN 1.082 nan 8.310 nan 0.000 0.482 347 H N 0.001 119.053 119.070 -0.031 0.000 2.981 347 H HA 0.571 5.130 4.556 0.006 0.000 0.327 347 H C -0.427 174.878 175.328 -0.038 0.000 1.342 347 H CA -0.312 55.699 56.048 -0.063 0.000 1.123 347 H CB 0.853 30.557 29.762 -0.098 0.000 1.851 347 H HN 0.404 nan 8.280 nan 0.000 0.531 348 T N -2.350 112.274 114.554 0.117 0.000 3.415 348 T HA 0.181 4.535 4.350 0.006 0.000 0.282 348 T C 0.364 175.128 174.700 0.107 0.000 1.007 348 T CA 0.091 62.245 62.100 0.090 0.000 0.958 348 T CB -0.475 68.404 68.868 0.018 0.000 1.171 348 T HN 0.614 nan 8.240 nan 0.000 0.500 349 T N 1.189 115.902 114.554 0.265 0.000 2.915 349 T HA 0.100 4.453 4.350 0.006 0.000 0.269 349 T C 0.355 174.839 174.700 -0.360 0.000 1.071 349 T CA 1.009 62.952 62.100 -0.262 0.000 1.132 349 T CB -0.350 68.063 68.868 -0.758 0.000 0.878 349 T HN 0.481 nan 8.240 nan 0.000 0.479 350 F N 1.127 121.088 119.950 0.019 0.000 2.668 350 F HA 0.477 5.007 4.527 0.006 0.000 0.297 350 F C 1.579 177.336 175.800 -0.072 0.000 1.124 350 F CA -0.330 57.640 58.000 -0.051 0.000 1.353 350 F CB -0.375 38.599 39.000 -0.044 0.000 0.992 350 F HN 0.269 nan 8.300 nan 0.000 0.524 351 G N 0.181 108.994 108.800 0.022 0.000 2.545 351 G HA2 -0.102 3.862 3.960 0.006 0.000 0.216 351 G HA3 -0.102 3.862 3.960 0.006 0.000 0.216 351 G C -1.295 173.586 174.900 -0.031 0.000 1.314 351 G CA -0.368 44.654 45.100 -0.130 0.000 0.906 351 G HN 0.582 nan 8.290 nan 0.000 0.563 352 H N -1.279 117.642 119.070 -0.249 0.000 3.081 352 H HA 0.651 5.211 4.556 0.006 0.000 0.322 352 H C 0.463 175.790 175.328 -0.002 0.000 1.266 352 H CA 1.808 57.807 56.048 -0.082 0.000 1.279 352 H CB 1.088 30.840 29.762 -0.017 0.000 1.954 352 H HN 2.710 nan 8.280 nan 0.000 0.530 353 G N 1.116 109.666 108.800 -0.418 0.000 2.568 353 G HA2 -0.234 3.730 3.960 0.006 0.000 0.222 353 G HA3 -0.234 3.730 3.960 0.006 0.000 0.222 353 G C 1.072 175.945 174.900 -0.045 0.000 1.321 353 G CA 0.457 45.499 45.100 -0.097 0.000 0.893 353 G HN 1.448 nan 8.290 nan 0.000 0.569 354 S N -1.004 114.708 115.700 0.020 0.000 2.515 354 S HA -0.005 4.468 4.470 0.006 0.000 0.231 354 S C 1.246 175.729 174.600 -0.195 0.000 0.987 354 S CA 1.708 59.840 58.200 -0.113 0.000 0.936 354 S CB -0.211 62.840 63.200 -0.248 0.000 0.766 354 S HN 0.728 nan 8.310 nan 0.000 0.528 355 H N 0.749 119.800 119.070 -0.032 0.000 2.537 355 H HA 0.366 4.925 4.556 0.006 0.000 0.295 355 H C 0.066 175.364 175.328 -0.050 0.000 1.054 355 H CA -0.408 55.623 56.048 -0.029 0.000 1.156 355 H CB -0.071 29.687 29.762 -0.007 0.000 1.468 355 H HN 0.354 nan 8.280 nan 0.000 0.551 356 L N 1.595 122.819 121.223 0.001 0.000 2.678 356 L HA -0.146 4.197 4.340 0.006 0.000 0.285 356 L C 0.878 177.739 176.870 -0.015 0.000 1.233 356 L CA 0.093 54.922 54.840 -0.018 0.000 0.920 356 L CB 0.163 42.192 42.059 -0.049 0.000 1.176 356 L HN 0.420 nan 8.230 nan 0.000 0.495 357 C N 5.374 124.676 119.300 0.004 0.000 1.986 357 C HA -0.116 4.348 4.460 0.006 0.000 0.404 357 C C 1.780 176.698 174.990 -0.121 0.000 1.551 357 C CA -0.143 58.863 59.018 -0.020 0.000 1.457 357 C CB -0.877 26.899 27.740 0.060 0.000 2.639 357 C HN 0.781 nan 8.230 nan 0.000 0.590 358 L N 5.006 126.185 121.223 -0.074 0.000 2.341 358 L HA 0.177 4.520 4.340 0.006 0.000 0.214 358 L C 2.377 179.173 176.870 -0.122 0.000 1.115 358 L CA 1.283 56.077 54.840 -0.078 0.000 0.820 358 L CB -0.253 41.800 42.059 -0.011 0.000 0.944 358 L HN 0.940 nan 8.230 nan 0.000 0.452 359 G N -0.746 107.976 108.800 -0.130 0.000 3.233 359 G HA2 -0.044 3.919 3.960 0.006 0.000 0.227 359 G HA3 -0.044 3.919 3.960 0.006 0.000 0.227 359 G C 1.289 176.025 174.900 -0.273 0.000 1.175 359 G CA -0.072 44.954 45.100 -0.124 0.000 0.781 359 G HN 0.503 nan 8.290 nan 0.000 0.542 360 Q N -0.376 119.071 119.800 -0.589 0.000 2.224 360 Q HA -0.130 4.214 4.340 0.006 0.000 0.203 360 Q C 1.667 177.189 176.000 -0.796 0.000 0.970 360 Q CA 1.012 56.147 55.803 -1.113 0.000 0.865 360 Q CB -0.425 27.256 28.738 -1.762 0.000 0.922 360 Q HN 0.470 nan 8.270 nan 0.000 0.445 361 H N 0.471 119.381 119.070 -0.266 0.000 2.395 361 H HA -0.038 4.522 4.556 0.006 0.000 0.299 361 H C 2.154 177.435 175.328 -0.079 0.000 1.070 361 H CA 1.226 57.185 56.048 -0.148 0.000 1.356 361 H CB -0.112 29.592 29.762 -0.098 0.000 1.401 361 H HN 0.251 nan 8.280 nan 0.000 0.524 362 L N 1.252 122.486 121.223 0.018 0.000 2.017 362 L HA -0.060 4.284 4.340 0.006 0.000 0.208 362 L C 2.566 179.452 176.870 0.027 0.000 1.073 362 L CA 1.800 56.657 54.840 0.028 0.000 0.745 362 L CB -0.856 41.218 42.059 0.025 0.000 0.894 362 L HN 0.173 nan 8.230 nan 0.000 0.432 363 A N -0.244 122.571 122.820 -0.009 0.000 1.865 363 A HA -0.239 4.085 4.320 0.006 0.000 0.217 363 A C 2.400 180.054 177.584 0.117 0.000 1.191 363 A CA 1.962 54.041 52.037 0.071 0.000 0.623 363 A CB -0.620 18.454 19.000 0.124 0.000 0.826 363 A HN 0.513 nan 8.150 nan 0.000 0.444 364 R N -1.207 119.338 120.500 0.076 0.000 2.091 364 R HA -0.172 4.172 4.340 0.006 0.000 0.238 364 R C 2.442 178.821 176.300 0.132 0.000 1.136 364 R CA 1.656 57.825 56.100 0.115 0.000 0.959 364 R CB -0.306 30.047 30.300 0.088 0.000 0.856 364 R HN 0.469 nan 8.270 nan 0.000 0.437 365 R N 1.589 122.160 120.500 0.117 0.000 2.081 365 R HA -0.123 4.221 4.340 0.006 0.000 0.235 365 R C 1.705 178.125 176.300 0.201 0.000 1.131 365 R CA 1.739 57.920 56.100 0.135 0.000 0.960 365 R CB -0.169 30.197 30.300 0.109 0.000 0.856 365 R HN 0.297 nan 8.270 nan 0.000 0.436 366 E N -0.236 120.097 120.200 0.221 0.000 2.077 366 E HA -0.170 4.184 4.350 0.006 0.000 0.193 366 E C 2.023 178.887 176.600 0.440 0.000 0.989 366 E CA 1.626 58.256 56.400 0.384 0.000 0.800 366 E CB -0.188 29.651 29.700 0.231 0.000 0.746 366 E HN 0.371 nan 8.360 nan 0.000 0.452 367 I N 0.935 121.702 120.570 0.328 0.000 2.179 367 I HA -0.282 3.891 4.170 0.006 0.000 0.242 367 I C 2.390 178.647 176.117 0.234 0.000 1.088 367 I CA 1.132 62.625 61.300 0.320 0.000 1.357 367 I CB -0.237 37.959 38.000 0.326 0.000 1.051 367 I HN 0.097 nan 8.210 nan 0.000 0.409 368 I N -0.058 120.625 120.570 0.187 0.000 2.252 368 I HA -0.242 3.932 4.170 0.006 0.000 0.245 368 I C 2.546 178.739 176.117 0.128 0.000 1.102 368 I CA 1.118 62.496 61.300 0.131 0.000 1.385 368 I CB -0.316 37.748 38.000 0.107 0.000 1.064 368 I HN 0.021 nan 8.210 nan 0.000 0.414 369 V N 0.577 120.589 119.914 0.162 0.000 2.287 369 V HA -0.311 3.812 4.120 0.006 0.000 0.248 369 V C 2.524 178.678 176.094 0.100 0.000 1.053 369 V CA 2.557 64.942 62.300 0.142 0.000 1.027 369 V CB -0.970 30.981 31.823 0.214 0.000 0.646 369 V HN 0.470 nan 8.190 nan 0.000 0.447 370 T N 0.474 115.109 114.554 0.135 0.000 2.652 370 T HA -0.180 4.174 4.350 0.006 0.000 0.267 370 T C 1.882 176.616 174.700 0.056 0.000 1.039 370 T CA 1.788 63.930 62.100 0.070 0.000 1.153 370 T CB -0.351 68.635 68.868 0.197 0.000 0.863 370 T HN 0.291 nan 8.240 nan 0.000 0.428 371 L N 0.475 121.743 121.223 0.075 0.000 2.012 371 L HA -0.146 4.197 4.340 0.006 0.000 0.210 371 L C 2.667 179.584 176.870 0.078 0.000 1.073 371 L CA 1.430 56.307 54.840 0.062 0.000 0.748 371 L CB -0.492 41.600 42.059 0.054 0.000 0.891 371 L HN 0.196 nan 8.230 nan 0.000 0.431 372 K N 0.271 120.709 120.400 0.064 0.000 2.026 372 K HA -0.169 4.154 4.320 0.006 0.000 0.208 372 K C 2.022 178.645 176.600 0.038 0.000 1.048 372 K CA 1.384 57.701 56.287 0.051 0.000 0.929 372 K CB -0.033 32.494 32.500 0.045 0.000 0.713 372 K HN 0.165 nan 8.250 nan 0.000 0.439 373 E N -0.389 119.827 120.200 0.026 0.000 2.152 373 E HA -0.177 4.176 4.350 0.006 0.000 0.192 373 E C 1.831 178.398 176.600 -0.054 0.000 0.983 373 E CA 0.647 57.035 56.400 -0.019 0.000 0.818 373 E CB -0.404 29.277 29.700 -0.033 0.000 0.758 373 E HN 0.495 nan 8.360 nan 0.000 0.467 374 W N 1.679 122.852 121.300 -0.211 0.000 2.380 374 W HA -0.084 4.580 4.660 0.006 0.000 0.317 374 W C 1.912 178.300 176.519 -0.218 0.000 1.196 374 W CA 0.894 58.055 57.345 -0.307 0.000 1.307 374 W CB -0.469 28.741 29.460 -0.416 0.000 1.157 374 W HN 0.010 nan 8.180 nan 0.000 0.483 375 L N 0.524 121.870 121.223 0.204 0.000 2.127 375 L HA -0.256 4.088 4.340 0.006 0.000 0.211 375 L C 2.426 179.317 176.870 0.035 0.000 1.089 375 L CA 1.809 56.755 54.840 0.175 0.000 0.757 375 L CB -1.148 41.009 42.059 0.164 0.000 0.899 375 L HN -0.091 nan 8.230 nan 0.000 0.434 376 T N -0.735 113.811 114.554 -0.014 0.000 2.746 376 T HA -0.174 4.180 4.350 0.006 0.000 0.267 376 T C 2.016 176.656 174.700 -0.101 0.000 1.039 376 T CA 1.393 63.467 62.100 -0.044 0.000 1.142 376 T CB -0.058 68.786 68.868 -0.040 0.000 0.866 376 T HN 0.352 nan 8.240 nan 0.000 0.444 377 R N -0.187 120.193 120.500 -0.200 0.000 2.175 377 R HA 0.338 4.681 4.340 0.006 0.000 0.202 377 R C 0.523 176.606 176.300 -0.362 0.000 1.018 377 R CA 0.568 56.504 56.100 -0.273 0.000 1.029 377 R CB 0.440 30.530 30.300 -0.351 0.000 0.959 377 R HN 0.307 nan 8.270 nan 0.000 0.480 378 I N 2.410 122.677 120.570 -0.505 0.000 2.862 378 I HA 0.183 4.357 4.170 0.006 0.000 0.285 378 I C -1.917 174.155 176.117 -0.075 0.000 1.339 378 I CA -1.640 59.334 61.300 -0.545 0.000 1.002 378 I CB 1.848 39.072 38.000 -1.293 0.000 1.618 378 I HN -0.118 nan 8.210 nan 0.000 0.593 379 P HA -0.120 nan 4.420 nan 0.000 0.218 379 P C 0.198 177.625 177.300 0.212 0.000 1.149 379 P CA 1.325 64.508 63.100 0.140 0.000 0.817 379 P CB 0.315 32.052 31.700 0.061 0.000 0.785 380 D N -0.707 119.816 120.400 0.204 0.000 2.505 380 D HA 0.496 5.139 4.640 0.006 0.000 0.249 380 D C -0.979 175.528 176.300 0.344 0.000 1.082 380 D CA -0.710 53.382 54.000 0.153 0.000 0.839 380 D CB 0.924 41.783 40.800 0.098 0.000 1.317 380 D HN -0.080 nan 8.370 nan 0.000 0.497 381 F N 0.252 120.280 119.950 0.130 0.000 2.744 381 F HA 0.725 5.254 4.527 0.004 0.000 0.311 381 F C -1.326 174.545 175.800 0.119 0.000 1.144 381 F CA -0.963 57.172 58.000 0.226 0.000 0.938 381 F CB 0.829 40.001 39.000 0.286 0.000 1.292 381 F HN 0.163 nan 8.300 nan 0.000 0.444 382 S N 1.206 117.071 115.700 0.274 0.000 2.685 382 S HA 0.675 5.149 4.470 0.006 0.000 0.282 382 S C -1.048 173.648 174.600 0.161 0.000 1.159 382 S CA -0.896 57.357 58.200 0.088 0.000 0.833 382 S CB 1.832 65.057 63.200 0.043 0.000 1.151 382 S HN 0.642 nan 8.310 nan 0.000 0.485 383 I N 1.971 122.581 120.570 0.067 0.000 2.692 383 I HA 0.186 4.360 4.170 0.006 0.000 0.284 383 I C 1.085 177.244 176.117 0.071 0.000 1.159 383 I CA -0.236 61.105 61.300 0.068 0.000 1.423 383 I CB -0.154 37.861 38.000 0.025 0.000 1.380 383 I HN 0.836 nan 8.210 nan 0.000 0.580 384 A N 8.901 131.764 122.820 0.073 0.000 2.531 384 A HA 0.251 4.574 4.320 0.006 0.000 0.236 384 A C -2.037 175.566 177.584 0.031 0.000 1.062 384 A CA -0.723 51.344 52.037 0.050 0.000 0.760 384 A CB -0.891 18.134 19.000 0.042 0.000 0.995 384 A HN 0.519 nan 8.150 nan 0.000 0.501 385 P HA 0.237 nan 4.420 nan 0.000 0.267 385 P C 0.949 178.256 177.300 0.012 0.000 1.205 385 P CA 1.530 64.638 63.100 0.014 0.000 0.765 385 P CB 0.662 32.367 31.700 0.009 0.000 0.828 386 G N 1.732 110.538 108.800 0.010 0.000 2.176 386 G HA2 -0.162 3.802 3.960 0.006 0.000 0.253 386 G HA3 -0.162 3.802 3.960 0.006 0.000 0.253 386 G C 0.363 175.270 174.900 0.012 0.000 0.979 386 G CA 0.068 45.174 45.100 0.009 0.000 0.641 386 G HN 0.879 nan 8.290 nan 0.000 0.530 387 A N -0.075 122.754 122.820 0.016 0.000 2.327 387 A HA 0.723 5.047 4.320 0.006 0.000 0.283 387 A C 0.208 177.801 177.584 0.015 0.000 1.127 387 A CA 0.024 52.072 52.037 0.019 0.000 0.810 387 A CB 0.622 19.639 19.000 0.028 0.000 1.066 387 A HN 0.269 nan 8.150 nan 0.000 0.492 388 Q N 2.007 121.815 119.800 0.014 0.000 2.339 388 Q HA 0.304 4.648 4.340 0.006 0.000 0.268 388 Q C -0.753 175.253 176.000 0.010 0.000 1.027 388 Q CA -0.562 55.245 55.803 0.007 0.000 0.759 388 Q CB 1.519 30.259 28.738 0.004 0.000 1.244 388 Q HN 0.633 nan 8.270 nan 0.000 0.464 389 I N 2.659 123.231 120.570 0.005 0.000 2.556 389 I HA 0.023 4.196 4.170 0.006 0.000 0.284 389 I C 0.732 176.854 176.117 0.007 0.000 1.114 389 I CA 0.310 61.623 61.300 0.022 0.000 1.418 389 I CB 0.126 38.148 38.000 0.037 0.000 1.394 389 I HN 0.393 nan 8.210 nan 0.000 0.552 390 Q N 6.004 125.840 119.800 0.060 0.000 2.282 390 Q HA 0.459 4.803 4.340 0.006 0.000 0.260 390 Q C -0.679 175.456 176.000 0.225 0.000 0.964 390 Q CA -0.611 55.239 55.803 0.077 0.000 0.880 390 Q CB 2.086 30.868 28.738 0.073 0.000 1.286 390 Q HN 0.572 nan 8.270 nan 0.000 0.445 391 H N 0.829 119.960 119.070 0.101 0.000 2.559 391 H HA 0.489 5.048 4.556 0.006 0.000 0.343 391 H C -0.424 174.987 175.328 0.138 0.000 1.209 391 H CA -0.999 55.136 56.048 0.144 0.000 1.287 391 H CB 1.513 31.429 29.762 0.257 0.000 1.650 391 H HN 0.484 nan 8.280 nan 0.000 0.567 392 K N 0.329 120.895 120.400 0.278 0.000 2.502 392 K HA 0.530 4.854 4.320 0.006 0.000 0.257 392 K C -1.327 175.417 176.600 0.240 0.000 0.938 392 K CA -0.855 55.556 56.287 0.207 0.000 0.819 392 K CB 2.620 35.203 32.500 0.139 0.000 1.333 392 K HN 0.349 nan 8.250 nan 0.000 0.434 393 S N -0.105 115.743 115.700 0.248 0.000 2.607 393 S HA 0.937 5.411 4.470 0.006 0.000 0.303 393 S C -0.517 174.215 174.600 0.220 0.000 1.086 393 S CA 0.291 58.673 58.200 0.304 0.000 0.995 393 S CB 1.598 65.013 63.200 0.359 0.000 1.084 393 S HN 1.025 nan 8.310 nan 0.000 0.507 394 G N 1.600 110.484 108.800 0.139 0.000 2.399 394 G HA2 0.171 4.135 3.960 0.006 0.000 0.256 394 G HA3 0.171 4.135 3.960 0.006 0.000 0.256 394 G C 0.170 174.965 174.900 -0.175 0.000 1.236 394 G CA -0.394 44.644 45.100 -0.104 0.000 0.914 394 G HN 0.532 nan 8.290 nan 0.000 0.482 395 I N 0.012 120.462 120.570 -0.200 0.000 2.286 395 I HA 0.027 4.200 4.170 0.006 0.000 0.248 395 I C 0.962 176.985 176.117 -0.158 0.000 1.115 395 I CA 1.480 62.617 61.300 -0.271 0.000 1.392 395 I CB -0.659 37.076 38.000 -0.441 0.000 1.065 395 I HN 0.044 nan 8.210 nan 0.000 0.418 396 V N 0.613 120.497 119.914 -0.050 0.000 2.540 396 V HA 0.286 4.410 4.120 0.006 0.000 0.302 396 V C 0.230 176.336 176.094 0.021 0.000 1.035 396 V CA -0.464 61.820 62.300 -0.028 0.000 0.873 396 V CB 2.067 33.900 31.823 0.017 0.000 0.992 396 V HN 0.116 nan 8.190 nan 0.000 0.428 397 S N 2.065 117.776 115.700 0.019 0.000 2.669 397 S HA 0.893 5.366 4.470 0.006 0.000 0.270 397 S C 0.352 175.097 174.600 0.241 0.000 1.225 397 S CA 0.190 58.471 58.200 0.135 0.000 0.991 397 S CB 1.663 64.913 63.200 0.083 0.000 0.987 397 S HN 1.178 nan 8.310 nan 0.000 0.552 398 G N -0.571 108.347 108.800 0.196 0.000 2.619 398 G HA2 0.532 4.496 3.960 0.006 0.000 0.305 398 G HA3 0.532 4.496 3.960 0.006 0.000 0.305 398 G C -1.933 172.768 174.900 -0.331 0.000 1.330 398 G CA -0.483 44.538 45.100 -0.131 0.000 0.789 398 G HN 0.628 nan 8.290 nan 0.000 0.487 399 V N 1.158 120.788 119.914 -0.473 0.000 2.417 399 V HA 0.327 4.451 4.120 0.006 0.000 0.291 399 V C 0.949 176.996 176.094 -0.079 0.000 1.024 399 V CA -0.535 61.602 62.300 -0.272 0.000 0.861 399 V CB 1.582 33.169 31.823 -0.394 0.000 0.985 399 V HN 0.735 nan 8.190 nan 0.000 0.436 400 Q N 2.531 122.347 119.800 0.027 0.000 2.050 400 Q HA 0.084 4.428 4.340 0.006 0.000 0.202 400 Q C 0.586 176.603 176.000 0.029 0.000 0.980 400 Q CA 1.523 57.347 55.803 0.035 0.000 0.840 400 Q CB 0.371 29.146 28.738 0.061 0.000 0.898 400 Q HN 0.952 nan 8.270 nan 0.000 0.424 401 A N -0.486 122.357 122.820 0.039 0.000 2.605 401 A HA 0.538 4.862 4.320 0.006 0.000 0.294 401 A C -1.947 175.674 177.584 0.062 0.000 1.062 401 A CA -0.612 51.455 52.037 0.050 0.000 0.682 401 A CB 1.132 20.163 19.000 0.051 0.000 1.278 401 A HN 0.097 nan 8.150 nan 0.000 0.410 402 L N 2.735 124.013 121.223 0.092 0.000 2.492 402 L HA 0.552 4.896 4.340 0.006 0.000 0.258 402 L C -2.693 174.257 176.870 0.133 0.000 1.028 402 L CA -1.389 53.508 54.840 0.096 0.000 0.900 402 L CB 2.024 44.137 42.059 0.089 0.000 1.191 402 L HN 0.453 nan 8.230 nan 0.000 0.459 403 P HA 0.301 nan 4.420 nan 0.000 0.287 403 P C -1.085 176.295 177.300 0.134 0.000 1.307 403 P CA -0.101 63.068 63.100 0.114 0.000 0.777 403 P CB 1.094 32.838 31.700 0.074 0.000 0.883 404 L N 4.163 125.511 121.223 0.208 0.000 2.334 404 L HA 0.700 5.043 4.340 0.006 0.000 0.273 404 L C 0.584 177.623 176.870 0.282 0.000 1.013 404 L CA -1.185 53.836 54.840 0.301 0.000 0.816 404 L CB 2.164 44.482 42.059 0.432 0.000 1.278 404 L HN 0.215 nan 8.230 nan 0.000 0.431 405 V N -1.238 118.861 119.914 0.309 0.000 3.102 405 V HA 0.812 4.936 4.120 0.006 0.000 0.312 405 V C -1.486 174.850 176.094 0.402 0.000 1.135 405 V CA -0.654 61.717 62.300 0.117 0.000 1.022 405 V CB 1.845 33.679 31.823 0.019 0.000 1.056 405 V HN 0.983 nan 8.190 nan 0.000 0.436 406 W N 0.053 121.431 121.300 0.130 0.000 2.989 406 W HA 0.736 5.396 4.660 0.001 0.000 0.344 406 W C -1.779 174.783 176.519 0.073 0.000 1.233 406 W CA -0.624 56.800 57.345 0.131 0.000 1.187 406 W CB 0.856 30.427 29.460 0.185 0.000 1.443 406 W HN 0.681 nan 8.180 nan 0.000 0.573 407 D N 1.586 122.160 120.400 0.289 0.000 2.274 407 D HA 0.383 5.027 4.640 0.006 0.000 0.239 407 D C -1.555 174.891 176.300 0.243 0.000 1.104 407 D CA -2.530 51.558 54.000 0.147 0.000 0.840 407 D CB 2.121 42.991 40.800 0.117 0.000 1.100 407 D HN 0.064 nan 8.370 nan 0.000 0.477 408 P HA -0.072 nan 4.420 nan 0.000 0.221 408 P C 0.855 178.236 177.300 0.135 0.000 1.145 408 P CA 0.999 64.221 63.100 0.205 0.000 0.795 408 P CB 0.225 31.983 31.700 0.097 0.000 0.775 409 A N -0.428 122.448 122.820 0.094 0.000 2.067 409 A HA -0.129 4.195 4.320 0.006 0.000 0.219 409 A C 1.999 179.621 177.584 0.064 0.000 1.158 409 A CA 1.999 54.074 52.037 0.063 0.000 0.661 409 A CB -1.646 17.382 19.000 0.046 0.000 0.801 409 A HN 0.344 nan 8.150 nan 0.000 0.452 410 T N -2.444 112.165 114.554 0.091 0.000 3.107 410 T HA 0.177 4.531 4.350 0.006 0.000 0.249 410 T C 0.799 175.531 174.700 0.053 0.000 1.096 410 T CA 0.660 62.805 62.100 0.074 0.000 1.012 410 T CB -0.810 68.115 68.868 0.095 0.000 0.977 410 T HN 0.519 nan 8.240 nan 0.000 0.527 411 T N -0.040 114.546 114.554 0.054 0.000 2.923 411 T HA 0.644 4.998 4.350 0.006 0.000 0.281 411 T C -0.723 173.964 174.700 -0.022 0.000 0.995 411 T CA -1.011 61.083 62.100 -0.010 0.000 0.985 411 T CB 1.731 70.588 68.868 -0.018 0.000 1.114 411 T HN 0.588 nan 8.240 nan 0.000 0.548 412 K N -0.257 120.107 120.400 -0.061 0.000 2.501 412 K HA 0.721 5.045 4.320 0.006 0.000 0.252 412 K C -1.089 175.471 176.600 -0.067 0.000 0.934 412 K CA -1.194 55.064 56.287 -0.047 0.000 0.797 412 K CB 2.012 34.490 32.500 -0.036 0.000 1.270 412 K HN 0.755 nan 8.250 nan 0.000 0.431 413 A N 2.733 125.526 122.820 -0.045 0.000 2.366 413 A HA 0.535 4.858 4.320 0.006 0.000 0.272 413 A C -0.279 177.280 177.584 -0.042 0.000 1.135 413 A CA -0.508 51.501 52.037 -0.047 0.000 0.804 413 A CB 0.624 19.607 19.000 -0.029 0.000 1.064 413 A HN 0.484 nan 8.150 nan 0.000 0.499 414 V N 0.000 119.886 119.914 -0.047 0.000 2.409 414 V HA 0.000 4.124 4.120 0.006 0.000 0.244 414 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 414 V CB 0.000 31.799 31.823 -0.041 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556