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 3mjc_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGQPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EXXXXXXPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.650 174.600 0.084 0.000 1.055 -2 S CA 0.000 58.224 58.200 0.040 0.000 1.107 -2 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 -1 H N 0.111 119.084 119.070 -0.160 0.000 2.353 -1 H HA 0.017 4.583 4.556 0.017 0.000 0.300 -1 H C 1.818 177.019 175.328 -0.211 0.000 1.090 -1 H CA 2.017 57.929 56.048 -0.226 0.000 1.327 -1 H CB -0.188 29.358 29.762 -0.362 0.000 1.383 -1 H HN 0.377 nan 8.280 nan 0.000 0.508 0 M N 0.358 119.913 119.600 -0.075 0.000 2.175 0 M HA -0.139 4.352 4.480 0.018 0.000 0.264 0 M C 1.673 177.961 176.300 -0.019 0.000 1.063 0 M CA 1.127 56.405 55.300 -0.037 0.000 1.119 0 M CB 0.058 32.653 32.600 -0.009 0.000 1.377 0 M HN 0.115 nan 8.290 nan 0.000 0.415 1 D N 0.758 121.138 120.400 -0.034 0.000 2.144 1 D HA -0.097 4.553 4.640 0.018 0.000 0.199 1 D C 1.959 178.208 176.300 -0.085 0.000 0.984 1 D CA 1.560 55.527 54.000 -0.054 0.000 0.834 1 D CB -0.156 40.606 40.800 -0.064 0.000 0.955 1 D HN 0.341 nan 8.370 nan 0.000 0.465 2 A N 0.339 123.108 122.820 -0.085 0.000 2.125 2 A HA -0.070 4.261 4.320 0.018 0.000 0.219 2 A C 2.206 179.760 177.584 -0.050 0.000 1.156 2 A CA 0.635 52.614 52.037 -0.097 0.000 0.671 2 A CB -0.509 18.427 19.000 -0.106 0.000 0.794 2 A HN 0.236 nan 8.150 nan 0.000 0.459 3 L N -1.130 120.091 121.223 -0.004 0.000 2.492 3 L HA 0.073 4.424 4.340 0.018 0.000 0.223 3 L C 0.753 177.701 176.870 0.130 0.000 1.132 3 L CA 0.091 54.997 54.840 0.109 0.000 0.850 3 L CB -0.137 41.985 42.059 0.105 0.000 0.966 3 L HN 0.229 nan 8.230 nan 0.000 0.454 4 R N -0.290 120.189 120.500 -0.035 0.000 2.265 4 R HA 0.466 4.817 4.340 0.018 0.000 0.319 4 R C -1.433 174.763 176.300 -0.173 0.000 1.006 4 R CA -0.370 55.733 56.100 0.006 0.000 0.880 4 R CB 1.121 31.412 30.300 -0.014 0.000 1.077 4 R HN -0.132 nan 8.270 nan 0.000 0.454 5 Y N 1.505 121.878 120.300 0.121 0.000 2.570 5 Y HA 0.365 4.924 4.550 0.016 0.000 0.345 5 Y C 0.463 176.496 175.900 0.222 0.000 1.014 5 Y CA -0.874 57.317 58.100 0.151 0.000 1.063 5 Y CB 1.638 40.166 38.460 0.114 0.000 1.272 5 Y HN 0.590 nan 8.280 nan 0.000 0.477 6 H N 0.183 119.353 119.070 0.166 0.000 2.980 6 H HA 0.501 5.057 4.556 0.001 0.000 0.367 6 H C -1.587 173.781 175.328 0.067 0.000 1.206 6 H CA -1.281 54.828 56.048 0.102 0.000 1.126 6 H CB 0.986 30.786 29.762 0.064 0.000 1.838 6 H HN 0.475 nan 8.280 nan 0.000 0.552 7 I N 2.396 122.907 120.570 -0.099 0.000 2.441 7 I HA 0.146 4.327 4.170 0.018 0.000 0.287 7 I C 0.800 176.701 176.117 -0.359 0.000 1.049 7 I CA 0.078 61.236 61.300 -0.237 0.000 1.381 7 I CB 0.807 38.738 38.000 -0.115 0.000 1.409 7 I HN 0.766 nan 8.210 nan 0.000 0.523 8 E N 4.980 124.931 120.200 -0.414 0.000 2.393 8 E HA 0.572 4.932 4.350 0.018 0.000 0.265 8 E C -1.919 174.495 176.600 -0.311 0.000 0.941 8 E CA -0.884 55.379 56.400 -0.228 0.000 0.801 8 E CB 1.598 31.175 29.700 -0.205 0.000 1.313 8 E HN 0.359 nan 8.360 nan 0.000 0.435 9 W N 0.714 121.982 121.300 -0.054 0.000 2.619 9 W HA 0.424 5.085 4.660 0.001 0.000 0.327 9 W C -0.820 175.694 176.519 -0.008 0.000 1.027 9 W CA -0.428 56.905 57.345 -0.020 0.000 1.233 9 W CB 1.823 31.267 29.460 -0.027 0.000 1.370 9 W HN 0.356 nan 8.180 nan 0.000 0.453 10 N N 2.132 120.937 118.700 0.176 0.000 2.370 10 N HA 0.396 5.146 4.740 0.018 0.000 0.303 10 N C -0.553 175.034 175.510 0.129 0.000 1.103 10 N CA -1.137 51.981 53.050 0.114 0.000 0.848 10 N CB 1.582 40.101 38.487 0.053 0.000 1.235 10 N HN 0.370 nan 8.380 nan 0.000 0.496 11 R N 0.809 121.368 120.500 0.099 0.000 2.570 11 R HA 0.266 4.617 4.340 0.018 0.000 0.277 11 R C -0.032 176.314 176.300 0.076 0.000 1.039 11 R CA -0.243 55.909 56.100 0.086 0.000 1.065 11 R CB 0.135 30.472 30.300 0.062 0.000 0.964 11 R HN 0.454 nan 8.270 nan 0.000 0.428 12 V N 1.226 121.189 119.914 0.082 0.000 3.204 12 V HA 0.823 4.953 4.120 0.018 0.000 0.316 12 V C 0.003 176.131 176.094 0.057 0.000 1.160 12 V CA -0.890 61.452 62.300 0.071 0.000 1.044 12 V CB 1.242 33.118 31.823 0.087 0.000 1.136 12 V HN 0.944 nan 8.190 nan 0.000 0.455 13 A N 0.389 123.239 122.820 0.050 0.000 2.483 13 A HA 0.372 4.702 4.320 0.018 0.000 0.238 13 A C 0.413 178.017 177.584 0.035 0.000 1.070 13 A CA -0.116 51.944 52.037 0.038 0.000 0.770 13 A CB -0.346 18.675 19.000 0.035 0.000 1.008 13 A HN 0.848 nan 8.150 nan 0.000 0.497 14 E N 1.992 122.207 120.200 0.026 0.000 2.384 14 E HA 0.218 4.578 4.350 0.018 0.000 0.266 14 E C -1.764 174.845 176.600 0.015 0.000 1.012 14 E CA -0.981 55.430 56.400 0.018 0.000 0.901 14 E CB 0.144 29.852 29.700 0.012 0.000 0.967 14 E HN 0.517 nan 8.360 nan 0.000 0.435 15 P HA 0.190 nan 4.420 nan 0.000 0.282 15 P C 0.233 177.531 177.300 -0.003 0.000 1.287 15 P CA -0.529 62.572 63.100 0.002 0.000 0.792 15 P CB 0.465 32.156 31.700 -0.015 0.000 1.163 16 G N -0.778 108.018 108.800 -0.006 0.000 2.683 16 G HA2 0.279 4.249 3.960 0.018 0.000 0.260 16 G HA3 0.279 4.249 3.960 0.018 0.000 0.260 16 G C 0.815 175.704 174.900 -0.017 0.000 1.238 16 G CA 0.257 45.352 45.100 -0.008 0.000 0.934 16 G HN 0.595 nan 8.290 nan 0.000 0.534 17 T N -3.322 111.221 114.554 -0.017 0.000 3.069 17 T HA 0.533 4.894 4.350 0.018 0.000 0.252 17 T C 0.798 175.482 174.700 -0.028 0.000 1.053 17 T CA 0.536 62.624 62.100 -0.021 0.000 0.964 17 T CB 0.296 69.156 68.868 -0.015 0.000 1.005 17 T HN 0.813 nan 8.240 nan 0.000 0.532 18 A N 1.643 124.444 122.820 -0.033 0.000 2.301 18 A HA 0.700 5.031 4.320 0.018 0.000 0.312 18 A C 0.382 177.928 177.584 -0.064 0.000 1.182 18 A CA -0.899 51.112 52.037 -0.043 0.000 0.826 18 A CB 0.510 19.487 19.000 -0.038 0.000 1.134 18 A HN 0.503 nan 8.150 nan 0.000 0.501 19 R N 1.880 122.337 120.500 -0.071 0.000 2.740 19 R HA 0.128 4.478 4.340 0.018 0.000 0.263 19 R C -2.264 173.946 176.300 -0.150 0.000 0.997 19 R CA -0.525 55.517 56.100 -0.097 0.000 1.108 19 R CB -0.109 30.145 30.300 -0.077 0.000 0.969 19 R HN 0.460 nan 8.270 nan 0.000 0.431 20 P HA -0.054 nan 4.420 nan 0.000 0.264 20 P C -0.619 176.492 177.300 -0.315 0.000 1.183 20 P CA 0.422 63.248 63.100 -0.456 0.000 0.763 20 P CB 0.934 32.268 31.700 -0.609 0.000 0.807 21 A N 4.045 126.693 122.820 -0.286 0.000 1.877 21 A HA 0.064 4.395 4.320 0.018 0.000 0.216 21 A C 1.399 178.941 177.584 -0.070 0.000 1.186 21 A CA 1.813 53.779 52.037 -0.119 0.000 0.620 21 A CB -1.266 17.702 19.000 -0.053 0.000 0.822 21 A HN 0.615 nan 8.150 nan 0.000 0.443 22 G N -1.358 107.417 108.800 -0.040 0.000 2.525 22 G HA2 0.467 4.437 3.960 0.018 0.000 0.287 22 G HA3 0.467 4.437 3.960 0.018 0.000 0.287 22 G C -0.126 174.818 174.900 0.073 0.000 1.350 22 G CA -0.751 44.378 45.100 0.048 0.000 1.039 22 G HN 0.462 nan 8.290 nan 0.000 0.513 23 R N -0.695 119.874 120.500 0.116 0.000 2.390 23 R HA 0.334 4.685 4.340 0.018 0.000 0.291 23 R C -0.121 176.384 176.300 0.343 0.000 1.070 23 R CA -0.539 55.667 56.100 0.177 0.000 1.014 23 R CB 0.419 30.803 30.300 0.140 0.000 1.007 23 R HN 0.141 nan 8.270 nan 0.000 0.466 24 L N 4.219 125.588 121.223 0.244 0.000 2.399 24 L HA 0.408 4.758 4.340 0.018 0.000 0.265 24 L C -0.394 176.546 176.870 0.115 0.000 1.089 24 L CA -0.688 54.269 54.840 0.196 0.000 0.802 24 L CB 0.938 43.047 42.059 0.085 0.000 1.180 24 L HN 0.535 nan 8.230 nan 0.000 0.454 25 L N 1.965 123.098 121.223 -0.150 0.000 2.319 25 L HA 0.705 5.056 4.340 0.018 0.000 0.281 25 L C -0.220 176.543 176.870 -0.180 0.000 1.005 25 L CA -0.207 54.400 54.840 -0.388 0.000 0.828 25 L CB 1.279 42.723 42.059 -1.025 0.000 1.227 25 L HN 0.678 nan 8.230 nan 0.000 0.415 26 A N 5.003 127.765 122.820 -0.097 0.000 2.305 26 A HA 0.768 5.098 4.320 0.018 0.000 0.322 26 A C -1.019 176.541 177.584 -0.040 0.000 1.187 26 A CA -0.543 51.463 52.037 -0.052 0.000 0.825 26 A CB 1.201 20.177 19.000 -0.040 0.000 1.164 26 A HN 0.530 nan 8.150 nan 0.000 0.498 27 V N 3.967 123.865 119.914 -0.028 0.000 2.384 27 V HA 0.431 4.561 4.120 0.018 0.000 0.287 27 V C -0.320 175.719 176.094 -0.092 0.000 1.020 27 V CA -0.073 62.211 62.300 -0.026 0.000 0.850 27 V CB 0.965 32.804 31.823 0.027 0.000 0.987 27 V HN 0.744 nan 8.190 nan 0.000 0.436 28 I N 2.930 123.397 120.570 -0.171 0.000 2.569 28 I HA 0.409 4.589 4.170 0.018 0.000 0.296 28 I C 0.205 176.206 176.117 -0.193 0.000 1.028 28 I CA -0.356 60.844 61.300 -0.166 0.000 1.082 28 I CB 2.274 40.175 38.000 -0.165 0.000 1.264 28 I HN 0.545 nan 8.210 nan 0.000 0.429 29 S N 6.539 122.173 115.700 -0.110 0.000 2.411 29 S HA 0.342 4.822 4.470 0.018 0.000 0.294 29 S C -1.440 173.131 174.600 -0.048 0.000 1.115 29 S CA -1.570 56.598 58.200 -0.054 0.000 1.071 29 S CB 0.753 63.985 63.200 0.053 0.000 0.967 29 S HN 0.410 nan 8.310 nan 0.000 0.488 30 P HA -0.009 nan 4.420 nan 0.000 0.223 30 P C 0.242 177.472 177.300 -0.116 0.000 1.151 30 P CA 0.784 63.816 63.100 -0.113 0.000 0.787 30 P CB 0.152 31.773 31.700 -0.131 0.000 0.788 31 D N -1.236 119.087 120.400 -0.129 0.000 2.349 31 D HA -0.026 4.625 4.640 0.018 0.000 0.224 31 D C 0.151 176.103 176.300 -0.580 0.000 1.029 31 D CA 0.742 54.541 54.000 -0.335 0.000 0.879 31 D CB -0.319 40.251 40.800 -0.382 0.000 0.906 31 D HN 0.437 nan 8.370 nan 0.000 0.528 32 H N -0.949 118.085 119.070 -0.059 0.000 2.825 32 H HA 0.461 5.027 4.556 0.018 0.000 0.226 32 H C 0.244 175.508 175.328 -0.107 0.000 1.414 32 H CA -0.171 55.843 56.048 -0.057 0.000 1.198 32 H CB 1.009 30.757 29.762 -0.024 0.000 2.013 32 H HN -0.005 nan 8.280 nan 0.000 0.530 33 A N 0.114 122.896 122.820 -0.063 0.000 2.538 33 A HA 0.358 4.688 4.320 0.018 0.000 0.269 33 A C 1.978 179.477 177.584 -0.142 0.000 1.231 33 A CA 0.424 52.383 52.037 -0.129 0.000 0.948 33 A CB 0.116 19.040 19.000 -0.127 0.000 1.110 33 A HN 0.538 nan 8.150 nan 0.000 0.529 34 G N -0.439 108.298 108.800 -0.106 0.000 2.986 34 G HA2 0.408 4.378 3.960 0.018 0.000 0.213 34 G HA3 0.408 4.378 3.960 0.018 0.000 0.213 34 G C 0.731 175.584 174.900 -0.078 0.000 1.156 34 G CA 0.667 45.716 45.100 -0.085 0.000 0.763 34 G HN 0.706 nan 8.290 nan 0.000 0.547 35 A N 0.951 123.703 122.820 -0.113 0.000 2.462 35 A HA 0.527 4.858 4.320 0.018 0.000 0.243 35 A C -0.675 176.859 177.584 -0.084 0.000 1.076 35 A CA -0.821 51.180 52.037 -0.060 0.000 0.773 35 A CB 0.793 19.766 19.000 -0.045 0.000 1.010 35 A HN 0.063 nan 8.150 nan 0.000 0.493 36 P HA -0.189 nan 4.420 nan 0.000 0.216 36 P C 1.552 178.905 177.300 0.088 0.000 1.153 36 P CA 1.959 65.093 63.100 0.055 0.000 0.858 36 P CB -0.139 31.617 31.700 0.094 0.000 0.789 37 W N -0.956 120.353 121.300 0.015 0.000 2.402 37 W HA -0.068 4.606 4.660 0.024 0.000 0.286 37 W C 1.242 177.769 176.519 0.013 0.000 1.221 37 W CA 0.545 57.898 57.345 0.015 0.000 1.257 37 W CB -1.710 27.763 29.460 0.023 0.000 1.120 37 W HN -0.226 nan 8.180 nan 0.000 0.551 38 V N 2.189 121.682 119.914 -0.702 0.000 2.358 38 V HA -0.287 3.844 4.120 0.018 0.000 0.246 38 V C 2.624 178.551 176.094 -0.279 0.000 1.047 38 V CA 2.767 64.648 62.300 -0.699 0.000 1.035 38 V CB -1.395 29.981 31.823 -0.744 0.000 0.658 38 V HN 0.187 nan 8.190 nan 0.000 0.452 39 T N 0.329 114.773 114.554 -0.183 0.000 2.720 39 T HA -0.190 4.171 4.350 0.018 0.000 0.268 39 T C 2.020 176.693 174.700 -0.045 0.000 1.037 39 T CA 1.738 63.782 62.100 -0.092 0.000 1.144 39 T CB -0.367 68.466 68.868 -0.057 0.000 0.864 39 T HN 0.577 nan 8.240 nan 0.000 0.444 40 A N 0.611 123.428 122.820 -0.005 0.000 1.898 40 A HA -0.010 4.321 4.320 0.018 0.000 0.216 40 A C 2.567 180.169 177.584 0.031 0.000 1.181 40 A CA 1.173 53.228 52.037 0.031 0.000 0.620 40 A CB -0.893 18.152 19.000 0.076 0.000 0.819 40 A HN 0.355 nan 8.150 nan 0.000 0.442 41 V N 0.189 120.129 119.914 0.043 0.000 2.295 41 V HA -0.257 3.874 4.120 0.018 0.000 0.246 41 V C 2.584 178.674 176.094 -0.007 0.000 1.049 41 V CA 1.996 64.321 62.300 0.042 0.000 1.024 41 V CB -0.753 31.123 31.823 0.088 0.000 0.648 41 V HN 0.577 nan 8.190 nan 0.000 0.447 42 L N 0.003 121.201 121.223 -0.042 0.000 2.042 42 L HA -0.233 4.117 4.340 0.018 0.000 0.210 42 L C 2.371 179.224 176.870 -0.029 0.000 1.076 42 L CA 2.084 56.897 54.840 -0.045 0.000 0.749 42 L CB -0.672 41.347 42.059 -0.067 0.000 0.893 42 L HN 0.406 nan 8.230 nan 0.000 0.432 43 D N -0.054 120.332 120.400 -0.024 0.000 2.144 43 D HA -0.164 4.486 4.640 0.018 0.000 0.199 43 D C 2.144 178.436 176.300 -0.012 0.000 0.984 43 D CA 1.270 55.261 54.000 -0.016 0.000 0.834 43 D CB 0.136 40.929 40.800 -0.012 0.000 0.955 43 D HN 0.252 nan 8.370 nan 0.000 0.465 44 A N -0.017 122.799 122.820 -0.008 0.000 1.969 44 A HA -0.053 4.277 4.320 0.018 0.000 0.218 44 A C 2.289 179.862 177.584 -0.019 0.000 1.169 44 A CA 0.824 52.854 52.037 -0.011 0.000 0.635 44 A CB -0.658 18.339 19.000 -0.005 0.000 0.810 44 A HN 0.377 nan 8.150 nan 0.000 0.445 45 L N -1.185 120.027 121.223 -0.019 0.000 2.376 45 L HA 0.197 4.547 4.340 0.018 0.000 0.219 45 L C 1.321 178.181 176.870 -0.016 0.000 1.133 45 L CA 0.394 55.221 54.840 -0.022 0.000 0.816 45 L CB -1.128 40.920 42.059 -0.018 0.000 0.933 45 L HN 0.611 nan 8.230 nan 0.000 0.449 46 G N 0.278 109.070 108.800 -0.015 0.000 2.730 46 G HA2 -0.164 3.806 3.960 0.018 0.000 0.686 46 G HA3 -0.164 3.806 3.960 0.018 0.000 0.686 46 G C -2.128 172.769 174.900 -0.006 0.000 1.343 46 G CA -0.306 44.788 45.100 -0.011 0.000 0.826 46 G HN 0.041 nan 8.290 nan 0.000 0.582 47 P HA 0.082 nan 4.420 nan 0.000 0.236 47 P C 0.600 177.905 177.300 0.009 0.000 1.177 47 P CA 1.200 64.299 63.100 -0.001 0.000 0.773 47 P CB 0.235 31.933 31.700 -0.004 0.000 0.878 48 D N -0.263 120.144 120.400 0.012 0.000 2.317 48 D HA -0.015 4.636 4.640 0.018 0.000 0.211 48 D C 0.540 176.868 176.300 0.047 0.000 0.966 48 D CA 0.706 54.721 54.000 0.024 0.000 0.876 48 D CB -0.691 40.120 40.800 0.018 0.000 0.927 48 D HN 0.122 nan 8.370 nan 0.000 0.519 49 T N 1.208 115.785 114.554 0.040 0.000 2.902 49 T HA 0.134 4.494 4.350 0.018 0.000 0.301 49 T C 0.507 175.246 174.700 0.065 0.000 1.012 49 T CA -0.216 61.919 62.100 0.057 0.000 1.151 49 T CB 1.449 70.332 68.868 0.025 0.000 0.946 49 T HN -0.237 nan 8.240 nan 0.000 0.542 50 V N 5.261 125.241 119.914 0.109 0.000 2.583 50 V HA 0.325 4.456 4.120 0.018 0.000 0.287 50 V C 0.481 176.592 176.094 0.029 0.000 1.051 50 V CA -0.421 61.940 62.300 0.102 0.000 1.010 50 V CB 0.953 32.911 31.823 0.226 0.000 0.988 50 V HN 0.676 nan 8.190 nan 0.000 0.478 51 R N 3.666 124.184 120.500 0.030 0.000 2.393 51 R HA 0.551 4.902 4.340 0.018 0.000 0.310 51 R C -0.948 175.382 176.300 0.051 0.000 0.968 51 R CA -0.258 55.846 56.100 0.007 0.000 0.867 51 R CB 1.367 31.653 30.300 -0.023 0.000 1.124 51 R HN 0.665 nan 8.270 nan 0.000 0.450 52 F N 1.743 121.610 119.950 -0.138 0.000 2.460 52 F HA 0.368 4.906 4.527 0.017 0.000 0.341 52 F C -0.433 175.248 175.800 -0.199 0.000 1.130 52 F CA -0.610 57.291 58.000 -0.166 0.000 0.962 52 F CB 1.349 40.226 39.000 -0.205 0.000 1.171 52 F HN 0.450 nan 8.300 nan 0.000 0.436 53 E N 5.195 124.929 120.200 -0.777 0.000 2.152 53 E HA 0.400 4.760 4.350 0.018 0.000 0.285 53 E C -0.585 175.257 176.600 -1.263 0.000 1.043 53 E CA -0.597 55.349 56.400 -0.756 0.000 0.839 53 E CB 1.293 30.751 29.700 -0.404 0.000 1.069 53 E HN 0.658 nan 8.360 nan 0.000 0.399 54 A N 4.923 127.081 122.820 -1.102 0.000 2.391 54 A HA 0.163 4.493 4.320 0.018 0.000 0.316 54 A C -0.183 177.123 177.584 -0.463 0.000 1.381 54 A CA -0.457 50.822 52.037 -1.264 0.000 0.998 54 A CB 0.026 18.241 19.000 -1.307 0.000 1.147 54 A HN 0.487 nan 8.150 nan 0.000 0.545 55 K N 2.232 122.555 120.400 -0.128 0.000 2.211 55 K HA 0.547 4.878 4.320 0.018 0.000 0.275 55 K C 1.029 177.886 176.600 0.428 0.000 1.024 55 K CA 0.523 56.902 56.287 0.154 0.000 0.887 55 K CB 1.340 33.885 32.500 0.075 0.000 1.084 55 K HN 1.166 nan 8.250 nan 0.000 0.463 56 G N 2.038 111.010 108.800 0.285 0.000 2.547 56 G HA2 -0.312 3.658 3.960 0.018 0.000 0.271 56 G HA3 -0.312 3.658 3.960 0.018 0.000 0.271 56 G C -0.261 174.819 174.900 0.300 0.000 1.209 56 G CA 0.207 45.443 45.100 0.226 0.000 0.959 56 G HN 0.720 nan 8.290 nan 0.000 0.563 57 T N -2.871 111.726 114.554 0.071 0.000 3.446 57 T HA 0.524 4.884 4.350 0.018 0.000 0.289 57 T C -1.181 173.282 174.700 -0.395 0.000 1.203 57 T CA 0.470 62.465 62.100 -0.175 0.000 1.645 57 T CB 1.361 70.302 68.868 0.120 0.000 0.841 57 T HN 0.808 nan 8.240 nan 0.000 0.617 58 D N 1.286 121.200 120.400 -0.809 0.000 2.375 58 D HA 0.307 4.958 4.640 0.018 0.000 0.259 58 D C 1.121 176.971 176.300 -0.751 0.000 1.235 58 D CA -0.775 52.899 54.000 -0.542 0.000 0.924 58 D CB 1.535 42.177 40.800 -0.263 0.000 1.143 58 D HN 0.380 nan 8.370 nan 0.000 0.529 59 R N 2.631 122.827 120.500 -0.506 0.000 2.094 59 R HA -0.220 4.130 4.340 0.018 0.000 0.239 59 R C 1.735 177.964 176.300 -0.117 0.000 1.137 59 R CA 2.126 58.044 56.100 -0.303 0.000 0.943 59 R CB -0.038 30.157 30.300 -0.174 0.000 0.850 59 R HN 0.413 nan 8.270 nan 0.000 0.433 60 A N 0.318 123.084 122.820 -0.089 0.000 1.940 60 A HA -0.114 4.216 4.320 0.018 0.000 0.219 60 A C 2.310 179.915 177.584 0.035 0.000 1.176 60 A CA 1.806 53.833 52.037 -0.016 0.000 0.631 60 A CB -0.691 18.298 19.000 -0.017 0.000 0.814 60 A HN 0.591 nan 8.150 nan 0.000 0.446 61 A N -1.471 121.367 122.820 0.030 0.000 1.929 61 A HA -0.031 4.300 4.320 0.018 0.000 0.216 61 A C 1.908 179.687 177.584 0.325 0.000 1.176 61 A CA 1.260 53.384 52.037 0.145 0.000 0.628 61 A CB -0.686 18.406 19.000 0.153 0.000 0.816 61 A HN 0.715 nan 8.150 nan 0.000 0.444 62 W N -0.121 121.249 121.300 0.118 0.000 2.388 62 W HA 0.080 4.750 4.660 0.017 0.000 0.294 62 W C 2.693 179.218 176.519 0.010 0.000 1.212 62 W CA 0.296 57.731 57.345 0.151 0.000 1.271 62 W CB -1.283 28.301 29.460 0.206 0.000 1.126 62 W HN 0.415 nan 8.180 nan 0.000 0.535 63 A N 0.742 123.696 122.820 0.222 0.000 1.908 63 A HA -0.060 4.270 4.320 0.018 0.000 0.218 63 A C 2.271 179.892 177.584 0.062 0.000 1.181 63 A CA 2.882 54.977 52.037 0.095 0.000 0.627 63 A CB -1.069 17.966 19.000 0.059 0.000 0.818 63 A HN 0.141 nan 8.150 nan 0.000 0.445 64 A N -0.945 121.928 122.820 0.089 0.000 1.930 64 A HA -0.149 4.182 4.320 0.018 0.000 0.217 64 A C 2.109 179.732 177.584 0.064 0.000 1.175 64 A CA 1.550 53.629 52.037 0.070 0.000 0.627 64 A CB -0.473 18.572 19.000 0.076 0.000 0.815 64 A HN 0.647 nan 8.150 nan 0.000 0.443 65 Q N -0.411 119.448 119.800 0.099 0.000 2.079 65 Q HA -0.015 4.336 4.340 0.018 0.000 0.200 65 Q C 2.001 177.950 176.000 -0.084 0.000 0.974 65 Q CA 1.292 57.142 55.803 0.078 0.000 0.840 65 Q CB -0.287 28.605 28.738 0.256 0.000 0.898 65 Q HN 0.659 nan 8.270 nan 0.000 0.430 66 L N 0.122 121.215 121.223 -0.217 0.000 2.093 66 L HA -0.147 4.204 4.340 0.018 0.000 0.208 66 L C 2.495 179.314 176.870 -0.085 0.000 1.085 66 L CA 0.826 55.498 54.840 -0.280 0.000 0.755 66 L CB -0.579 41.288 42.059 -0.320 0.000 0.904 66 L HN 0.211 nan 8.230 nan 0.000 0.435 67 A N -0.307 122.493 122.820 -0.033 0.000 1.908 67 A HA -0.306 4.024 4.320 0.018 0.000 0.218 67 A C 2.229 179.823 177.584 0.017 0.000 1.181 67 A CA 2.042 54.080 52.037 0.003 0.000 0.627 67 A CB -0.522 18.485 19.000 0.012 0.000 0.818 67 A HN 0.402 nan 8.150 nan 0.000 0.445 68 Q N -0.203 119.609 119.800 0.019 0.000 2.050 68 Q HA -0.059 4.292 4.340 0.018 0.000 0.202 68 Q C 1.901 177.929 176.000 0.047 0.000 0.980 68 Q CA 1.634 57.457 55.803 0.032 0.000 0.840 68 Q CB -0.449 28.314 28.738 0.041 0.000 0.898 68 Q HN 0.657 nan 8.270 nan 0.000 0.424 69 L N -0.025 121.231 121.223 0.055 0.000 2.079 69 L HA -0.207 4.144 4.340 0.018 0.000 0.210 69 L C 2.560 179.534 176.870 0.174 0.000 1.081 69 L CA 1.703 56.620 54.840 0.128 0.000 0.752 69 L CB -0.382 41.752 42.059 0.125 0.000 0.896 69 L HN 0.235 nan 8.230 nan 0.000 0.433 70 R N 0.426 121.013 120.500 0.146 0.000 2.189 70 R HA -0.192 4.159 4.340 0.018 0.000 0.223 70 R C 2.056 178.359 176.300 0.005 0.000 1.092 70 R CA 1.570 57.742 56.100 0.120 0.000 0.989 70 R CB -0.011 30.346 30.300 0.096 0.000 0.876 70 R HN 0.597 nan 8.270 nan 0.000 0.457 71 E N -0.730 119.475 120.200 0.009 0.000 2.206 71 E HA -0.077 4.284 4.350 0.018 0.000 0.195 71 E C 0.916 177.502 176.600 -0.023 0.000 0.935 71 E CA 0.326 56.718 56.400 -0.013 0.000 0.875 71 E CB -0.104 29.597 29.700 0.002 0.000 0.841 71 E HN 0.186 nan 8.360 nan 0.000 0.477 72 D N 1.457 121.855 120.400 -0.002 0.000 2.103 72 D HA -0.188 4.462 4.640 0.018 0.000 0.190 72 D C 1.793 178.075 176.300 -0.030 0.000 0.997 72 D CA 1.606 55.606 54.000 -0.000 0.000 0.833 72 D CB -0.003 40.816 40.800 0.030 0.000 0.961 72 D HN 0.330 nan 8.370 nan 0.000 0.447 73 E N 0.111 120.281 120.200 -0.050 0.000 2.318 73 E HA 0.233 4.594 4.350 0.018 0.000 0.193 73 E C 1.531 177.942 176.600 -0.316 0.000 0.998 73 E CA 0.638 56.946 56.400 -0.153 0.000 0.859 73 E CB 0.341 29.980 29.700 -0.103 0.000 0.812 73 E HN 0.277 nan 8.360 nan 0.000 0.492 74 G N 2.580 111.211 108.800 -0.281 0.000 2.660 74 G HA2 -0.267 3.704 3.960 0.018 0.000 0.215 74 G HA3 -0.267 3.704 3.960 0.018 0.000 0.215 74 G C -0.354 174.281 174.900 -0.441 0.000 1.345 74 G CA -0.137 44.797 45.100 -0.276 0.000 0.877 74 G HN 0.310 nan 8.290 nan 0.000 0.549 75 E N -0.494 119.531 120.200 -0.292 0.000 2.383 75 E HA 0.543 4.903 4.350 0.018 0.000 0.264 75 E C -0.739 175.668 176.600 -0.321 0.000 1.050 75 E CA -0.379 55.888 56.400 -0.222 0.000 0.896 75 E CB 0.639 30.294 29.700 -0.075 0.000 0.982 75 E HN 0.371 nan 8.360 nan 0.000 0.424 76 F N 0.737 120.698 119.950 0.018 0.000 2.483 76 F HA 0.167 4.705 4.527 0.018 0.000 0.329 76 F C 1.635 177.472 175.800 0.062 0.000 1.064 76 F CA -0.697 57.329 58.000 0.043 0.000 0.986 76 F CB 1.325 40.343 39.000 0.030 0.000 1.218 76 F HN 0.662 nan 8.300 nan 0.000 0.484 77 H N 1.009 120.209 119.070 0.216 0.000 2.363 77 H HA 0.352 4.918 4.556 0.017 0.000 0.301 77 H C -0.254 175.166 175.328 0.154 0.000 1.074 77 H CA 1.292 57.423 56.048 0.137 0.000 1.354 77 H CB 0.379 30.199 29.762 0.097 0.000 1.397 77 H HN 0.573 nan 8.280 nan 0.000 0.516 78 A N 0.142 123.089 122.820 0.212 0.000 2.608 78 A HA 0.462 4.793 4.320 0.018 0.000 0.292 78 A C -1.470 176.187 177.584 0.122 0.000 1.066 78 A CA -0.531 51.602 52.037 0.159 0.000 0.676 78 A CB 1.310 20.470 19.000 0.267 0.000 1.277 78 A HN 0.015 nan 8.150 nan 0.000 0.413 79 V N 1.140 121.103 119.914 0.080 0.000 2.370 79 V HA 0.509 4.640 4.120 0.018 0.000 0.279 79 V C -0.400 175.736 176.094 0.069 0.000 1.029 79 V CA -0.477 61.821 62.300 -0.002 0.000 0.870 79 V CB 1.313 33.106 31.823 -0.050 0.000 0.984 79 V HN 0.676 nan 8.190 nan 0.000 0.451 80 V N 4.037 123.974 119.914 0.039 0.000 2.313 80 V HA 0.385 4.515 4.120 0.018 0.000 0.278 80 V C 0.324 176.452 176.094 0.056 0.000 1.017 80 V CA -0.228 62.117 62.300 0.074 0.000 0.823 80 V CB 1.495 33.341 31.823 0.037 0.000 1.010 80 V HN 0.864 nan 8.190 nan 0.000 0.443 81 S N 4.551 120.304 115.700 0.090 0.000 2.499 81 S HA 0.587 5.067 4.470 0.018 0.000 0.279 81 S C 0.205 174.874 174.600 0.116 0.000 1.219 81 S CA -0.529 57.721 58.200 0.083 0.000 1.062 81 S CB 0.938 64.201 63.200 0.104 0.000 0.978 81 S HN 0.538 nan 8.310 nan 0.000 0.489 82 L N 5.797 127.058 121.223 0.063 0.000 2.910 82 L HA 0.381 4.731 4.340 0.018 0.000 0.252 82 L C 1.379 178.281 176.870 0.052 0.000 1.195 82 L CA 0.342 55.206 54.840 0.041 0.000 1.003 82 L CB -0.191 41.778 42.059 -0.152 0.000 1.328 82 L HN 0.649 nan 8.230 nan 0.000 0.540 83 L N 0.003 121.279 121.223 0.088 0.000 2.353 83 L HA -0.141 4.209 4.340 0.018 0.000 0.220 83 L C 2.604 179.560 176.870 0.142 0.000 1.133 83 L CA 0.959 55.853 54.840 0.091 0.000 0.798 83 L CB -0.626 41.492 42.059 0.099 0.000 0.922 83 L HN 0.426 nan 8.230 nan 0.000 0.445 84 A N 0.356 123.317 122.820 0.236 0.000 2.070 84 A HA -0.101 4.229 4.320 0.018 0.000 0.220 84 A C 2.529 180.296 177.584 0.305 0.000 1.159 84 A CA 1.413 53.615 52.037 0.275 0.000 0.656 84 A CB -0.461 18.742 19.000 0.339 0.000 0.800 84 A HN 0.396 nan 8.150 nan 0.000 0.453 85 A N -0.295 122.728 122.820 0.337 0.000 2.070 85 A HA 0.362 4.693 4.320 0.018 0.000 0.220 85 A C 1.500 179.136 177.584 0.088 0.000 1.159 85 A CA 0.987 53.190 52.037 0.276 0.000 0.656 85 A CB -0.708 18.305 19.000 0.022 0.000 0.800 85 A HN 1.081 nan 8.150 nan 0.000 0.453 86 A N 0.386 123.184 122.820 -0.037 0.000 2.539 86 A HA 0.427 4.758 4.320 0.018 0.000 0.306 86 A C 0.613 178.053 177.584 -0.240 0.000 1.392 86 A CA -0.195 51.600 52.037 -0.403 0.000 1.060 86 A CB -0.238 18.561 19.000 -0.335 0.000 1.134 86 A HN 0.539 nan 8.150 nan 0.000 0.542 87 E N 2.048 122.129 120.200 -0.199 0.000 2.431 87 E HA 0.155 4.516 4.350 0.018 0.000 0.200 87 E C 0.966 177.531 176.600 -0.059 0.000 0.995 87 E CA 0.252 56.622 56.400 -0.050 0.000 0.915 87 E CB 0.370 30.085 29.700 0.024 0.000 0.930 87 E HN 0.813 nan 8.360 nan 0.000 0.496 88 A N 1.587 124.337 122.820 -0.117 0.000 2.498 88 A HA 0.128 4.458 4.320 0.018 0.000 0.239 88 A C 0.199 177.783 177.584 -0.000 0.000 1.068 88 A CA -0.068 51.959 52.037 -0.015 0.000 0.766 88 A CB 0.045 19.084 19.000 0.065 0.000 1.003 88 A HN 0.173 nan 8.150 nan 0.000 0.497 89 L N 2.961 124.205 121.223 0.035 0.000 2.456 89 L HA 0.059 4.410 4.340 0.018 0.000 0.272 89 L C 1.248 178.184 176.870 0.109 0.000 1.189 89 L CA -0.288 54.591 54.840 0.065 0.000 0.846 89 L CB 0.172 42.265 42.059 0.056 0.000 1.111 89 L HN 0.768 nan 8.230 nan 0.000 0.475 90 H N 2.069 121.171 119.070 0.052 0.000 2.928 90 H HA -0.055 4.511 4.556 0.017 0.000 0.338 90 H C 1.061 176.414 175.328 0.043 0.000 1.047 90 H CA 0.677 56.770 56.048 0.075 0.000 1.435 90 H CB 1.310 31.152 29.762 0.134 0.000 1.428 90 H HN 0.822 nan 8.280 nan 0.000 0.590 91 T N 0.641 115.239 114.554 0.073 0.000 2.881 91 T HA -0.125 4.235 4.350 0.018 0.000 0.270 91 T C 0.920 175.691 174.700 0.117 0.000 1.068 91 T CA 1.398 63.545 62.100 0.077 0.000 1.131 91 T CB 0.189 69.051 68.868 -0.010 0.000 0.871 91 T HN 0.532 nan 8.240 nan 0.000 0.479 92 D N 0.514 121.073 120.400 0.264 0.000 2.360 92 D HA 0.064 4.715 4.640 0.018 0.000 0.210 92 D C 0.059 176.046 176.300 -0.521 0.000 1.047 92 D CA 0.351 54.252 54.000 -0.165 0.000 0.854 92 D CB 0.163 40.763 40.800 -0.333 0.000 0.936 92 D HN 0.570 nan 8.370 nan 0.000 0.514 93 H N -0.383 118.717 119.070 0.050 0.000 2.761 93 H HA 0.293 4.860 4.556 0.017 0.000 0.263 93 H C 1.056 176.390 175.328 0.011 0.000 1.292 93 H CA -0.318 55.689 56.048 -0.069 0.000 1.540 93 H CB 1.068 30.678 29.762 -0.253 0.000 1.569 93 H HN -0.050 nan 8.280 nan 0.000 0.510 94 G N 0.943 109.789 108.800 0.076 0.000 2.776 94 G HA2 -0.116 3.854 3.960 0.018 0.000 0.209 94 G HA3 -0.116 3.854 3.960 0.018 0.000 0.209 94 G C 0.884 175.807 174.900 0.038 0.000 1.145 94 G CA 0.154 45.292 45.100 0.063 0.000 0.791 94 G HN 0.337 nan 8.290 nan 0.000 0.530 95 S N -0.615 115.102 115.700 0.028 0.000 2.540 95 S HA 0.262 4.742 4.470 0.018 0.000 0.218 95 S C 0.200 174.781 174.600 -0.032 0.000 0.977 95 S CA -0.249 57.935 58.200 -0.026 0.000 0.918 95 S CB 0.977 64.153 63.200 -0.039 0.000 0.806 95 S HN 0.043 nan 8.310 nan 0.000 0.496 96 V N 4.082 124.008 119.914 0.021 0.000 2.357 96 V HA 0.358 4.489 4.120 0.018 0.000 0.284 96 V C -2.700 173.433 176.094 0.066 0.000 1.018 96 V CA -2.407 59.906 62.300 0.022 0.000 0.841 96 V CB 1.259 33.092 31.823 0.017 0.000 0.991 96 V HN 0.017 nan 8.190 nan 0.000 0.437 97 P HA 0.035 nan 4.420 nan 0.000 0.265 97 P C 0.772 178.123 177.300 0.085 0.000 1.193 97 P CA -0.140 62.986 63.100 0.044 0.000 0.765 97 P CB 0.756 32.473 31.700 0.029 0.000 0.823 98 L N 4.690 125.956 121.223 0.071 0.000 2.043 98 L HA -0.142 4.209 4.340 0.018 0.000 0.212 98 L C 2.167 179.100 176.870 0.106 0.000 1.075 98 L CA 2.703 57.603 54.840 0.100 0.000 0.752 98 L CB -1.564 40.491 42.059 -0.007 0.000 0.891 98 L HN 0.519 nan 8.230 nan 0.000 0.432 99 G N -0.963 107.869 108.800 0.052 0.000 2.422 99 G HA2 -0.234 3.737 3.960 0.018 0.000 0.218 99 G HA3 -0.234 3.737 3.960 0.018 0.000 0.218 99 G C 1.545 176.520 174.900 0.125 0.000 1.140 99 G CA 0.810 45.963 45.100 0.088 0.000 0.775 99 G HN 0.420 nan 8.290 nan 0.000 0.545 100 L N 1.234 122.523 121.223 0.110 0.000 2.044 100 L HA 0.275 4.626 4.340 0.018 0.000 0.205 100 L C 3.037 179.969 176.870 0.105 0.000 1.075 100 L CA 2.021 56.924 54.840 0.104 0.000 0.747 100 L CB -0.706 41.399 42.059 0.078 0.000 0.903 100 L HN 0.196 nan 8.230 nan 0.000 0.435 101 A N -1.020 121.868 122.820 0.112 0.000 1.908 101 A HA -0.273 4.057 4.320 0.018 0.000 0.218 101 A C 2.213 179.897 177.584 0.166 0.000 1.181 101 A CA 1.994 54.094 52.037 0.105 0.000 0.627 101 A CB -0.628 18.474 19.000 0.171 0.000 0.818 101 A HN 0.669 nan 8.150 nan 0.000 0.445 102 Q N -1.184 118.767 119.800 0.251 0.000 2.172 102 Q HA -0.097 4.253 4.340 0.018 0.000 0.200 102 Q C 2.104 178.326 176.000 0.371 0.000 0.964 102 Q CA 1.643 57.702 55.803 0.427 0.000 0.855 102 Q CB -0.265 28.713 28.738 0.399 0.000 0.918 102 Q HN 0.687 nan 8.270 nan 0.000 0.444 103 T N 1.527 116.220 114.554 0.231 0.000 2.777 103 T HA -0.133 4.227 4.350 0.018 0.000 0.266 103 T C 1.771 176.576 174.700 0.176 0.000 1.040 103 T CA 0.926 63.144 62.100 0.195 0.000 1.141 103 T CB -0.219 68.745 68.868 0.161 0.000 0.868 103 T HN 0.155 nan 8.240 nan 0.000 0.444 104 L N 0.867 122.167 121.223 0.129 0.000 2.017 104 L HA 0.032 4.382 4.340 0.018 0.000 0.208 104 L C 2.158 179.085 176.870 0.095 0.000 1.073 104 L CA 1.636 56.521 54.840 0.075 0.000 0.745 104 L CB -0.611 41.465 42.059 0.028 0.000 0.894 104 L HN 0.229 nan 8.230 nan 0.000 0.432 105 L N -1.306 119.995 121.223 0.131 0.000 2.093 105 L HA -0.183 4.168 4.340 0.018 0.000 0.208 105 L C 2.437 179.492 176.870 0.307 0.000 1.085 105 L CA 0.861 55.761 54.840 0.099 0.000 0.755 105 L CB -0.484 41.478 42.059 -0.162 0.000 0.904 105 L HN 0.394 nan 8.230 nan 0.000 0.435 106 L N 0.162 121.668 121.223 0.472 0.000 1.994 106 L HA -0.159 4.191 4.340 0.018 0.000 0.208 106 L C 2.649 179.630 176.870 0.184 0.000 1.071 106 L CA 2.125 57.192 54.840 0.377 0.000 0.745 106 L CB -0.804 41.413 42.059 0.264 0.000 0.892 106 L HN 0.140 nan 8.230 nan 0.000 0.431 107 A N -1.037 121.862 122.820 0.132 0.000 1.917 107 A HA -0.301 4.030 4.320 0.018 0.000 0.219 107 A C 2.203 179.773 177.584 -0.024 0.000 1.182 107 A CA 2.140 54.203 52.037 0.044 0.000 0.633 107 A CB -0.676 18.341 19.000 0.029 0.000 0.819 107 A HN 0.703 nan 8.150 nan 0.000 0.448 108 Q N -0.960 118.847 119.800 0.011 0.000 2.079 108 Q HA -0.025 4.325 4.340 0.018 0.000 0.200 108 Q C 2.399 178.399 176.000 0.001 0.000 0.974 108 Q CA 1.313 57.103 55.803 -0.022 0.000 0.840 108 Q CB -0.343 28.391 28.738 -0.007 0.000 0.898 108 Q HN 0.684 nan 8.270 nan 0.000 0.430 109 A N 0.554 123.417 122.820 0.071 0.000 2.014 109 A HA -0.094 4.237 4.320 0.018 0.000 0.218 109 A C 2.006 179.611 177.584 0.035 0.000 1.163 109 A CA 0.784 52.874 52.037 0.088 0.000 0.652 109 A CB -0.450 18.689 19.000 0.231 0.000 0.808 109 A HN 0.252 nan 8.150 nan 0.000 0.449 110 L N -0.800 120.432 121.223 0.014 0.000 2.027 110 L HA -0.102 4.248 4.340 0.018 0.000 0.206 110 L C 2.882 179.730 176.870 -0.038 0.000 1.074 110 L CA 1.173 55.999 54.840 -0.023 0.000 0.745 110 L CB -0.854 41.192 42.059 -0.023 0.000 0.898 110 L HN 0.468 nan 8.230 nan 0.000 0.433 111 G N -0.343 108.412 108.800 -0.076 0.000 2.440 111 G HA2 -0.285 3.685 3.960 0.018 0.000 0.218 111 G HA3 -0.285 3.685 3.960 0.018 0.000 0.218 111 G C 1.127 176.003 174.900 -0.039 0.000 1.154 111 G CA 1.033 46.079 45.100 -0.090 0.000 0.767 111 G HN 0.308 nan 8.290 nan 0.000 0.552 112 D N 0.957 121.342 120.400 -0.025 0.000 2.149 112 D HA -0.041 4.610 4.640 0.018 0.000 0.198 112 D C 2.643 178.943 176.300 -0.000 0.000 0.990 112 D CA 1.329 55.326 54.000 -0.006 0.000 0.839 112 D CB -0.332 40.471 40.800 0.004 0.000 0.948 112 D HN 0.356 nan 8.370 nan 0.000 0.460 113 A N -0.519 122.300 122.820 -0.002 0.000 2.218 113 A HA 0.414 4.745 4.320 0.018 0.000 0.209 113 A C 1.728 179.314 177.584 0.003 0.000 1.168 113 A CA 1.023 53.060 52.037 0.000 0.000 0.804 113 A CB -0.120 18.873 19.000 -0.012 0.000 0.834 113 A HN 0.248 nan 8.150 nan 0.000 0.482 114 G N -1.227 107.573 108.800 -0.000 0.000 2.147 114 G HA2 -0.186 3.784 3.960 0.018 0.000 0.244 114 G HA3 -0.186 3.784 3.960 0.018 0.000 0.244 114 G C -0.170 174.741 174.900 0.017 0.000 1.005 114 G CA 0.241 45.345 45.100 0.007 0.000 0.713 114 G HN 0.363 nan 8.290 nan 0.000 0.515 115 L N 1.176 122.409 121.223 0.017 0.000 2.360 115 L HA 0.524 4.875 4.340 0.018 0.000 0.276 115 L C 1.736 178.624 176.870 0.031 0.000 1.121 115 L CA 1.198 56.063 54.840 0.043 0.000 0.845 115 L CB 1.445 43.529 42.059 0.042 0.000 1.143 115 L HN 0.363 nan 8.230 nan 0.000 0.452 116 T N -0.930 113.651 114.554 0.045 0.000 3.044 116 T HA 0.422 4.783 4.350 0.018 0.000 0.260 116 T C 0.690 175.406 174.700 0.026 0.000 1.019 116 T CA 0.079 62.195 62.100 0.027 0.000 0.921 116 T CB 0.245 69.126 68.868 0.021 0.000 1.053 116 T HN 0.518 nan 8.240 nan 0.000 0.533 117 A N 2.991 125.841 122.820 0.051 0.000 2.498 117 A HA 0.540 4.870 4.320 0.018 0.000 0.239 117 A C -2.471 175.113 177.584 -0.000 0.000 1.068 117 A CA -1.147 50.913 52.037 0.040 0.000 0.766 117 A CB -0.236 18.833 19.000 0.115 0.000 1.003 117 A HN 0.248 nan 8.150 nan 0.000 0.497 118 P HA 0.247 nan 4.420 nan 0.000 0.271 118 P C -0.620 176.601 177.300 -0.132 0.000 1.216 118 P CA -0.234 62.797 63.100 -0.115 0.000 0.776 118 P CB 0.546 32.139 31.700 -0.179 0.000 0.881 119 L N 4.613 125.693 121.223 -0.237 0.000 2.276 119 L HA 0.483 4.834 4.340 0.018 0.000 0.286 119 L C -1.423 175.059 176.870 -0.646 0.000 1.061 119 L CA -0.203 54.507 54.840 -0.218 0.000 0.807 119 L CB 0.046 42.112 42.059 0.012 0.000 1.177 119 L HN 0.302 nan 8.230 nan 0.000 0.429 120 W N 4.517 125.614 121.300 -0.338 0.000 2.529 120 W HA 0.548 5.217 4.660 0.015 0.000 0.321 120 W C -0.739 175.640 176.519 -0.234 0.000 1.047 120 W CA -0.349 56.751 57.345 -0.408 0.000 1.216 120 W CB 1.791 31.101 29.460 -0.249 0.000 1.357 120 W HN 0.450 nan 8.180 nan 0.000 0.489 121 C N 5.072 124.356 119.300 -0.026 0.000 2.264 121 C HA 0.568 5.039 4.460 0.018 0.000 0.324 121 C C 0.254 175.296 174.990 0.087 0.000 1.267 121 C CA -0.766 58.297 59.018 0.075 0.000 1.618 121 C CB -0.927 26.880 27.740 0.112 0.000 2.278 121 C HN 0.427 nan 8.230 nan 0.000 0.499 122 L N 3.996 125.328 121.223 0.183 0.000 2.343 122 L HA 0.729 5.080 4.340 0.018 0.000 0.275 122 L C 0.624 177.621 176.870 0.211 0.000 1.056 122 L CA 0.119 55.088 54.840 0.214 0.000 0.804 122 L CB 1.611 43.872 42.059 0.336 0.000 1.203 122 L HN 0.769 nan 8.230 nan 0.000 0.440 123 T N -0.922 113.658 114.554 0.043 0.000 2.865 123 T HA 0.632 4.993 4.350 0.018 0.000 0.294 123 T C -0.714 173.634 174.700 -0.587 0.000 1.119 123 T CA -0.975 61.048 62.100 -0.128 0.000 1.007 123 T CB 2.546 71.578 68.868 0.273 0.000 1.225 123 T HN 0.345 nan 8.240 nan 0.000 0.515 124 R N 0.083 120.106 120.500 -0.794 0.000 2.468 124 R HA 0.593 4.944 4.340 0.018 0.000 0.302 124 R C 0.707 176.775 176.300 -0.387 0.000 1.041 124 R CA -0.205 55.431 56.100 -0.774 0.000 0.899 124 R CB 0.279 29.661 30.300 -1.531 0.000 1.167 124 R HN 1.542 nan 8.270 nan 0.000 0.483 125 G N 2.231 110.872 108.800 -0.265 0.000 2.160 125 G HA2 -0.256 3.715 3.960 0.018 0.000 0.244 125 G HA3 -0.256 3.715 3.960 0.018 0.000 0.244 125 G C 0.629 175.429 174.900 -0.166 0.000 1.022 125 G CA 0.379 45.365 45.100 -0.191 0.000 0.741 125 G HN 0.763 nan 8.290 nan 0.000 0.508 126 G N -1.301 107.400 108.800 -0.165 0.000 2.838 126 G HA2 0.514 4.484 3.960 0.018 0.000 0.210 126 G HA3 0.514 4.484 3.960 0.018 0.000 0.210 126 G C 0.733 175.385 174.900 -0.412 0.000 1.153 126 G CA 1.477 46.480 45.100 -0.162 0.000 0.778 126 G HN 1.746 nan 8.290 nan 0.000 0.539 127 V N -3.878 115.741 119.914 -0.492 0.000 3.130 127 V HA 0.879 5.009 4.120 0.018 0.000 0.310 127 V C -0.719 175.094 176.094 -0.468 0.000 1.158 127 V CA -1.340 60.620 62.300 -0.567 0.000 1.029 127 V CB 1.622 32.931 31.823 -0.855 0.000 1.057 127 V HN 0.294 nan 8.190 nan 0.000 0.436 128 A N 1.661 124.242 122.820 -0.397 0.000 2.322 128 A HA 0.934 5.264 4.320 0.018 0.000 0.327 128 A C 0.122 177.347 177.584 -0.599 0.000 1.394 128 A CA 0.052 51.871 52.037 -0.363 0.000 0.921 128 A CB 0.108 19.003 19.000 -0.175 0.000 1.153 128 A HN 2.196 nan 8.150 nan 0.000 0.523 129 A N 2.453 124.799 122.820 -0.789 0.000 2.332 129 A HA 0.865 5.196 4.320 0.018 0.000 0.300 129 A C 0.346 177.640 177.584 -0.485 0.000 1.153 129 A CA 0.087 51.448 52.037 -1.126 0.000 0.764 129 A CB 0.423 18.384 19.000 -1.731 0.000 1.174 129 A HN 2.728 nan 8.150 nan 0.000 0.467 130 G N 1.284 109.939 108.800 -0.242 0.000 2.663 130 G HA2 0.034 4.004 3.960 0.018 0.000 0.686 130 G HA3 0.034 4.004 3.960 0.018 0.000 0.686 130 G C -0.218 174.635 174.900 -0.079 0.000 1.246 130 G CA -0.473 44.566 45.100 -0.101 0.000 0.795 130 G HN 1.145 nan 8.290 nan 0.000 0.627 131 R N 0.950 121.428 120.500 -0.036 0.000 2.458 131 R HA 0.407 4.757 4.340 0.018 0.000 0.303 131 R C 1.608 177.883 176.300 -0.042 0.000 1.013 131 R CA 1.683 57.769 56.100 -0.024 0.000 1.026 131 R CB -0.344 29.950 30.300 -0.009 0.000 0.948 131 R HN 2.536 nan 8.270 nan 0.000 0.417 132 G N 3.374 112.147 108.800 -0.045 0.000 2.176 132 G HA2 -0.284 3.686 3.960 0.018 0.000 0.253 132 G HA3 -0.284 3.686 3.960 0.018 0.000 0.253 132 G C -0.029 174.827 174.900 -0.075 0.000 0.979 132 G CA 0.348 45.416 45.100 -0.053 0.000 0.641 132 G HN 0.709 nan 8.290 nan 0.000 0.530 133 D N 0.020 120.359 120.400 -0.101 0.000 2.341 133 D HA 0.485 5.136 4.640 0.018 0.000 0.245 133 D C 0.361 176.586 176.300 -0.126 0.000 1.106 133 D CA -0.021 53.899 54.000 -0.134 0.000 0.905 133 D CB 1.371 42.047 40.800 -0.207 0.000 1.202 133 D HN 0.179 nan 8.370 nan 0.000 0.426 134 V N 4.551 124.394 119.914 -0.119 0.000 2.384 134 V HA 0.217 4.348 4.120 0.018 0.000 0.287 134 V C 0.126 176.160 176.094 -0.101 0.000 1.020 134 V CA -0.852 61.389 62.300 -0.098 0.000 0.850 134 V CB 1.463 33.242 31.823 -0.073 0.000 0.987 134 V HN 0.497 nan 8.190 nan 0.000 0.436 135 L N 5.294 126.466 121.223 -0.086 0.000 2.363 135 L HA 0.221 4.572 4.340 0.018 0.000 0.286 135 L C 1.433 178.338 176.870 0.059 0.000 1.106 135 L CA 0.052 54.846 54.840 -0.077 0.000 0.859 135 L CB 1.174 43.173 42.059 -0.099 0.000 1.223 135 L HN 0.891 nan 8.230 nan 0.000 0.446 136 S N 0.712 116.420 115.700 0.014 0.000 2.503 136 S HA 0.031 4.511 4.470 0.018 0.000 0.217 136 S C 0.835 175.403 174.600 -0.054 0.000 0.999 136 S CA 0.031 58.273 58.200 0.071 0.000 0.914 136 S CB 0.262 63.471 63.200 0.014 0.000 0.782 136 S HN 0.527 nan 8.310 nan 0.000 0.520 137 S N 2.475 118.113 115.700 -0.102 0.000 2.395 137 S HA 0.472 4.953 4.470 0.018 0.000 0.207 137 S C -2.321 172.213 174.600 -0.111 0.000 1.454 137 S CA -1.526 56.604 58.200 -0.116 0.000 1.211 137 S CB 1.080 64.255 63.200 -0.042 0.000 1.093 137 S HN 0.037 nan 8.310 nan 0.000 0.472 138 P HA -0.123 nan 4.420 nan 0.000 0.219 138 P C 1.742 179.083 177.300 0.069 0.000 1.146 138 P CA 1.164 64.160 63.100 -0.173 0.000 0.808 138 P CB -0.345 31.115 31.700 -0.401 0.000 0.779 139 V N -1.677 118.337 119.914 0.166 0.000 2.343 139 V HA -0.265 3.865 4.120 0.018 0.000 0.247 139 V C 2.300 178.502 176.094 0.180 0.000 1.051 139 V CA 1.663 64.097 62.300 0.224 0.000 1.036 139 V CB -2.015 29.879 31.823 0.119 0.000 0.654 139 V HN 0.078 nan 8.190 nan 0.000 0.451 140 Q N 1.080 120.962 119.800 0.136 0.000 2.167 140 Q HA 0.004 4.355 4.340 0.018 0.000 0.202 140 Q C 2.414 178.571 176.000 0.262 0.000 0.970 140 Q CA 1.351 57.264 55.803 0.183 0.000 0.855 140 Q CB -0.558 28.266 28.738 0.144 0.000 0.911 140 Q HN 0.776 nan 8.270 nan 0.000 0.438 141 G N 1.105 109.997 108.800 0.154 0.000 2.475 141 G HA2 -0.280 3.691 3.960 0.018 0.000 0.220 141 G HA3 -0.280 3.691 3.960 0.018 0.000 0.220 141 G C 1.475 176.521 174.900 0.243 0.000 1.125 141 G CA 0.889 46.066 45.100 0.129 0.000 0.755 141 G HN 0.421 nan 8.290 nan 0.000 0.565 142 A N 0.471 123.439 122.820 0.247 0.000 1.972 142 A HA 0.093 4.424 4.320 0.018 0.000 0.219 142 A C 2.367 180.091 177.584 0.232 0.000 1.169 142 A CA 1.130 53.308 52.037 0.234 0.000 0.635 142 A CB -0.329 18.800 19.000 0.215 0.000 0.810 142 A HN 0.380 nan 8.150 nan 0.000 0.446 143 L N -2.432 118.954 121.223 0.272 0.000 2.187 143 L HA -0.224 4.127 4.340 0.018 0.000 0.213 143 L C 2.416 179.415 176.870 0.214 0.000 1.100 143 L CA 1.052 56.025 54.840 0.223 0.000 0.765 143 L CB -0.382 41.806 42.059 0.216 0.000 0.904 143 L HN 0.616 nan 8.230 nan 0.000 0.437 144 W N -0.299 121.075 121.300 0.124 0.000 2.388 144 W HA -0.027 4.652 4.660 0.031 0.000 0.294 144 W C 2.487 179.058 176.519 0.087 0.000 1.212 144 W CA 1.110 58.539 57.345 0.141 0.000 1.271 144 W CB -1.054 28.497 29.460 0.152 0.000 1.126 144 W HN 0.075 nan 8.180 nan 0.000 0.535 145 G N 0.348 109.311 108.800 0.272 0.000 2.421 145 G HA2 -0.255 3.715 3.960 0.018 0.000 0.216 145 G HA3 -0.255 3.715 3.960 0.018 0.000 0.216 145 G C 1.475 176.407 174.900 0.052 0.000 1.171 145 G CA 1.142 46.319 45.100 0.130 0.000 0.775 145 G HN 0.209 nan 8.290 nan 0.000 0.543 146 L N 1.582 122.829 121.223 0.040 0.000 2.046 146 L HA 0.149 4.499 4.340 0.018 0.000 0.208 146 L C 2.764 179.535 176.870 -0.164 0.000 1.077 146 L CA 2.422 57.241 54.840 -0.035 0.000 0.747 146 L CB -0.975 41.084 42.059 -0.000 0.000 0.896 146 L HN 0.159 nan 8.230 nan 0.000 0.432 147 G N -0.848 107.863 108.800 -0.148 0.000 2.418 147 G HA2 -0.253 3.718 3.960 0.018 0.000 0.217 147 G HA3 -0.253 3.718 3.960 0.018 0.000 0.217 147 G C 1.753 176.292 174.900 -0.601 0.000 1.158 147 G CA 0.733 45.585 45.100 -0.413 0.000 0.771 147 G HN 0.392 nan 8.290 nan 0.000 0.545 148 R N -0.312 120.075 120.500 -0.188 0.000 2.096 148 R HA -0.034 4.317 4.340 0.018 0.000 0.235 148 R C 2.629 178.780 176.300 -0.249 0.000 1.127 148 R CA 1.166 57.190 56.100 -0.127 0.000 0.968 148 R CB -0.412 29.942 30.300 0.090 0.000 0.861 148 R HN 0.330 nan 8.270 nan 0.000 0.440 149 V N 1.229 121.010 119.914 -0.222 0.000 2.453 149 V HA -0.190 3.940 4.120 0.018 0.000 0.247 149 V C 2.198 178.090 176.094 -0.336 0.000 1.048 149 V CA 1.439 63.617 62.300 -0.203 0.000 1.049 149 V CB -0.363 31.394 31.823 -0.111 0.000 0.672 149 V HN 0.275 nan 8.190 nan 0.000 0.457 150 I N 1.137 121.398 120.570 -0.515 0.000 2.208 150 I HA -0.214 3.966 4.170 0.018 0.000 0.245 150 I C 2.594 178.290 176.117 -0.701 0.000 1.097 150 I CA 1.821 62.768 61.300 -0.589 0.000 1.363 150 I CB -0.941 36.533 38.000 -0.876 0.000 1.051 150 I HN 0.421 nan 8.210 nan 0.000 0.413 151 G N 0.950 109.090 108.800 -1.100 0.000 2.422 151 G HA2 -0.171 3.799 3.960 0.018 0.000 0.218 151 G HA3 -0.171 3.799 3.960 0.018 0.000 0.218 151 G C 1.689 176.401 174.900 -0.314 0.000 1.146 151 G CA 0.501 45.182 45.100 -0.700 0.000 0.769 151 G HN 0.301 nan 8.290 nan 0.000 0.547 152 L N -0.397 120.629 121.223 -0.330 0.000 2.270 152 L HA 0.132 4.483 4.340 0.018 0.000 0.210 152 L C 2.661 179.372 176.870 -0.266 0.000 1.104 152 L CA 0.747 55.414 54.840 -0.288 0.000 0.804 152 L CB -0.113 41.795 42.059 -0.251 0.000 0.937 152 L HN 0.240 nan 8.230 nan 0.000 0.450 153 E N -1.355 118.664 120.200 -0.300 0.000 2.276 153 E HA 0.027 4.388 4.350 0.018 0.000 0.193 153 E C 0.197 176.399 176.600 -0.663 0.000 0.983 153 E CA 0.415 56.556 56.400 -0.432 0.000 0.861 153 E CB 0.459 29.888 29.700 -0.452 0.000 0.817 153 E HN 0.439 nan 8.360 nan 0.000 0.485 154 H N 0.012 119.008 119.070 -0.122 0.000 2.511 154 H HA 0.139 4.706 4.556 0.017 0.000 0.228 154 H C -1.921 173.393 175.328 -0.025 0.000 1.424 154 H CA -1.528 54.484 56.048 -0.060 0.000 1.321 154 H CB 0.805 30.543 29.762 -0.041 0.000 1.720 154 H HN 0.111 nan 8.280 nan 0.000 0.512 155 P HA -0.134 nan 4.420 nan 0.000 0.218 155 P C 0.833 178.172 177.300 0.064 0.000 1.149 155 P CA 1.036 64.154 63.100 0.029 0.000 0.817 155 P CB 0.627 32.301 31.700 -0.043 0.000 0.785 156 D N 0.172 120.603 120.400 0.052 0.000 2.269 156 D HA -0.087 4.563 4.640 0.018 0.000 0.208 156 D C 1.805 178.129 176.300 0.040 0.000 0.963 156 D CA 0.824 54.846 54.000 0.036 0.000 0.864 156 D CB -0.058 40.758 40.800 0.027 0.000 0.936 156 D HN 0.468 nan 8.370 nan 0.000 0.505 157 R N -0.637 119.912 120.500 0.081 0.000 2.546 157 R HA 0.116 4.466 4.340 0.018 0.000 0.320 157 R C 0.237 176.595 176.300 0.097 0.000 1.021 157 R CA -0.482 55.656 56.100 0.063 0.000 1.088 157 R CB -0.217 30.112 30.300 0.047 0.000 1.278 157 R HN 0.036 nan 8.270 nan 0.000 0.557 158 W N 1.259 122.471 121.300 -0.147 0.000 2.376 158 W HA 0.401 5.070 4.660 0.015 0.000 0.312 158 W C -0.304 175.963 176.519 -0.421 0.000 1.060 158 W CA -0.544 56.652 57.345 -0.248 0.000 1.221 158 W CB 1.848 31.192 29.460 -0.195 0.000 1.281 158 W HN 0.187 nan 8.180 nan 0.000 0.456 159 G N 3.057 111.008 108.800 -1.415 0.000 2.518 159 G HA2 0.397 4.368 3.960 0.018 0.000 0.213 159 G HA3 0.397 4.368 3.960 0.018 0.000 0.213 159 G C 0.302 173.573 174.900 -2.714 0.000 1.226 159 G CA 0.908 44.712 45.100 -2.161 0.000 0.822 159 G HN 0.835 nan 8.290 nan 0.000 0.546 160 G N -1.655 105.355 108.800 -2.984 0.000 2.351 160 G HA2 0.378 4.349 3.960 0.018 0.000 0.279 160 G HA3 0.378 4.349 3.960 0.018 0.000 0.279 160 G C -1.961 172.462 174.900 -0.795 0.000 1.297 160 G CA -0.830 43.264 45.100 -1.677 0.000 0.886 160 G HN 0.466 nan 8.290 nan 0.000 0.493 161 L N 0.145 121.209 121.223 -0.265 0.000 2.346 161 L HA 0.808 5.158 4.340 0.018 0.000 0.274 161 L C -0.465 176.388 176.870 -0.028 0.000 1.007 161 L CA -0.806 53.803 54.840 -0.384 0.000 0.818 161 L CB 2.083 43.351 42.059 -1.318 0.000 1.284 161 L HN 0.474 nan 8.230 nan 0.000 0.424 162 I N 1.378 122.000 120.570 0.086 0.000 2.512 162 I HA 0.243 4.424 4.170 0.018 0.000 0.287 162 I C -1.209 175.099 176.117 0.319 0.000 1.069 162 I CA -0.466 60.993 61.300 0.265 0.000 1.056 162 I CB 2.301 40.379 38.000 0.129 0.000 1.229 162 I HN 0.495 nan 8.210 nan 0.000 0.429 163 D N 5.984 126.653 120.400 0.447 0.000 2.210 163 D HA 0.546 5.196 4.640 0.018 0.000 0.249 163 D C -0.748 175.568 176.300 0.026 0.000 1.078 163 D CA -0.077 54.049 54.000 0.210 0.000 0.875 163 D CB 1.227 42.096 40.800 0.115 0.000 1.175 163 D HN 0.306 nan 8.370 nan 0.000 0.440 164 L N 4.794 125.960 121.223 -0.096 0.000 2.375 164 L HA 0.534 4.884 4.340 0.018 0.000 0.268 164 L C -1.808 174.987 176.870 -0.124 0.000 1.058 164 L CA -1.828 52.960 54.840 -0.087 0.000 0.803 164 L CB 1.460 43.479 42.059 -0.066 0.000 1.212 164 L HN 0.401 nan 8.230 nan 0.000 0.451 165 P HA 0.097 nan 4.420 nan 0.000 0.277 165 P C -0.001 177.266 177.300 -0.055 0.000 1.271 165 P CA -0.381 62.674 63.100 -0.074 0.000 0.795 165 P CB 0.875 32.548 31.700 -0.045 0.000 1.101 166 E N -0.577 119.596 120.200 -0.046 0.000 2.085 166 E HA -0.078 4.283 4.350 0.018 0.000 0.194 166 E C 0.048 176.663 176.600 0.025 0.000 0.994 166 E CA 1.475 57.867 56.400 -0.013 0.000 0.801 166 E CB -0.281 29.411 29.700 -0.014 0.000 0.743 166 E HN 0.506 nan 8.360 nan 0.000 0.453 167 T N 1.099 115.663 114.554 0.016 0.000 2.772 167 T HA 0.318 4.679 4.350 0.018 0.000 0.288 167 T C -0.169 174.550 174.700 0.032 0.000 0.994 167 T CA -0.468 61.651 62.100 0.031 0.000 0.951 167 T CB 2.210 71.090 68.868 0.019 0.000 0.933 167 T HN -0.232 nan 8.240 nan 0.000 0.447 168 V N 5.297 125.243 119.914 0.053 0.000 2.223 168 V HA 0.147 4.277 4.120 0.018 0.000 0.249 168 V C 0.642 176.754 176.094 0.031 0.000 1.233 168 V CA -0.822 61.507 62.300 0.048 0.000 1.131 168 V CB -1.119 30.753 31.823 0.080 0.000 1.298 168 V HN 0.899 nan 8.190 nan 0.000 0.498 169 D N 2.600 123.011 120.400 0.018 0.000 2.440 169 D HA 0.080 4.730 4.640 0.018 0.000 0.269 169 D C 1.580 177.884 176.300 0.007 0.000 1.249 169 D CA 0.232 54.239 54.000 0.011 0.000 1.055 169 D CB 0.408 41.212 40.800 0.007 0.000 1.104 169 D HN 0.361 nan 8.370 nan 0.000 0.561 170 T N -2.959 111.597 114.554 0.003 0.000 2.904 170 T HA -0.134 4.227 4.350 0.018 0.000 0.267 170 T C 1.924 176.622 174.700 -0.003 0.000 1.059 170 T CA 1.154 63.254 62.100 -0.001 0.000 1.137 170 T CB -0.235 68.632 68.868 -0.002 0.000 0.879 170 T HN 0.365 nan 8.240 nan 0.000 0.467 171 R N 1.418 121.916 120.500 -0.002 0.000 2.075 171 R HA 0.168 4.519 4.340 0.018 0.000 0.232 171 R C 2.724 179.021 176.300 -0.004 0.000 1.126 171 R CA 1.366 57.464 56.100 -0.004 0.000 0.963 171 R CB -0.875 29.424 30.300 -0.002 0.000 0.858 171 R HN 0.481 nan 8.270 nan 0.000 0.435 172 A N 0.473 123.293 122.820 -0.001 0.000 1.877 172 A HA -0.131 4.200 4.320 0.018 0.000 0.216 172 A C 2.372 179.955 177.584 -0.002 0.000 1.186 172 A CA 1.811 53.848 52.037 0.000 0.000 0.620 172 A CB -1.117 17.887 19.000 0.007 0.000 0.822 172 A HN 0.505 nan 8.150 nan 0.000 0.443 173 A N -0.166 122.655 122.820 0.001 0.000 1.892 173 A HA 0.070 4.400 4.320 0.018 0.000 0.218 173 A C 2.511 180.082 177.584 -0.021 0.000 1.188 173 A CA 2.452 54.486 52.037 -0.005 0.000 0.631 173 A CB -1.066 17.933 19.000 -0.002 0.000 0.822 173 A HN 1.151 nan 8.150 nan 0.000 0.447 174 A N -0.635 122.173 122.820 -0.020 0.000 1.930 174 A HA -0.107 4.224 4.320 0.018 0.000 0.217 174 A C 2.219 179.782 177.584 -0.034 0.000 1.175 174 A CA 1.452 53.472 52.037 -0.027 0.000 0.627 174 A CB -0.404 18.584 19.000 -0.019 0.000 0.815 174 A HN 0.555 nan 8.150 nan 0.000 0.443 175 R N -1.111 119.373 120.500 -0.027 0.000 2.073 175 R HA -0.108 4.243 4.340 0.018 0.000 0.234 175 R C 2.128 178.393 176.300 -0.059 0.000 1.134 175 R CA 1.462 57.544 56.100 -0.030 0.000 0.952 175 R CB -0.563 29.729 30.300 -0.013 0.000 0.850 175 R HN 0.492 nan 8.270 nan 0.000 0.433 176 L N 0.829 122.016 121.223 -0.061 0.000 1.989 176 L HA -0.195 4.155 4.340 0.018 0.000 0.211 176 L C 2.318 179.099 176.870 -0.148 0.000 1.071 176 L CA 2.511 57.291 54.840 -0.101 0.000 0.749 176 L CB -0.951 41.072 42.059 -0.059 0.000 0.890 176 L HN 0.341 nan 8.230 nan 0.000 0.431 177 T N -3.716 110.774 114.554 -0.106 0.000 2.951 177 T HA -0.003 4.357 4.350 0.018 0.000 0.268 177 T C 1.954 176.582 174.700 -0.119 0.000 1.073 177 T CA 0.689 62.720 62.100 -0.116 0.000 1.134 177 T CB -1.346 67.473 68.868 -0.082 0.000 0.884 177 T HN 0.410 nan 8.240 nan 0.000 0.479 178 G N 1.899 110.642 108.800 -0.094 0.000 2.446 178 G HA2 -0.076 3.895 3.960 0.018 0.000 0.217 178 G HA3 -0.076 3.895 3.960 0.018 0.000 0.217 178 G C 1.499 176.340 174.900 -0.099 0.000 1.168 178 G CA 0.782 45.836 45.100 -0.077 0.000 0.771 178 G HN 0.516 nan 8.290 nan 0.000 0.551 179 L N -0.020 121.116 121.223 -0.145 0.000 2.083 179 L HA 0.017 4.367 4.340 0.018 0.000 0.209 179 L C 2.869 179.546 176.870 -0.322 0.000 1.083 179 L CA 0.427 55.144 54.840 -0.206 0.000 0.752 179 L CB -0.331 41.561 42.059 -0.279 0.000 0.899 179 L HN 0.185 nan 8.230 nan 0.000 0.433 180 L N -0.593 120.394 121.223 -0.394 0.000 2.131 180 L HA -0.184 4.166 4.340 0.018 0.000 0.210 180 L C 2.827 179.687 176.870 -0.017 0.000 1.092 180 L CA 1.015 55.624 54.840 -0.384 0.000 0.759 180 L CB -0.731 41.135 42.059 -0.322 0.000 0.903 180 L HN 0.240 nan 8.230 nan 0.000 0.435 181 A N -1.452 121.337 122.820 -0.051 0.000 1.898 181 A HA -0.132 4.199 4.320 0.018 0.000 0.216 181 A C 0.886 178.538 177.584 0.115 0.000 1.181 181 A CA 1.283 53.322 52.037 0.004 0.000 0.620 181 A CB -0.027 18.927 19.000 -0.076 0.000 0.819 181 A HN 0.422 nan 8.150 nan 0.000 0.442 182 D N -2.937 117.500 120.400 0.062 0.000 2.871 182 D HA 0.413 5.063 4.640 0.018 0.000 0.209 182 D C -0.543 175.798 176.300 0.068 0.000 1.292 182 D CA 0.304 54.359 54.000 0.092 0.000 0.869 182 D CB 1.505 42.347 40.800 0.071 0.000 1.663 182 D HN 0.075 nan 8.370 nan 0.000 0.557 183 A N 1.847 124.741 122.820 0.124 0.000 2.387 183 A HA 0.518 4.848 4.320 0.018 0.000 0.234 183 A C 1.328 178.988 177.584 0.126 0.000 1.253 183 A CA 0.644 52.760 52.037 0.131 0.000 0.894 183 A CB -0.039 19.124 19.000 0.272 0.000 0.963 183 A HN 1.066 nan 8.150 nan 0.000 0.508 184 G N -1.069 107.792 108.800 0.102 0.000 2.305 184 G HA2 0.099 4.069 3.960 0.018 0.000 0.287 184 G HA3 0.099 4.069 3.960 0.018 0.000 0.287 184 G C 1.499 176.451 174.900 0.087 0.000 1.036 184 G CA 0.942 46.090 45.100 0.081 0.000 0.887 184 G HN 2.080 nan 8.290 nan 0.000 0.505 185 G N -1.755 107.106 108.800 0.101 0.000 2.205 185 G HA2 -0.273 3.697 3.960 0.018 0.000 0.261 185 G HA3 -0.273 3.697 3.960 0.018 0.000 0.261 185 G C 0.302 175.264 174.900 0.104 0.000 0.980 185 G CA 0.902 46.054 45.100 0.087 0.000 0.632 185 G HN 0.960 nan 8.290 nan 0.000 0.533 186 E N 0.811 121.091 120.200 0.135 0.000 2.373 186 E HA 0.447 4.807 4.350 0.018 0.000 0.263 186 E C 0.599 177.323 176.600 0.207 0.000 1.073 186 E CA 0.533 57.029 56.400 0.160 0.000 0.894 186 E CB 1.142 30.943 29.700 0.170 0.000 1.008 186 E HN 0.558 nan 8.360 nan 0.000 0.420 187 D N -0.289 120.219 120.400 0.179 0.000 2.480 187 D HA -0.030 4.621 4.640 0.018 0.000 0.276 187 D C -0.283 176.115 176.300 0.162 0.000 1.294 187 D CA -0.066 53.993 54.000 0.099 0.000 0.829 187 D CB 0.134 40.909 40.800 -0.041 0.000 1.242 187 D HN 0.204 nan 8.370 nan 0.000 0.513 188 Q N 0.909 120.870 119.800 0.267 0.000 2.490 188 Q HA 0.555 4.906 4.340 0.018 0.000 0.255 188 Q C -1.218 175.132 176.000 0.583 0.000 0.997 188 Q CA -0.316 55.744 55.803 0.428 0.000 0.709 188 Q CB 2.214 31.199 28.738 0.412 0.000 1.255 188 Q HN 0.117 nan 8.270 nan 0.000 0.486 189 L N 1.023 122.648 121.223 0.671 0.000 2.370 189 L HA 0.908 5.259 4.340 0.018 0.000 0.266 189 L C -0.753 176.468 176.870 0.584 0.000 1.002 189 L CA -0.844 54.343 54.840 0.579 0.000 0.818 189 L CB 2.139 44.409 42.059 0.353 0.000 1.325 189 L HN 0.497 nan 8.230 nan 0.000 0.418 190 A N 3.277 126.331 122.820 0.391 0.000 2.319 190 A HA 0.755 5.086 4.320 0.018 0.000 0.310 190 A C -0.782 176.836 177.584 0.057 0.000 1.152 190 A CA -0.392 51.700 52.037 0.091 0.000 0.783 190 A CB 0.653 19.479 19.000 -0.290 0.000 1.184 190 A HN 0.625 nan 8.150 nan 0.000 0.474 191 I N 3.482 124.069 120.570 0.029 0.000 2.352 191 I HA 0.372 4.553 4.170 0.018 0.000 0.290 191 I C 0.264 176.362 176.117 -0.031 0.000 1.036 191 I CA -0.263 61.042 61.300 0.008 0.000 1.336 191 I CB 0.613 38.619 38.000 0.009 0.000 1.407 191 I HN 0.616 nan 8.210 nan 0.000 0.497 192 R N 3.521 124.004 120.500 -0.028 0.000 2.869 192 R HA 0.403 4.753 4.340 0.018 0.000 0.263 192 R C 0.937 177.221 176.300 -0.027 0.000 1.066 192 R CA -0.641 55.431 56.100 -0.046 0.000 0.960 192 R CB 0.763 31.023 30.300 -0.067 0.000 1.221 192 R HN 0.665 nan 8.270 nan 0.000 0.474 193 G N 0.181 108.963 108.800 -0.030 0.000 2.440 193 G HA2 -0.266 3.705 3.960 0.018 0.000 0.218 193 G HA3 -0.266 3.705 3.960 0.018 0.000 0.218 193 G C 0.993 175.886 174.900 -0.011 0.000 1.154 193 G CA 1.380 46.469 45.100 -0.019 0.000 0.767 193 G HN 0.555 nan 8.290 nan 0.000 0.552 194 S N -0.682 115.011 115.700 -0.012 0.000 2.593 194 S HA 0.505 4.986 4.470 0.018 0.000 0.217 194 S C 0.950 175.553 174.600 0.005 0.000 0.966 194 S CA 0.604 58.803 58.200 -0.003 0.000 0.914 194 S CB 0.230 63.428 63.200 -0.002 0.000 0.776 194 S HN 1.321 nan 8.310 nan 0.000 0.523 195 G N -0.073 108.731 108.800 0.006 0.000 2.356 195 G HA2 0.308 4.278 3.960 0.018 0.000 0.288 195 G HA3 0.308 4.278 3.960 0.018 0.000 0.288 195 G C -1.685 173.231 174.900 0.027 0.000 1.302 195 G CA -0.497 44.613 45.100 0.018 0.000 0.887 195 G HN 0.398 nan 8.290 nan 0.000 0.521 196 V N 0.908 120.848 119.914 0.044 0.000 2.407 196 V HA 0.642 4.773 4.120 0.018 0.000 0.278 196 V C 0.380 176.539 176.094 0.108 0.000 1.037 196 V CA -0.399 61.943 62.300 0.070 0.000 0.900 196 V CB 0.916 32.779 31.823 0.067 0.000 0.983 196 V HN 0.620 nan 8.190 nan 0.000 0.459 197 L N 4.134 125.451 121.223 0.157 0.000 2.334 197 L HA 0.945 5.295 4.340 0.018 0.000 0.273 197 L C 0.130 177.243 176.870 0.405 0.000 1.013 197 L CA -0.535 54.458 54.840 0.255 0.000 0.816 197 L CB 1.878 44.102 42.059 0.274 0.000 1.278 197 L HN 0.717 nan 8.230 nan 0.000 0.431 198 A N 2.034 125.077 122.820 0.371 0.000 2.423 198 A HA 0.721 5.052 4.320 0.018 0.000 0.304 198 A C -0.913 176.656 177.584 -0.026 0.000 1.104 198 A CA -0.720 51.489 52.037 0.287 0.000 0.757 198 A CB 1.738 20.841 19.000 0.172 0.000 1.313 198 A HN 0.760 nan 8.150 nan 0.000 0.423 199 R N 0.687 120.961 120.500 -0.377 0.000 2.357 199 R HA 0.544 4.895 4.340 0.018 0.000 0.296 199 R C -0.858 175.178 176.300 -0.439 0.000 1.052 199 R CA -0.314 55.205 56.100 -0.969 0.000 0.988 199 R CB 0.500 30.223 30.300 -0.961 0.000 1.025 199 R HN 0.687 nan 8.270 nan 0.000 0.469 200 R N 3.515 123.736 120.500 -0.465 0.000 2.651 200 R HA 0.345 4.696 4.340 0.018 0.000 0.278 200 R C -1.484 174.674 176.300 -0.237 0.000 1.010 200 R CA -1.108 54.842 56.100 -0.251 0.000 0.896 200 R CB 1.546 31.733 30.300 -0.188 0.000 1.211 200 R HN 0.451 nan 8.270 nan 0.000 0.456 201 L N 1.459 122.590 121.223 -0.154 0.000 2.307 201 L HA 0.804 5.155 4.340 0.018 0.000 0.284 201 L C -0.805 175.998 176.870 -0.111 0.000 1.023 201 L CA -0.160 54.613 54.840 -0.111 0.000 0.810 201 L CB 1.614 43.634 42.059 -0.066 0.000 1.231 201 L HN 0.828 nan 8.230 nan 0.000 0.423 202 A N 3.086 125.882 122.820 -0.040 0.000 2.515 202 A HA 0.567 4.897 4.320 0.018 0.000 0.296 202 A C -1.054 176.608 177.584 0.130 0.000 1.094 202 A CA -0.702 51.335 52.037 0.001 0.000 0.718 202 A CB 0.799 19.805 19.000 0.010 0.000 1.307 202 A HN 0.752 nan 8.150 nan 0.000 0.408 203 H N 0.695 119.804 119.070 0.065 0.000 2.897 203 H HA 0.328 4.893 4.556 0.015 0.000 0.347 203 H C 0.942 176.259 175.328 -0.018 0.000 1.068 203 H CA 1.127 57.086 56.048 -0.148 0.000 1.426 203 H CB 0.977 30.625 29.762 -0.191 0.000 1.410 203 H HN 0.842 nan 8.280 nan 0.000 0.597 204 A N 2.405 125.226 122.820 0.002 0.000 2.313 204 A HA 0.515 4.845 4.320 0.018 0.000 0.261 204 A C 0.364 177.878 177.584 -0.117 0.000 1.090 204 A CA -0.103 51.855 52.037 -0.132 0.000 0.807 204 A CB 0.191 19.091 19.000 -0.167 0.000 1.055 204 A HN 0.836 nan 8.150 nan 0.000 0.492 205 A N 1.473 124.190 122.820 -0.171 0.000 2.462 205 A HA 0.540 4.871 4.320 0.018 0.000 0.243 205 A C -2.212 175.321 177.584 -0.085 0.000 1.076 205 A CA -0.928 51.049 52.037 -0.099 0.000 0.773 205 A CB -0.809 18.133 19.000 -0.096 0.000 1.010 205 A HN 0.625 nan 8.150 nan 0.000 0.493 206 P HA 0.326 nan 4.420 nan 0.000 0.269 206 P C -0.160 177.113 177.300 -0.045 0.000 1.215 206 P CA 0.137 63.202 63.100 -0.058 0.000 0.780 206 P CB 0.633 32.301 31.700 -0.054 0.000 0.898 207 A N 1.972 124.771 122.820 -0.034 0.000 2.407 207 A HA 0.395 4.726 4.320 0.018 0.000 0.248 207 A C 0.044 177.619 177.584 -0.016 0.000 1.082 207 A CA -0.305 51.720 52.037 -0.021 0.000 0.785 207 A CB -0.137 18.857 19.000 -0.010 0.000 1.020 207 A HN 0.452 nan 8.150 nan 0.000 0.489 208 V N 0.743 120.651 119.914 -0.010 0.000 2.294 208 V HA 0.457 4.588 4.120 0.018 0.000 0.272 208 V C -2.705 173.389 176.094 -0.001 0.000 1.027 208 V CA -2.306 59.990 62.300 -0.008 0.000 0.823 208 V CB 0.271 32.089 31.823 -0.009 0.000 1.030 208 V HN 0.667 nan 8.190 nan 0.000 0.457 209 P HA 0.243 nan 4.420 nan 0.000 0.263 209 P C 1.193 178.495 177.300 0.004 0.000 1.175 209 P CA 1.840 64.942 63.100 0.003 0.000 0.761 209 P CB 0.657 32.357 31.700 0.000 0.000 0.794 210 G N 2.178 110.983 108.800 0.008 0.000 2.162 210 G HA2 -0.273 3.697 3.960 0.018 0.000 0.260 210 G HA3 -0.273 3.697 3.960 0.018 0.000 0.260 210 G C 0.666 175.571 174.900 0.008 0.000 0.976 210 G CA 0.459 45.564 45.100 0.008 0.000 0.655 210 G HN 0.727 nan 8.290 nan 0.000 0.533 211 S N -0.568 115.137 115.700 0.009 0.000 2.650 211 S HA 0.583 5.063 4.470 0.018 0.000 0.240 211 S C 1.221 175.828 174.600 0.013 0.000 1.007 211 S CA 0.821 59.026 58.200 0.008 0.000 0.984 211 S CB 0.638 63.840 63.200 0.004 0.000 0.910 211 S HN 1.590 nan 8.310 nan 0.000 0.509 212 G N 1.362 110.173 108.800 0.018 0.000 2.491 212 G HA2 0.344 4.315 3.960 0.018 0.000 0.238 212 G HA3 0.344 4.315 3.960 0.018 0.000 0.238 212 G C 0.530 175.446 174.900 0.026 0.000 1.277 212 G CA -0.473 44.642 45.100 0.026 0.000 0.851 212 G HN 0.255 nan 8.290 nan 0.000 0.573 213 K N 0.787 121.206 120.400 0.031 0.000 2.367 213 K HA 0.059 4.390 4.320 0.018 0.000 0.195 213 K C 1.243 177.867 176.600 0.041 0.000 1.060 213 K CA -0.346 55.959 56.287 0.030 0.000 1.022 213 K CB 0.463 32.979 32.500 0.025 0.000 0.894 213 K HN 0.546 nan 8.250 nan 0.000 0.540 214 R N 3.344 123.875 120.500 0.053 0.000 2.484 214 R HA 0.034 4.384 4.340 0.018 0.000 0.293 214 R C -2.179 174.164 176.300 0.073 0.000 1.023 214 R CA -0.865 55.279 56.100 0.072 0.000 1.037 214 R CB 0.253 30.606 30.300 0.088 0.000 0.951 214 R HN -0.120 nan 8.270 nan 0.000 0.418 215 P HA 0.179 nan 4.420 nan 0.000 0.274 215 P C -2.565 174.799 177.300 0.107 0.000 1.237 215 P CA -1.415 61.735 63.100 0.084 0.000 0.793 215 P CB 0.184 31.947 31.700 0.106 0.000 0.977 216 P HA 0.009 nan 4.420 nan 0.000 0.268 216 P C -0.187 177.229 177.300 0.193 0.000 1.204 216 P CA 0.086 63.237 63.100 0.085 0.000 0.768 216 P CB 0.305 32.015 31.700 0.017 0.000 0.842 217 V N 5.988 126.017 119.914 0.191 0.000 2.557 217 V HA 0.069 4.199 4.120 0.018 0.000 0.301 217 V C 0.929 177.194 176.094 0.284 0.000 1.026 217 V CA 0.970 63.406 62.300 0.227 0.000 1.137 217 V CB -0.971 30.942 31.823 0.149 0.000 0.917 217 V HN 0.900 nan 8.190 nan 0.000 0.484 218 H N 2.646 121.762 119.070 0.077 0.000 2.863 218 H HA 0.563 5.128 4.556 0.016 0.000 0.274 218 H C 0.161 175.536 175.328 0.079 0.000 1.457 218 H CA -0.331 55.759 56.048 0.070 0.000 1.151 218 H CB 0.992 30.789 29.762 0.059 0.000 1.844 218 H HN 1.124 nan 8.280 nan 0.000 0.562 219 G N 0.300 109.114 108.800 0.024 0.000 2.575 219 G HA2 -0.235 3.736 3.960 0.018 0.000 0.267 219 G HA3 -0.235 3.736 3.960 0.018 0.000 0.267 219 G C -0.649 174.264 174.900 0.021 0.000 1.264 219 G CA 0.225 45.295 45.100 -0.049 0.000 0.935 219 G HN 0.853 nan 8.290 nan 0.000 0.568 220 S N -0.877 114.839 115.700 0.027 0.000 2.508 220 S HA 0.608 5.088 4.470 0.018 0.000 0.284 220 S C 0.021 174.610 174.600 -0.019 0.000 1.192 220 S CA -0.334 57.897 58.200 0.050 0.000 1.070 220 S CB 1.763 65.037 63.200 0.124 0.000 1.004 220 S HN 1.058 nan 8.310 nan 0.000 0.493 221 V N 3.984 123.870 119.914 -0.046 0.000 2.531 221 V HA 0.403 4.534 4.120 0.018 0.000 0.301 221 V C -0.698 175.384 176.094 -0.019 0.000 1.034 221 V CA -0.801 61.510 62.300 0.017 0.000 0.865 221 V CB 1.629 33.489 31.823 0.063 0.000 0.995 221 V HN 0.712 nan 8.190 nan 0.000 0.424 222 L N 6.879 128.120 121.223 0.030 0.000 2.265 222 L HA 0.633 4.984 4.340 0.018 0.000 0.288 222 L C -0.431 176.473 176.870 0.056 0.000 1.058 222 L CA 0.264 55.109 54.840 0.009 0.000 0.809 222 L CB 1.421 43.487 42.059 0.013 0.000 1.179 222 L HN 0.454 nan 8.230 nan 0.000 0.429 223 V N 4.344 124.262 119.914 0.007 0.000 2.326 223 V HA 0.362 4.493 4.120 0.018 0.000 0.281 223 V C 0.376 176.458 176.094 -0.020 0.000 1.015 223 V CA -0.431 61.868 62.300 -0.003 0.000 0.823 223 V CB 1.164 32.951 31.823 -0.060 0.000 1.009 223 V HN 0.891 nan 8.190 nan 0.000 0.436 224 T N 1.028 115.578 114.554 -0.006 0.000 2.907 224 T HA 0.486 4.847 4.350 0.018 0.000 0.298 224 T C 1.178 175.843 174.700 -0.058 0.000 1.017 224 T CA 0.461 62.568 62.100 0.011 0.000 1.118 224 T CB 1.281 70.233 68.868 0.140 0.000 0.948 224 T HN 1.839 nan 8.240 nan 0.000 0.531 225 G N 1.624 110.401 108.800 -0.039 0.000 2.283 225 G HA2 -0.163 3.808 3.960 0.018 0.000 0.280 225 G HA3 -0.163 3.808 3.960 0.018 0.000 0.280 225 G C 0.828 175.698 174.900 -0.051 0.000 1.029 225 G CA 0.155 45.225 45.100 -0.049 0.000 0.840 225 G HN 1.470 nan 8.290 nan 0.000 0.505 226 G N -0.765 108.008 108.800 -0.045 0.000 2.985 226 G HA2 0.262 4.233 3.960 0.018 0.000 0.209 226 G HA3 0.262 4.233 3.960 0.018 0.000 0.209 226 G C 1.507 176.380 174.900 -0.045 0.000 1.165 226 G CA 1.582 46.652 45.100 -0.051 0.000 0.776 226 G HN 1.173 nan 8.290 nan 0.000 0.541 227 T N -2.681 111.851 114.554 -0.037 0.000 3.088 227 T HA 0.465 4.826 4.350 0.018 0.000 0.259 227 T C 1.052 175.729 174.700 -0.037 0.000 1.122 227 T CA 0.654 62.735 62.100 -0.032 0.000 1.095 227 T CB 0.637 69.491 68.868 -0.022 0.000 0.930 227 T HN 0.478 nan 8.240 nan 0.000 0.508 228 G N -1.308 107.464 108.800 -0.048 0.000 2.489 228 G HA2 0.553 4.523 3.960 0.018 0.000 0.305 228 G HA3 0.553 4.523 3.960 0.018 0.000 0.305 228 G C 0.133 174.983 174.900 -0.084 0.000 1.311 228 G CA -0.162 44.903 45.100 -0.058 0.000 0.813 228 G HN 0.841 nan 8.290 nan 0.000 0.480 229 G N -0.780 107.958 108.800 -0.103 0.000 2.574 229 G HA2 -0.227 3.743 3.960 0.018 0.000 0.282 229 G HA3 -0.227 3.743 3.960 0.018 0.000 0.282 229 G C 1.246 175.998 174.900 -0.247 0.000 1.257 229 G CA 0.685 45.685 45.100 -0.166 0.000 0.956 229 G HN 1.259 nan 8.290 nan 0.000 0.560 230 I N 1.585 121.917 120.570 -0.395 0.000 2.315 230 I HA -0.018 4.163 4.170 0.018 0.000 0.248 230 I C 3.035 179.030 176.117 -0.204 0.000 1.117 230 I CA 1.682 62.611 61.300 -0.618 0.000 1.404 230 I CB -0.677 36.700 38.000 -1.038 0.000 1.071 230 I HN 0.639 nan 8.210 nan 0.000 0.419 231 G N 0.612 109.375 108.800 -0.063 0.000 2.422 231 G HA2 -0.182 3.788 3.960 0.018 0.000 0.218 231 G HA3 -0.182 3.788 3.960 0.018 0.000 0.218 231 G C 1.744 176.616 174.900 -0.047 0.000 1.146 231 G CA 0.781 45.880 45.100 -0.001 0.000 0.769 231 G HN 0.483 nan 8.290 nan 0.000 0.547 232 G N 0.617 109.376 108.800 -0.068 0.000 2.469 232 G HA2 -0.215 3.755 3.960 0.018 0.000 0.219 232 G HA3 -0.215 3.755 3.960 0.018 0.000 0.219 232 G C 1.948 176.820 174.900 -0.048 0.000 1.150 232 G CA 0.747 45.812 45.100 -0.058 0.000 0.763 232 G HN 0.352 nan 8.290 nan 0.000 0.561 233 R N -0.084 120.384 120.500 -0.054 0.000 2.075 233 R HA -0.010 4.340 4.340 0.018 0.000 0.232 233 R C 2.714 179.019 176.300 0.008 0.000 1.126 233 R CA 1.077 57.170 56.100 -0.012 0.000 0.963 233 R CB -0.986 29.314 30.300 -0.000 0.000 0.858 233 R HN 0.343 nan 8.270 nan 0.000 0.435 234 V N 1.491 121.412 119.914 0.011 0.000 2.287 234 V HA -0.270 3.861 4.120 0.018 0.000 0.248 234 V C 2.600 178.625 176.094 -0.115 0.000 1.053 234 V CA 2.005 64.300 62.300 -0.008 0.000 1.027 234 V CB -0.850 31.012 31.823 0.064 0.000 0.646 234 V HN 0.369 nan 8.190 nan 0.000 0.447 235 A N -0.073 122.682 122.820 -0.110 0.000 1.908 235 A HA -0.282 4.048 4.320 0.018 0.000 0.218 235 A C 2.405 179.947 177.584 -0.070 0.000 1.181 235 A CA 2.165 54.134 52.037 -0.113 0.000 0.627 235 A CB -0.598 18.352 19.000 -0.083 0.000 0.818 235 A HN 0.520 nan 8.150 nan 0.000 0.445 236 R N -0.526 119.950 120.500 -0.040 0.000 2.096 236 R HA -0.107 4.244 4.340 0.018 0.000 0.235 236 R C 2.355 178.648 176.300 -0.012 0.000 1.127 236 R CA 1.510 57.599 56.100 -0.018 0.000 0.968 236 R CB -0.229 30.067 30.300 -0.005 0.000 0.861 236 R HN 0.526 nan 8.270 nan 0.000 0.440 237 R N 0.123 120.617 120.500 -0.011 0.000 2.075 237 R HA -0.066 4.285 4.340 0.018 0.000 0.232 237 R C 2.396 178.689 176.300 -0.011 0.000 1.126 237 R CA 1.400 57.503 56.100 0.005 0.000 0.963 237 R CB -0.324 29.992 30.300 0.027 0.000 0.858 237 R HN 0.248 nan 8.270 nan 0.000 0.435 238 L N 0.202 121.389 121.223 -0.060 0.000 2.083 238 L HA -0.179 4.172 4.340 0.018 0.000 0.209 238 L C 2.676 179.538 176.870 -0.014 0.000 1.083 238 L CA 1.269 56.074 54.840 -0.058 0.000 0.752 238 L CB -0.572 41.402 42.059 -0.143 0.000 0.899 238 L HN 0.245 nan 8.230 nan 0.000 0.433 239 A N 0.610 123.421 122.820 -0.016 0.000 1.902 239 A HA -0.239 4.091 4.320 0.018 0.000 0.217 239 A C 2.264 179.857 177.584 0.016 0.000 1.181 239 A CA 1.873 53.913 52.037 0.005 0.000 0.623 239 A CB -0.569 18.431 19.000 0.001 0.000 0.818 239 A HN 0.627 nan 8.150 nan 0.000 0.443 240 E N -0.127 120.081 120.200 0.014 0.000 2.204 240 E HA -0.226 4.134 4.350 0.018 0.000 0.194 240 E C 1.448 178.066 176.600 0.030 0.000 0.989 240 E CA 1.236 57.649 56.400 0.022 0.000 0.824 240 E CB -0.398 29.315 29.700 0.021 0.000 0.756 240 E HN 0.764 nan 8.360 nan 0.000 0.477 241 Q N 0.304 120.124 119.800 0.034 0.000 2.415 241 Q HA 0.129 4.480 4.340 0.018 0.000 0.206 241 Q C 0.535 176.568 176.000 0.055 0.000 0.946 241 Q CA 0.437 56.268 55.803 0.046 0.000 0.951 241 Q CB 0.522 29.293 28.738 0.056 0.000 1.026 241 Q HN 0.556 nan 8.270 nan 0.000 0.510 242 G N 0.358 109.188 108.800 0.050 0.000 2.140 242 G HA2 -0.232 3.739 3.960 0.018 0.000 0.211 242 G HA3 -0.232 3.739 3.960 0.018 0.000 0.211 242 G C 0.146 175.091 174.900 0.075 0.000 1.013 242 G CA -0.235 44.899 45.100 0.058 0.000 0.705 242 G HN 0.514 nan 8.290 nan 0.000 0.508 243 A N -0.172 122.688 122.820 0.068 0.000 2.561 243 A HA 0.690 5.020 4.320 0.018 0.000 0.234 243 A C 1.765 179.400 177.584 0.086 0.000 1.055 243 A CA 1.147 53.230 52.037 0.076 0.000 0.756 243 A CB 0.335 19.359 19.000 0.040 0.000 0.986 243 A HN 1.865 nan 8.150 nan 0.000 0.505 244 A N 1.249 124.134 122.820 0.109 0.000 1.897 244 A HA 0.176 4.506 4.320 0.018 0.000 0.215 244 A C 0.991 178.671 177.584 0.160 0.000 1.181 244 A CA 1.979 54.086 52.037 0.116 0.000 0.620 244 A CB -0.271 18.798 19.000 0.115 0.000 0.821 244 A HN 1.240 nan 8.150 nan 0.000 0.443 245 H N -1.660 117.423 119.070 0.022 0.000 3.017 245 H HA 0.618 5.184 4.556 0.018 0.000 0.340 245 H C -1.703 173.632 175.328 0.012 0.000 1.014 245 H CA -1.012 55.045 56.048 0.015 0.000 1.341 245 H CB 0.481 30.251 29.762 0.014 0.000 1.739 245 H HN 0.104 nan 8.280 nan 0.000 0.506 246 L N 5.484 126.606 121.223 -0.169 0.000 2.296 246 L HA 0.514 4.864 4.340 0.018 0.000 0.286 246 L C -0.500 176.143 176.870 -0.379 0.000 1.023 246 L CA -1.149 53.553 54.840 -0.229 0.000 0.812 246 L CB 1.771 43.773 42.059 -0.095 0.000 1.223 246 L HN 0.407 nan 8.230 nan 0.000 0.421 247 V N 5.466 125.172 119.914 -0.347 0.000 2.311 247 V HA 0.357 4.488 4.120 0.018 0.000 0.275 247 V C 0.039 176.070 176.094 -0.106 0.000 1.022 247 V CA -0.403 61.755 62.300 -0.236 0.000 0.830 247 V CB 1.250 32.948 31.823 -0.207 0.000 1.012 247 V HN 0.500 nan 8.190 nan 0.000 0.452 248 L N 5.592 126.772 121.223 -0.071 0.000 2.272 248 L HA 0.676 5.027 4.340 0.018 0.000 0.289 248 L C 0.509 177.365 176.870 -0.023 0.000 1.032 248 L CA -0.218 54.596 54.840 -0.044 0.000 0.810 248 L CB 1.668 43.703 42.059 -0.040 0.000 1.205 248 L HN 0.733 nan 8.230 nan 0.000 0.422 249 T N -0.321 114.225 114.554 -0.013 0.000 2.932 249 T HA 0.868 5.229 4.350 0.018 0.000 0.289 249 T C -0.149 174.552 174.700 0.002 0.000 1.039 249 T CA -0.573 61.528 62.100 0.002 0.000 1.024 249 T CB 2.210 71.088 68.868 0.016 0.000 1.090 249 T HN 0.722 nan 8.240 nan 0.000 0.496 250 S N 0.536 116.241 115.700 0.008 0.000 2.655 250 S HA 0.427 4.908 4.470 0.018 0.000 0.266 250 S C 0.659 175.269 174.600 0.016 0.000 1.149 250 S CA -1.084 57.121 58.200 0.009 0.000 0.818 250 S CB 1.485 64.684 63.200 -0.002 0.000 1.130 250 S HN 0.861 nan 8.310 nan 0.000 0.476 251 R N 0.251 120.762 120.500 0.019 0.000 2.092 251 R HA 0.111 4.462 4.340 0.018 0.000 0.231 251 R C 1.991 178.300 176.300 0.015 0.000 1.119 251 R CA 1.223 57.336 56.100 0.022 0.000 0.970 251 R CB -0.200 30.116 30.300 0.027 0.000 0.864 251 R HN 0.688 nan 8.270 nan 0.000 0.440 252 R N -0.657 119.849 120.500 0.009 0.000 2.246 252 R HA 0.100 4.451 4.340 0.018 0.000 0.199 252 R C 1.343 177.645 176.300 0.004 0.000 0.984 252 R CA 0.401 56.504 56.100 0.005 0.000 1.015 252 R CB 0.206 30.506 30.300 -0.000 0.000 0.930 252 R HN 0.409 nan 8.270 nan 0.000 0.475 253 G N 1.102 109.905 108.800 0.005 0.000 2.685 253 G HA2 -0.477 3.493 3.960 0.018 0.000 0.329 253 G HA3 -0.477 3.493 3.960 0.018 0.000 0.329 253 G C 0.976 175.876 174.900 0.000 0.000 1.271 253 G CA 0.711 45.813 45.100 0.004 0.000 1.003 253 G HN 0.415 nan 8.290 nan 0.000 0.549 254 A N -0.805 122.016 122.820 0.003 0.000 2.125 254 A HA 0.147 4.478 4.320 0.018 0.000 0.219 254 A C 1.804 179.387 177.584 -0.001 0.000 1.156 254 A CA 2.365 54.403 52.037 0.002 0.000 0.671 254 A CB -0.272 18.730 19.000 0.005 0.000 0.794 254 A HN 0.544 nan 8.150 nan 0.000 0.459 255 D N -0.182 120.217 120.400 -0.001 0.000 2.339 255 D HA 0.318 4.968 4.640 0.018 0.000 0.217 255 D C 0.879 177.175 176.300 -0.007 0.000 1.050 255 D CA 0.652 54.650 54.000 -0.004 0.000 0.856 255 D CB -0.080 40.718 40.800 -0.002 0.000 0.922 255 D HN 0.436 nan 8.370 nan 0.000 0.518 256 A N 1.842 124.657 122.820 -0.008 0.000 2.466 256 A HA 0.318 4.648 4.320 0.018 0.000 0.238 256 A C -2.198 175.377 177.584 -0.016 0.000 1.074 256 A CA -0.737 51.293 52.037 -0.012 0.000 0.774 256 A CB -0.180 18.812 19.000 -0.013 0.000 1.015 256 A HN -0.086 nan 8.150 nan 0.000 0.498 257 P HA 0.364 nan 4.420 nan 0.000 0.276 257 P C 0.837 178.123 177.300 -0.023 0.000 1.253 257 P CA 1.310 64.397 63.100 -0.022 0.000 0.766 257 P CB 0.854 32.538 31.700 -0.027 0.000 0.845 258 G N 3.024 111.812 108.800 -0.020 0.000 2.199 258 G HA2 -0.341 3.630 3.960 0.018 0.000 0.254 258 G HA3 -0.341 3.630 3.960 0.018 0.000 0.254 258 G C 1.195 176.085 174.900 -0.017 0.000 0.982 258 G CA 0.440 45.529 45.100 -0.019 0.000 0.632 258 G HN 0.639 nan 8.290 nan 0.000 0.529 259 A N 0.656 123.466 122.820 -0.016 0.000 1.892 259 A HA 0.266 4.597 4.320 0.018 0.000 0.218 259 A C 2.883 180.461 177.584 -0.009 0.000 1.188 259 A CA 3.249 55.279 52.037 -0.013 0.000 0.631 259 A CB -1.024 17.970 19.000 -0.010 0.000 0.822 259 A HN 1.868 nan 8.150 nan 0.000 0.447 260 A N -0.700 122.116 122.820 -0.007 0.000 1.902 260 A HA -0.139 4.191 4.320 0.018 0.000 0.217 260 A C 1.945 179.527 177.584 -0.004 0.000 1.181 260 A CA 1.750 53.784 52.037 -0.004 0.000 0.623 260 A CB -0.395 18.603 19.000 -0.003 0.000 0.818 260 A HN 0.476 nan 8.150 nan 0.000 0.443 261 E N -0.131 120.065 120.200 -0.007 0.000 2.107 261 E HA -0.084 4.277 4.350 0.018 0.000 0.191 261 E C 2.062 178.658 176.600 -0.007 0.000 0.982 261 E CA 0.456 56.853 56.400 -0.006 0.000 0.809 261 E CB -0.534 29.161 29.700 -0.008 0.000 0.756 261 E HN 0.616 nan 8.360 nan 0.000 0.459 262 L N 0.903 122.120 121.223 -0.010 0.000 2.012 262 L HA -0.227 4.124 4.340 0.018 0.000 0.210 262 L C 2.785 179.651 176.870 -0.006 0.000 1.073 262 L CA 1.696 56.529 54.840 -0.011 0.000 0.748 262 L CB -0.207 41.842 42.059 -0.017 0.000 0.891 262 L HN 0.093 nan 8.230 nan 0.000 0.431 263 R N -0.126 120.371 120.500 -0.004 0.000 2.091 263 R HA -0.177 4.174 4.340 0.018 0.000 0.238 263 R C 2.170 178.473 176.300 0.005 0.000 1.136 263 R CA 1.605 57.707 56.100 0.002 0.000 0.959 263 R CB -0.301 30.002 30.300 0.006 0.000 0.856 263 R HN 0.435 nan 8.270 nan 0.000 0.437 264 A N 0.634 123.456 122.820 0.003 0.000 1.898 264 A HA -0.193 4.138 4.320 0.018 0.000 0.216 264 A C 2.025 179.611 177.584 0.004 0.000 1.181 264 A CA 1.611 53.651 52.037 0.004 0.000 0.620 264 A CB -0.580 18.421 19.000 0.002 0.000 0.819 264 A HN 0.586 nan 8.150 nan 0.000 0.442 265 E N -0.164 120.037 120.200 0.001 0.000 2.058 265 E HA -0.201 4.160 4.350 0.018 0.000 0.194 265 E C 1.687 178.290 176.600 0.004 0.000 0.997 265 E CA 1.411 57.812 56.400 0.002 0.000 0.801 265 E CB -0.376 29.324 29.700 -0.001 0.000 0.746 265 E HN 0.321 nan 8.360 nan 0.000 0.450 266 L N 1.211 122.436 121.223 0.003 0.000 2.013 266 L HA -0.193 4.158 4.340 0.018 0.000 0.212 266 L C 2.335 179.214 176.870 0.014 0.000 1.073 266 L CA 2.129 56.973 54.840 0.007 0.000 0.753 266 L CB -0.917 41.144 42.059 0.004 0.000 0.890 266 L HN 0.271 nan 8.230 nan 0.000 0.432 267 E N -1.439 118.770 120.200 0.015 0.000 2.208 267 E HA -0.211 4.149 4.350 0.018 0.000 0.193 267 E C 2.122 178.731 176.600 0.015 0.000 0.988 267 E CA 0.357 56.768 56.400 0.019 0.000 0.828 267 E CB 0.022 29.733 29.700 0.018 0.000 0.763 267 E HN 0.379 nan 8.360 nan 0.000 0.478 268 Q N 0.294 120.101 119.800 0.012 0.000 2.291 268 Q HA -0.075 4.275 4.340 0.018 0.000 0.206 268 Q C 1.804 177.812 176.000 0.012 0.000 0.976 268 Q CA 0.913 56.722 55.803 0.010 0.000 0.875 268 Q CB -0.059 28.683 28.738 0.008 0.000 0.927 268 Q HN 0.326 nan 8.270 nan 0.000 0.450 269 L N -2.056 119.175 121.223 0.014 0.000 2.554 269 L HA 0.109 4.460 4.340 0.018 0.000 0.226 269 L C 1.284 178.166 176.870 0.020 0.000 1.137 269 L CA 0.672 55.522 54.840 0.016 0.000 0.863 269 L CB 0.001 42.069 42.059 0.016 0.000 0.985 269 L HN 0.422 nan 8.230 nan 0.000 0.451 270 G N -0.812 108.001 108.800 0.021 0.000 2.253 270 G HA2 -0.223 3.747 3.960 0.018 0.000 0.209 270 G HA3 -0.223 3.747 3.960 0.018 0.000 0.209 270 G C 0.245 175.164 174.900 0.032 0.000 0.997 270 G CA -0.141 44.974 45.100 0.025 0.000 0.640 270 G HN 0.020 nan 8.290 nan 0.000 0.496 271 V N 2.494 122.429 119.914 0.036 0.000 2.614 271 V HA 0.388 4.519 4.120 0.018 0.000 0.291 271 V C 1.283 177.417 176.094 0.066 0.000 1.049 271 V CA -0.477 61.855 62.300 0.053 0.000 1.038 271 V CB 1.441 33.292 31.823 0.046 0.000 0.980 271 V HN 0.430 nan 8.190 nan 0.000 0.481 272 R N 3.431 123.989 120.500 0.097 0.000 2.370 272 R HA 0.336 4.686 4.340 0.018 0.000 0.309 272 R C -1.120 175.317 176.300 0.229 0.000 1.059 272 R CA -0.132 56.045 56.100 0.128 0.000 0.981 272 R CB 0.598 30.941 30.300 0.070 0.000 0.972 272 R HN 0.580 nan 8.270 nan 0.000 0.437 273 V N 3.938 123.944 119.914 0.154 0.000 2.459 273 V HA 0.318 4.448 4.120 0.018 0.000 0.295 273 V C -0.008 176.170 176.094 0.139 0.000 1.029 273 V CA -0.627 61.744 62.300 0.118 0.000 0.874 273 V CB 2.011 33.865 31.823 0.051 0.000 0.985 273 V HN 0.761 nan 8.190 nan 0.000 0.438 274 T N 5.967 120.591 114.554 0.117 0.000 2.812 274 T HA 0.650 5.010 4.350 0.018 0.000 0.282 274 T C -0.404 174.312 174.700 0.027 0.000 0.990 274 T CA -0.177 61.989 62.100 0.109 0.000 0.960 274 T CB 0.992 69.979 68.868 0.198 0.000 0.948 274 T HN 0.407 nan 8.240 nan 0.000 0.438 275 I N 2.854 123.440 120.570 0.027 0.000 2.362 275 I HA 0.683 4.863 4.170 0.018 0.000 0.289 275 I C 0.029 176.155 176.117 0.015 0.000 0.994 275 I CA -0.912 60.395 61.300 0.010 0.000 1.158 275 I CB 1.462 39.466 38.000 0.007 0.000 1.315 275 I HN 0.644 nan 8.210 nan 0.000 0.451 276 A N 4.210 127.036 122.820 0.010 0.000 2.401 276 A HA 0.768 5.099 4.320 0.018 0.000 0.310 276 A C 0.418 178.010 177.584 0.013 0.000 1.075 276 A CA -0.554 51.491 52.037 0.015 0.000 0.746 276 A CB 1.637 20.648 19.000 0.019 0.000 1.277 276 A HN 0.831 nan 8.150 nan 0.000 0.425 277 A N 0.631 123.459 122.820 0.014 0.000 2.236 277 A HA 0.269 4.600 4.320 0.018 0.000 0.214 277 A C 0.840 178.437 177.584 0.021 0.000 1.287 277 A CA 0.389 52.435 52.037 0.015 0.000 0.909 277 A CB -1.372 17.636 19.000 0.013 0.000 0.839 277 A HN 1.111 nan 8.150 nan 0.000 0.486 278 C N 0.927 120.241 119.300 0.024 0.000 2.632 278 C HA 0.361 4.832 4.460 0.018 0.000 0.415 278 C C -0.088 174.927 174.990 0.042 0.000 1.332 278 C CA -0.567 58.469 59.018 0.031 0.000 1.874 278 C CB -0.333 27.425 27.740 0.030 0.000 2.596 278 C HN 0.561 nan 8.230 nan 0.000 0.590 279 D N 3.404 123.834 120.400 0.050 0.000 2.329 279 D HA 0.429 5.080 4.640 0.018 0.000 0.232 279 D C 0.643 176.997 176.300 0.090 0.000 1.088 279 D CA -0.051 53.990 54.000 0.068 0.000 0.835 279 D CB 1.753 42.590 40.800 0.062 0.000 1.078 279 D HN 0.707 nan 8.370 nan 0.000 0.495 280 A N 3.547 126.433 122.820 0.110 0.000 2.121 280 A HA 0.058 4.388 4.320 0.018 0.000 0.218 280 A C 1.914 179.627 177.584 0.215 0.000 1.154 280 A CA 1.372 53.487 52.037 0.132 0.000 0.679 280 A CB -0.283 18.773 19.000 0.093 0.000 0.795 280 A HN 0.612 nan 8.150 nan 0.000 0.458 281 A N -0.417 122.504 122.820 0.169 0.000 2.172 281 A HA -0.006 4.325 4.320 0.018 0.000 0.216 281 A C 0.958 178.721 177.584 0.298 0.000 1.154 281 A CA 1.007 53.159 52.037 0.192 0.000 0.701 281 A CB -0.243 18.807 19.000 0.083 0.000 0.789 281 A HN 0.396 nan 8.150 nan 0.000 0.465 282 D N -0.190 120.318 120.400 0.179 0.000 2.456 282 D HA 0.147 4.798 4.640 0.018 0.000 0.219 282 D C 1.151 177.443 176.300 -0.013 0.000 1.126 282 D CA -0.444 53.606 54.000 0.083 0.000 0.890 282 D CB 0.338 41.168 40.800 0.051 0.000 1.025 282 D HN 0.301 nan 8.370 nan 0.000 0.511 283 R N 3.172 123.533 120.500 -0.231 0.000 2.091 283 R HA -0.198 4.153 4.340 0.018 0.000 0.238 283 R C 1.661 177.848 176.300 -0.187 0.000 1.136 283 R CA 1.677 57.496 56.100 -0.468 0.000 0.959 283 R CB 0.089 29.869 30.300 -0.866 0.000 0.856 283 R HN 0.576 nan 8.270 nan 0.000 0.437 284 E N -0.243 119.887 120.200 -0.118 0.000 2.058 284 E HA -0.207 4.153 4.350 0.018 0.000 0.194 284 E C 1.754 178.333 176.600 -0.035 0.000 0.997 284 E CA 1.438 57.801 56.400 -0.062 0.000 0.801 284 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 284 E HN 0.477 nan 8.360 nan 0.000 0.450 285 A N 0.809 123.617 122.820 -0.020 0.000 1.930 285 A HA -0.124 4.206 4.320 0.018 0.000 0.217 285 A C 2.137 179.723 177.584 0.004 0.000 1.175 285 A CA 1.237 53.274 52.037 -0.001 0.000 0.627 285 A CB -0.599 18.409 19.000 0.013 0.000 0.815 285 A HN 0.407 nan 8.150 nan 0.000 0.443 286 L N -0.319 120.906 121.223 0.002 0.000 2.093 286 L HA 0.011 4.362 4.340 0.018 0.000 0.208 286 L C 2.564 179.437 176.870 0.005 0.000 1.085 286 L CA 2.071 56.921 54.840 0.016 0.000 0.755 286 L CB -0.668 41.411 42.059 0.034 0.000 0.904 286 L HN 0.307 nan 8.230 nan 0.000 0.435 287 A N -0.389 122.422 122.820 -0.016 0.000 1.933 287 A HA -0.051 4.279 4.320 0.018 0.000 0.218 287 A C 2.443 180.025 177.584 -0.003 0.000 1.175 287 A CA 1.593 53.622 52.037 -0.014 0.000 0.628 287 A CB -1.086 17.895 19.000 -0.032 0.000 0.814 287 A HN 0.567 nan 8.150 nan 0.000 0.444 288 A N -0.618 122.200 122.820 -0.003 0.000 1.930 288 A HA 0.018 4.348 4.320 0.018 0.000 0.217 288 A C 2.117 179.709 177.584 0.014 0.000 1.175 288 A CA 1.597 53.637 52.037 0.005 0.000 0.627 288 A CB -0.521 18.481 19.000 0.003 0.000 0.815 288 A HN 0.634 nan 8.150 nan 0.000 0.443 289 L N -0.284 120.949 121.223 0.018 0.000 2.056 289 L HA -0.042 4.309 4.340 0.018 0.000 0.207 289 L C 2.203 179.092 176.870 0.032 0.000 1.078 289 L CA 1.544 56.400 54.840 0.027 0.000 0.749 289 L CB -0.339 41.735 42.059 0.026 0.000 0.901 289 L HN 0.385 nan 8.230 nan 0.000 0.433 290 L N -0.582 120.656 121.223 0.026 0.000 2.201 290 L HA -0.126 4.225 4.340 0.018 0.000 0.212 290 L C 2.584 179.470 176.870 0.026 0.000 1.105 290 L CA 0.910 55.767 54.840 0.028 0.000 0.775 290 L CB -0.901 41.172 42.059 0.023 0.000 0.913 290 L HN 0.368 nan 8.230 nan 0.000 0.440 291 A N 0.621 123.453 122.820 0.019 0.000 2.067 291 A HA -0.163 4.167 4.320 0.018 0.000 0.219 291 A C 2.018 179.614 177.584 0.020 0.000 1.158 291 A CA 1.323 53.370 52.037 0.016 0.000 0.661 291 A CB -0.364 18.642 19.000 0.009 0.000 0.801 291 A HN 0.634 nan 8.150 nan 0.000 0.452 292 E N -0.020 120.197 120.200 0.028 0.000 2.474 292 E HA 0.213 4.574 4.350 0.018 0.000 0.195 292 E C -0.189 176.436 176.600 0.042 0.000 1.039 292 E CA -0.475 55.943 56.400 0.031 0.000 0.881 292 E CB -0.353 29.365 29.700 0.030 0.000 0.970 292 E HN 0.520 nan 8.360 nan 0.000 0.486 293 L N 2.752 124.007 121.223 0.054 0.000 2.525 293 L HA 0.120 4.470 4.340 0.018 0.000 0.278 293 L C -1.810 175.081 176.870 0.036 0.000 1.218 293 L CA -1.589 53.294 54.840 0.072 0.000 0.878 293 L CB -0.382 41.726 42.059 0.082 0.000 1.127 293 L HN -0.043 nan 8.230 nan 0.000 0.492 294 P HA -0.071 nan 4.420 nan 0.000 0.267 294 P C 0.473 177.776 177.300 0.006 0.000 1.201 294 P CA -0.043 63.047 63.100 -0.018 0.000 0.775 294 P CB 0.544 32.208 31.700 -0.060 0.000 0.854 295 E N 1.431 121.632 120.200 0.003 0.000 2.150 295 E HA -0.188 4.172 4.350 0.018 0.000 0.193 295 E C 0.773 177.383 176.600 0.017 0.000 0.985 295 E CA 1.176 57.583 56.400 0.011 0.000 0.814 295 E CB 0.009 29.713 29.700 0.008 0.000 0.752 295 E HN 0.542 nan 8.360 nan 0.000 0.466 296 D N -0.766 119.642 120.400 0.012 0.000 2.328 296 D HA 0.019 4.670 4.640 0.018 0.000 0.226 296 D C 0.008 176.327 176.300 0.033 0.000 1.066 296 D CA 0.130 54.143 54.000 0.022 0.000 0.861 296 D CB 0.519 41.327 40.800 0.014 0.000 0.912 296 D HN 0.044 nan 8.370 nan 0.000 0.521 297 A N 1.236 124.075 122.820 0.031 0.000 3.453 297 A HA 0.378 4.708 4.320 0.018 0.000 0.262 297 A C -2.749 174.873 177.584 0.063 0.000 1.026 297 A CA -1.025 51.045 52.037 0.055 0.000 0.938 297 A CB 0.569 19.604 19.000 0.059 0.000 1.246 297 A HN -0.003 nan 8.150 nan 0.000 0.546 298 P HA 0.106 nan 4.420 nan 0.000 0.268 298 P C 0.132 177.438 177.300 0.010 0.000 1.208 298 P CA -0.061 63.057 63.100 0.030 0.000 0.777 298 P CB 0.805 32.521 31.700 0.026 0.000 0.875 299 L N 3.333 124.568 121.223 0.019 0.000 2.559 299 L HA 0.020 4.371 4.340 0.018 0.000 0.274 299 L C 1.414 178.271 176.870 -0.021 0.000 1.205 299 L CA 1.454 56.299 54.840 0.009 0.000 0.907 299 L CB -0.306 41.769 42.059 0.026 0.000 1.153 299 L HN 0.612 nan 8.230 nan 0.000 0.490 300 T N 1.219 115.741 114.554 -0.053 0.000 2.975 300 T HA 0.708 5.069 4.350 0.018 0.000 0.257 300 T C 0.276 174.975 174.700 -0.001 0.000 1.003 300 T CA 0.246 62.298 62.100 -0.079 0.000 0.932 300 T CB 0.234 68.919 68.868 -0.303 0.000 1.087 300 T HN 0.822 nan 8.240 nan 0.000 0.512 301 A N 0.290 123.131 122.820 0.035 0.000 2.605 301 A HA 0.706 5.037 4.320 0.018 0.000 0.294 301 A C -1.695 175.922 177.584 0.054 0.000 1.062 301 A CA -0.683 51.387 52.037 0.055 0.000 0.682 301 A CB 1.642 20.729 19.000 0.144 0.000 1.278 301 A HN 0.297 nan 8.150 nan 0.000 0.410 302 V N 0.837 120.709 119.914 -0.069 0.000 2.656 302 V HA 0.679 4.810 4.120 0.018 0.000 0.307 302 V C -1.505 174.341 176.094 -0.414 0.000 1.051 302 V CA -0.316 61.903 62.300 -0.135 0.000 0.893 302 V CB 1.616 33.312 31.823 -0.211 0.000 0.999 302 V HN 0.711 nan 8.190 nan 0.000 0.426 303 F N 2.856 122.670 119.950 -0.226 0.000 2.496 303 F HA 0.437 4.977 4.527 0.021 0.000 0.341 303 F C -0.076 175.480 175.800 -0.407 0.000 1.134 303 F CA -0.588 57.199 58.000 -0.356 0.000 0.968 303 F CB 1.197 40.013 39.000 -0.306 0.000 1.205 303 F HN 0.582 nan 8.300 nan 0.000 0.436 304 H N 1.473 120.240 119.070 -0.506 0.000 2.685 304 H HA 0.326 4.892 4.556 0.016 0.000 0.286 304 H C 0.332 175.411 175.328 -0.415 0.000 1.102 304 H CA -0.162 55.657 56.048 -0.382 0.000 1.254 304 H CB 1.400 30.964 29.762 -0.329 0.000 1.397 304 H HN 0.508 nan 8.280 nan 0.000 0.473 305 S N 3.043 118.414 115.700 -0.549 0.000 2.523 305 S HA 0.390 4.871 4.470 0.018 0.000 0.217 305 S C 0.620 175.067 174.600 -0.255 0.000 0.996 305 S CA 0.105 58.116 58.200 -0.315 0.000 0.921 305 S CB -0.154 62.959 63.200 -0.145 0.000 0.829 305 S HN 0.805 nan 8.310 nan 0.000 0.495 306 A N 0.863 123.411 122.820 -0.453 0.000 2.483 306 A HA 0.592 4.923 4.320 0.018 0.000 0.238 306 A C 0.740 178.218 177.584 -0.176 0.000 1.070 306 A CA 0.534 52.435 52.037 -0.228 0.000 0.770 306 A CB -0.457 18.475 19.000 -0.114 0.000 1.008 306 A HN 1.079 nan 8.150 nan 0.000 0.497 307 G N -0.170 108.616 108.800 -0.023 0.000 2.462 307 G HA2 0.518 4.488 3.960 0.018 0.000 0.424 307 G HA3 0.518 4.488 3.960 0.018 0.000 0.424 307 G C -0.747 174.221 174.900 0.114 0.000 1.573 307 G CA -0.275 44.859 45.100 0.056 0.000 0.913 307 G HN 2.087 nan 8.290 nan 0.000 0.672 308 V N 0.042 120.003 119.914 0.078 0.000 2.966 308 V HA 0.945 5.076 4.120 0.018 0.000 0.317 308 V C 1.081 177.109 176.094 -0.109 0.000 1.070 308 V CA 0.198 62.508 62.300 0.018 0.000 1.008 308 V CB 1.683 33.513 31.823 0.012 0.000 1.070 308 V HN 2.230 nan 8.190 nan 0.000 0.457 309 A N 0.469 123.087 122.820 -0.338 0.000 2.343 309 A HA 0.260 4.590 4.320 0.018 0.000 0.223 309 A C 0.917 178.286 177.584 -0.357 0.000 1.214 309 A CA 0.108 51.676 52.037 -0.782 0.000 0.900 309 A CB -0.632 17.697 19.000 -1.117 0.000 0.942 309 A HN 1.129 nan 8.150 nan 0.000 0.507 310 H N -1.363 117.596 119.070 -0.185 0.000 2.607 310 H HA 0.312 4.879 4.556 0.018 0.000 0.367 310 H C -0.510 174.775 175.328 -0.072 0.000 1.181 310 H CA 0.679 56.660 56.048 -0.111 0.000 1.402 310 H CB 0.619 30.335 29.762 -0.077 0.000 1.474 310 H HN 0.084 nan 8.280 nan 0.000 0.596 311 D N 0.258 120.689 120.400 0.051 0.000 2.775 311 D HA -0.163 4.488 4.640 0.018 0.000 0.235 311 D C -0.501 175.770 176.300 -0.049 0.000 1.120 311 D CA 0.955 54.960 54.000 0.008 0.000 0.708 311 D CB -0.879 39.936 40.800 0.026 0.000 1.084 311 D HN 0.704 nan 8.370 nan 0.000 0.434 312 D N -0.709 119.666 120.400 -0.042 0.000 2.529 312 D HA 0.863 5.513 4.640 0.018 0.000 0.273 312 D C -0.198 176.092 176.300 -0.016 0.000 1.197 312 D CA 0.327 54.310 54.000 -0.028 0.000 1.070 312 D CB 1.361 42.148 40.800 -0.021 0.000 1.134 312 D HN 0.263 nan 8.370 nan 0.000 0.590 313 A N 0.167 122.980 122.820 -0.012 0.000 2.597 313 A HA 0.557 4.887 4.320 0.018 0.000 0.292 313 A C -2.822 174.755 177.584 -0.011 0.000 1.057 313 A CA -1.099 50.931 52.037 -0.012 0.000 0.674 313 A CB 0.953 19.945 19.000 -0.014 0.000 1.278 313 A HN 0.343 nan 8.150 nan 0.000 0.416 314 P HA 0.108 nan 4.420 nan 0.000 0.266 314 P C 1.263 178.566 177.300 0.006 0.000 1.186 314 P CA 0.015 63.107 63.100 -0.013 0.000 0.767 314 P CB 0.414 32.104 31.700 -0.016 0.000 0.820 315 V N 2.463 122.389 119.914 0.019 0.000 2.317 315 V HA -0.338 3.793 4.120 0.018 0.000 0.251 315 V C 2.234 178.369 176.094 0.068 0.000 1.065 315 V CA 2.791 65.120 62.300 0.049 0.000 1.049 315 V CB -1.601 30.279 31.823 0.095 0.000 0.651 315 V HN 0.729 nan 8.190 nan 0.000 0.450 316 A N -1.076 121.818 122.820 0.124 0.000 2.168 316 A HA -0.114 4.217 4.320 0.018 0.000 0.215 316 A C 1.715 179.316 177.584 0.028 0.000 1.152 316 A CA 1.578 53.667 52.037 0.088 0.000 0.716 316 A CB -0.236 18.846 19.000 0.137 0.000 0.794 316 A HN 0.614 nan 8.150 nan 0.000 0.465 317 D N -1.672 118.738 120.400 0.016 0.000 2.473 317 D HA 0.135 4.786 4.640 0.018 0.000 0.242 317 D C 0.315 176.604 176.300 -0.018 0.000 1.106 317 D CA -0.312 53.686 54.000 -0.003 0.000 0.854 317 D CB -0.134 40.665 40.800 -0.002 0.000 1.192 317 D HN 0.321 nan 8.370 nan 0.000 0.503 318 L N 2.729 123.941 121.223 -0.019 0.000 2.540 318 L HA 0.104 4.455 4.340 0.018 0.000 0.276 318 L C 0.622 177.457 176.870 -0.059 0.000 1.212 318 L CA 0.454 55.273 54.840 -0.035 0.000 0.893 318 L CB 0.399 42.439 42.059 -0.031 0.000 1.138 318 L HN 0.020 nan 8.230 nan 0.000 0.491 319 T N 2.160 116.670 114.554 -0.074 0.000 2.902 319 T HA 0.334 4.694 4.350 0.018 0.000 0.280 319 T C 1.447 176.039 174.700 -0.180 0.000 0.992 319 T CA -0.764 61.270 62.100 -0.110 0.000 1.015 319 T CB 0.733 69.547 68.868 -0.090 0.000 1.044 319 T HN 0.586 nan 8.240 nan 0.000 0.520 320 L N 1.099 122.150 121.223 -0.287 0.000 2.083 320 L HA 0.084 4.435 4.340 0.018 0.000 0.209 320 L C 2.975 179.493 176.870 -0.586 0.000 1.083 320 L CA 1.511 56.025 54.840 -0.543 0.000 0.752 320 L CB -1.092 40.420 42.059 -0.912 0.000 0.899 320 L HN 1.003 nan 8.230 nan 0.000 0.433 321 G N -0.741 107.847 108.800 -0.353 0.000 2.422 321 G HA2 -0.245 3.725 3.960 0.018 0.000 0.218 321 G HA3 -0.245 3.725 3.960 0.018 0.000 0.218 321 G C 1.516 176.363 174.900 -0.089 0.000 1.146 321 G CA 0.304 45.334 45.100 -0.116 0.000 0.769 321 G HN 0.379 nan 8.290 nan 0.000 0.547 322 Q N -0.752 118.989 119.800 -0.097 0.000 2.079 322 Q HA -0.027 4.323 4.340 0.018 0.000 0.200 322 Q C 2.479 178.431 176.000 -0.080 0.000 0.974 322 Q CA 1.016 56.775 55.803 -0.073 0.000 0.840 322 Q CB -0.250 28.451 28.738 -0.061 0.000 0.898 322 Q HN 0.414 nan 8.270 nan 0.000 0.430 323 L N 1.152 122.310 121.223 -0.108 0.000 2.083 323 L HA -0.181 4.170 4.340 0.018 0.000 0.209 323 L C 1.642 178.465 176.870 -0.077 0.000 1.083 323 L CA 2.074 56.861 54.840 -0.088 0.000 0.752 323 L CB -0.551 41.440 42.059 -0.113 0.000 0.899 323 L HN 0.141 nan 8.230 nan 0.000 0.433 324 D N -0.721 119.620 120.400 -0.099 0.000 2.123 324 D HA -0.194 4.457 4.640 0.018 0.000 0.196 324 D C 2.148 178.436 176.300 -0.019 0.000 0.992 324 D CA 1.439 55.416 54.000 -0.037 0.000 0.833 324 D CB -0.003 40.817 40.800 0.033 0.000 0.954 324 D HN 0.451 nan 8.370 nan 0.000 0.455 325 A N -0.292 122.512 122.820 -0.026 0.000 1.972 325 A HA -0.077 4.253 4.320 0.018 0.000 0.219 325 A C 2.276 179.838 177.584 -0.036 0.000 1.169 325 A CA 0.938 52.958 52.037 -0.029 0.000 0.635 325 A CB -0.655 18.317 19.000 -0.047 0.000 0.810 325 A HN 0.352 nan 8.150 nan 0.000 0.446 326 L N -1.070 120.134 121.223 -0.033 0.000 2.131 326 L HA -0.126 4.225 4.340 0.018 0.000 0.206 326 L C 2.675 179.562 176.870 0.027 0.000 1.087 326 L CA 0.721 55.566 54.840 0.009 0.000 0.767 326 L CB -0.392 41.691 42.059 0.039 0.000 0.917 326 L HN 0.292 nan 8.230 nan 0.000 0.441 327 M N -0.492 119.106 119.600 -0.003 0.000 2.159 327 M HA -0.216 4.275 4.480 0.018 0.000 0.263 327 M C 2.344 178.627 176.300 -0.029 0.000 1.063 327 M CA 1.560 56.845 55.300 -0.025 0.000 1.110 327 M CB -1.226 31.342 32.600 -0.053 0.000 1.374 327 M HN 0.240 nan 8.290 nan 0.000 0.411 328 R N 0.468 120.960 120.500 -0.013 0.000 2.081 328 R HA -0.071 4.280 4.340 0.018 0.000 0.235 328 R C 1.920 178.228 176.300 0.012 0.000 1.131 328 R CA 1.706 57.799 56.100 -0.012 0.000 0.960 328 R CB -0.144 30.160 30.300 0.006 0.000 0.856 328 R HN 0.312 nan 8.270 nan 0.000 0.436 329 A N 0.089 122.938 122.820 0.049 0.000 2.238 329 A HA 0.050 4.380 4.320 0.018 0.000 0.208 329 A C 1.338 179.038 177.584 0.194 0.000 1.177 329 A CA 0.475 52.576 52.037 0.106 0.000 0.804 329 A CB 0.072 19.123 19.000 0.085 0.000 0.823 329 A HN 0.177 nan 8.150 nan 0.000 0.482 330 K N -0.887 119.590 120.400 0.128 0.000 2.290 330 K HA 0.236 4.566 4.320 0.018 0.000 0.225 330 K C 1.851 178.508 176.600 0.096 0.000 1.060 330 K CA 0.507 56.901 56.287 0.177 0.000 0.903 330 K CB -1.090 31.475 32.500 0.109 0.000 1.158 330 K HN 0.362 nan 8.250 nan 0.000 0.460 331 L N 1.826 122.987 121.223 -0.103 0.000 1.994 331 L HA -0.163 4.187 4.340 0.018 0.000 0.208 331 L C 2.233 178.919 176.870 -0.308 0.000 1.071 331 L CA 1.802 56.367 54.840 -0.459 0.000 0.745 331 L CB -0.548 41.121 42.059 -0.650 0.000 0.892 331 L HN 0.194 nan 8.230 nan 0.000 0.431 332 T N -0.022 114.388 114.554 -0.239 0.000 2.737 332 T HA -0.126 4.235 4.350 0.018 0.000 0.265 332 T C 1.878 176.323 174.700 -0.425 0.000 1.038 332 T CA 1.288 63.193 62.100 -0.324 0.000 1.144 332 T CB -0.448 68.293 68.868 -0.213 0.000 0.866 332 T HN 0.550 nan 8.240 nan 0.000 0.434 333 A N 1.378 124.086 122.820 -0.187 0.000 1.902 333 A HA 0.180 4.510 4.320 0.018 0.000 0.217 333 A C 2.584 180.046 177.584 -0.203 0.000 1.181 333 A CA 1.817 53.781 52.037 -0.122 0.000 0.623 333 A CB -1.010 18.010 19.000 0.034 0.000 0.818 333 A HN 0.506 nan 8.150 nan 0.000 0.443 334 A N -0.953 121.758 122.820 -0.181 0.000 1.970 334 A HA -0.023 4.307 4.320 0.018 0.000 0.216 334 A C 2.205 179.873 177.584 0.140 0.000 1.170 334 A CA 1.142 53.120 52.037 -0.098 0.000 0.645 334 A CB -0.405 18.642 19.000 0.079 0.000 0.816 334 A HN 0.492 nan 8.150 nan 0.000 0.447 335 R N -0.914 119.636 120.500 0.084 0.000 2.083 335 R HA -0.172 4.178 4.340 0.018 0.000 0.237 335 R C 1.985 178.395 176.300 0.184 0.000 1.137 335 R CA 2.006 58.189 56.100 0.137 0.000 0.951 335 R CB -0.450 29.843 30.300 -0.011 0.000 0.851 335 R HN 0.802 nan 8.270 nan 0.000 0.434 336 H N -0.293 118.835 119.070 0.097 0.000 2.389 336 H HA -0.082 4.485 4.556 0.018 0.000 0.299 336 H C 2.168 177.546 175.328 0.083 0.000 1.081 336 H CA 1.036 57.123 56.048 0.066 0.000 1.345 336 H CB 0.061 29.843 29.762 0.034 0.000 1.393 336 H HN 0.131 nan 8.280 nan 0.000 0.520 337 L N -0.283 121.073 121.223 0.221 0.000 2.056 337 L HA -0.195 4.155 4.340 0.018 0.000 0.207 337 L C 2.608 179.692 176.870 0.357 0.000 1.078 337 L CA 1.377 56.364 54.840 0.246 0.000 0.749 337 L CB -0.338 41.796 42.059 0.125 0.000 0.901 337 L HN 0.377 nan 8.230 nan 0.000 0.433 338 H N 0.338 119.570 119.070 0.271 0.000 2.321 338 H HA -0.169 4.397 4.556 0.018 0.000 0.300 338 H C 2.106 177.418 175.328 -0.027 0.000 1.087 338 H CA 2.030 58.062 56.048 -0.026 0.000 1.319 338 H CB 0.097 29.850 29.762 -0.015 0.000 1.379 338 H HN 0.284 nan 8.280 nan 0.000 0.501 339 E N -0.046 120.088 120.200 -0.109 0.000 2.106 339 E HA -0.084 4.277 4.350 0.018 0.000 0.192 339 E C 2.081 178.599 176.600 -0.137 0.000 0.984 339 E CA 1.124 57.408 56.400 -0.193 0.000 0.806 339 E CB 0.045 29.757 29.700 0.020 0.000 0.750 339 E HN 0.477 nan 8.360 nan 0.000 0.458 340 L N 0.416 121.617 121.223 -0.036 0.000 2.554 340 L HA 0.004 4.355 4.340 0.018 0.000 0.226 340 L C 2.025 178.879 176.870 -0.027 0.000 1.137 340 L CA 1.003 55.831 54.840 -0.020 0.000 0.863 340 L CB -0.038 42.032 42.059 0.018 0.000 0.985 340 L HN 0.258 nan 8.230 nan 0.000 0.451 341 T N -5.620 108.904 114.554 -0.050 0.000 3.040 341 T HA 0.239 4.600 4.350 0.018 0.000 0.266 341 T C 1.655 176.272 174.700 -0.138 0.000 1.005 341 T CA 0.419 62.492 62.100 -0.046 0.000 0.906 341 T CB 0.498 69.401 68.868 0.059 0.000 1.082 341 T HN 0.102 nan 8.240 nan 0.000 0.531 342 A N 1.647 124.315 122.820 -0.253 0.000 2.131 342 A HA -0.070 4.260 4.320 0.018 0.000 0.220 342 A C 1.986 179.480 177.584 -0.151 0.000 1.158 342 A CA 1.740 53.610 52.037 -0.279 0.000 0.665 342 A CB -0.672 18.074 19.000 -0.424 0.000 0.795 342 A HN 0.495 nan 8.150 nan 0.000 0.460 343 D N -1.350 118.985 120.400 -0.109 0.000 2.360 343 D HA 0.215 4.866 4.640 0.018 0.000 0.210 343 D C 0.632 176.906 176.300 -0.043 0.000 1.047 343 D CA 0.021 53.981 54.000 -0.067 0.000 0.854 343 D CB 0.061 40.828 40.800 -0.055 0.000 0.936 343 D HN 0.412 nan 8.370 nan 0.000 0.514 344 L N -0.131 121.068 121.223 -0.040 0.000 2.488 344 L HA 0.340 4.691 4.340 0.018 0.000 0.249 344 L C 0.169 177.030 176.870 -0.015 0.000 1.151 344 L CA -0.639 54.191 54.840 -0.017 0.000 0.806 344 L CB 0.600 42.656 42.059 -0.005 0.000 1.261 344 L HN -0.192 nan 8.230 nan 0.000 0.484 345 D N 1.007 121.408 120.400 0.001 0.000 2.551 345 D HA 0.348 4.998 4.640 0.018 0.000 0.294 345 D C -0.689 175.619 176.300 0.014 0.000 1.201 345 D CA -0.480 53.520 54.000 0.001 0.000 0.941 345 D CB 0.175 40.980 40.800 0.009 0.000 0.995 345 D HN 0.061 nan 8.370 nan 0.000 0.502 346 L N 1.711 122.941 121.223 0.011 0.000 2.467 346 L HA 0.171 4.522 4.340 0.018 0.000 0.270 346 L C 1.596 178.493 176.870 0.045 0.000 1.205 346 L CA 0.379 55.241 54.840 0.036 0.000 0.828 346 L CB 0.554 42.652 42.059 0.066 0.000 1.101 346 L HN 0.202 nan 8.230 nan 0.000 0.479 347 D N 0.577 121.011 120.400 0.057 0.000 2.213 347 D HA 0.195 4.846 4.640 0.018 0.000 0.205 347 D C 0.254 176.589 176.300 0.058 0.000 0.961 347 D CA 1.006 55.050 54.000 0.073 0.000 0.853 347 D CB 0.338 41.207 40.800 0.114 0.000 0.967 347 D HN 0.563 nan 8.370 nan 0.000 0.496 348 A N -0.246 122.597 122.820 0.039 0.000 2.520 348 A HA 0.586 4.917 4.320 0.018 0.000 0.298 348 A C -1.843 175.737 177.584 -0.008 0.000 1.051 348 A CA -0.617 51.407 52.037 -0.022 0.000 0.690 348 A CB 1.313 20.241 19.000 -0.120 0.000 1.281 348 A HN 0.020 nan 8.150 nan 0.000 0.402 349 F N 2.692 122.521 119.950 -0.202 0.000 2.828 349 F HA 0.556 5.091 4.527 0.014 0.000 0.355 349 F C -1.360 174.308 175.800 -0.221 0.000 1.200 349 F CA -0.394 57.487 58.000 -0.199 0.000 1.062 349 F CB 1.615 40.560 39.000 -0.090 0.000 1.351 349 F HN 0.367 nan 8.300 nan 0.000 0.504 350 V N 7.140 126.730 119.914 -0.540 0.000 2.357 350 V HA 0.418 4.548 4.120 0.018 0.000 0.284 350 V C -0.245 175.647 176.094 -0.336 0.000 1.018 350 V CA -0.653 61.419 62.300 -0.380 0.000 0.841 350 V CB 1.549 33.032 31.823 -0.568 0.000 0.991 350 V HN 0.567 nan 8.190 nan 0.000 0.437 351 L N 5.128 126.281 121.223 -0.116 0.000 2.296 351 L HA 0.568 4.919 4.340 0.018 0.000 0.286 351 L C -0.771 176.228 176.870 0.215 0.000 1.023 351 L CA -0.414 54.421 54.840 -0.009 0.000 0.812 351 L CB 1.232 43.299 42.059 0.013 0.000 1.223 351 L HN 0.395 nan 8.230 nan 0.000 0.421 352 F N 1.767 121.705 119.950 -0.021 0.000 2.411 352 F HA 0.365 4.900 4.527 0.014 0.000 0.355 352 F C 0.782 176.544 175.800 -0.063 0.000 1.117 352 F CA -0.340 57.632 58.000 -0.046 0.000 1.139 352 F CB 1.416 40.514 39.000 0.164 0.000 1.120 352 F HN 0.461 nan 8.300 nan 0.000 0.493 353 S N 2.185 117.886 115.700 0.000 0.000 2.618 353 S HA 0.787 5.267 4.470 0.018 0.000 0.284 353 S C -0.486 174.063 174.600 -0.084 0.000 1.102 353 S CA -0.284 57.868 58.200 -0.079 0.000 0.984 353 S CB 1.515 64.646 63.200 -0.114 0.000 1.280 353 S HN 0.603 nan 8.310 nan 0.000 0.525 354 S N -1.877 113.726 115.700 -0.163 0.000 2.547 354 S HA 0.526 5.007 4.470 0.018 0.000 0.270 354 S C 0.771 175.163 174.600 -0.347 0.000 1.150 354 S CA 0.038 58.168 58.200 -0.116 0.000 0.850 354 S CB 0.770 63.907 63.200 -0.105 0.000 1.118 354 S HN 1.007 nan 8.310 nan 0.000 0.461 355 G N 1.804 110.292 108.800 -0.519 0.000 2.479 355 G HA2 -0.054 3.916 3.960 0.018 0.000 0.220 355 G HA3 -0.054 3.916 3.960 0.018 0.000 0.220 355 G C 1.515 175.658 174.900 -1.263 0.000 1.115 355 G CA 1.139 45.327 45.100 -1.521 0.000 0.757 355 G HN 1.142 nan 8.290 nan 0.000 0.560 356 A N 0.950 123.471 122.820 -0.500 0.000 1.940 356 A HA 0.222 4.553 4.320 0.018 0.000 0.219 356 A C 2.705 180.141 177.584 -0.247 0.000 1.176 356 A CA 2.273 54.161 52.037 -0.248 0.000 0.631 356 A CB -0.524 18.497 19.000 0.035 0.000 0.814 356 A HN 0.792 nan 8.150 nan 0.000 0.446 357 A N -1.329 121.325 122.820 -0.277 0.000 2.081 357 A HA 0.310 4.641 4.320 0.018 0.000 0.214 357 A C 2.033 179.524 177.584 -0.155 0.000 1.158 357 A CA 1.198 53.135 52.037 -0.167 0.000 0.724 357 A CB -0.230 18.675 19.000 -0.157 0.000 0.826 357 A HN 0.303 nan 8.150 nan 0.000 0.463 358 V N -1.786 117.939 119.914 -0.315 0.000 2.492 358 V HA -0.120 4.010 4.120 0.018 0.000 0.241 358 V C 2.096 178.204 176.094 0.023 0.000 1.041 358 V CA 1.745 63.951 62.300 -0.157 0.000 1.057 358 V CB -0.644 31.056 31.823 -0.204 0.000 0.711 358 V HN 0.982 nan 8.190 nan 0.000 0.468 359 W N 0.005 121.347 121.300 0.071 0.000 2.901 359 W HA 0.674 5.342 4.660 0.013 0.000 0.281 359 W C 0.707 177.413 176.519 0.312 0.000 1.167 359 W CA 0.133 57.559 57.345 0.136 0.000 1.506 359 W CB -0.114 29.334 29.460 -0.021 0.000 0.985 359 W HN 0.273 nan 8.180 nan 0.000 0.590 360 G N 1.120 110.027 108.800 0.177 0.000 3.069 360 G HA2 0.231 4.201 3.960 0.018 0.000 0.686 360 G HA3 0.231 4.201 3.960 0.018 0.000 0.686 360 G C -1.127 173.984 174.900 0.352 0.000 1.161 360 G CA -0.434 44.810 45.100 0.241 0.000 0.804 360 G HN 0.468 nan 8.290 nan 0.000 0.608 361 S N 0.734 116.545 115.700 0.186 0.000 2.594 361 S HA 0.785 5.265 4.470 0.018 0.000 0.296 361 S C 0.822 175.475 174.600 0.089 0.000 1.124 361 S CA 0.558 58.883 58.200 0.208 0.000 1.011 361 S CB 1.127 64.439 63.200 0.186 0.000 1.016 361 S HN 2.130 nan 8.310 nan 0.000 0.485 362 G N 1.883 110.713 108.800 0.051 0.000 2.414 362 G HA2 0.430 4.401 3.960 0.018 0.000 0.236 362 G HA3 0.430 4.401 3.960 0.018 0.000 0.236 362 G C 1.210 176.107 174.900 -0.004 0.000 1.293 362 G CA 0.331 45.417 45.100 -0.023 0.000 0.869 362 G HN 1.903 nan 8.290 nan 0.000 0.556 363 G N 0.930 109.714 108.800 -0.026 0.000 2.217 363 G HA2 -0.259 3.711 3.960 0.018 0.000 0.246 363 G HA3 -0.259 3.711 3.960 0.018 0.000 0.246 363 G C 0.691 175.595 174.900 0.007 0.000 0.990 363 G CA 0.579 45.672 45.100 -0.011 0.000 0.627 363 G HN 0.828 nan 8.290 nan 0.000 0.522 364 Q N 0.335 120.150 119.800 0.026 0.000 2.233 364 Q HA 0.204 4.555 4.340 0.018 0.000 0.340 364 Q C -1.587 174.452 176.000 0.065 0.000 0.899 364 Q CA -1.122 54.721 55.803 0.067 0.000 1.139 364 Q CB 1.540 30.352 28.738 0.124 0.000 1.273 364 Q HN 0.447 nan 8.270 nan 0.000 0.431 365 P HA -0.151 nan 4.420 nan 0.000 0.217 365 P C 1.343 178.660 177.300 0.029 0.000 1.151 365 P CA 1.391 64.494 63.100 0.006 0.000 0.828 365 P CB 0.185 31.872 31.700 -0.021 0.000 0.788 366 G N -0.990 107.835 108.800 0.043 0.000 2.402 366 G HA2 -0.287 3.683 3.960 0.018 0.000 0.216 366 G HA3 -0.287 3.683 3.960 0.018 0.000 0.216 366 G C 1.621 176.584 174.900 0.106 0.000 1.162 366 G CA 0.413 45.543 45.100 0.049 0.000 0.777 366 G HN 0.177 nan 8.290 nan 0.000 0.539 367 Y N 1.969 122.257 120.300 -0.019 0.000 2.314 367 Y HA 0.168 4.730 4.550 0.020 0.000 0.293 367 Y C 2.871 178.770 175.900 -0.001 0.000 1.129 367 Y CA 0.697 58.791 58.100 -0.010 0.000 1.201 367 Y CB -0.317 38.138 38.460 -0.009 0.000 0.999 367 Y HN 0.247 nan 8.280 nan 0.000 0.541 368 A N 0.243 123.092 122.820 0.049 0.000 1.877 368 A HA -0.123 4.207 4.320 0.018 0.000 0.216 368 A C 2.455 180.023 177.584 -0.026 0.000 1.186 368 A CA 1.974 53.989 52.037 -0.037 0.000 0.620 368 A CB -1.453 17.545 19.000 -0.003 0.000 0.822 368 A HN 0.512 nan 8.150 nan 0.000 0.443 369 A N -0.219 122.610 122.820 0.015 0.000 1.902 369 A HA 0.152 4.482 4.320 0.018 0.000 0.217 369 A C 2.500 180.113 177.584 0.048 0.000 1.181 369 A CA 2.165 54.231 52.037 0.047 0.000 0.623 369 A CB -0.990 18.039 19.000 0.048 0.000 0.818 369 A HN 1.054 nan 8.150 nan 0.000 0.443 370 A N 0.071 122.895 122.820 0.007 0.000 1.898 370 A HA -0.169 4.161 4.320 0.018 0.000 0.216 370 A C 1.964 179.549 177.584 0.001 0.000 1.181 370 A CA 1.592 53.637 52.037 0.012 0.000 0.620 370 A CB -0.564 18.433 19.000 -0.006 0.000 0.819 370 A HN 0.567 nan 8.150 nan 0.000 0.442 371 N N 0.202 118.819 118.700 -0.138 0.000 2.270 371 N HA -0.049 4.701 4.740 0.018 0.000 0.181 371 N C 1.855 177.330 175.510 -0.057 0.000 1.016 371 N CA 1.206 54.162 53.050 -0.157 0.000 0.870 371 N CB -0.314 37.953 38.487 -0.366 0.000 0.979 371 N HN 0.469 nan 8.380 nan 0.000 0.431 372 A N 0.349 123.161 122.820 -0.013 0.000 1.969 372 A HA -0.168 4.162 4.320 0.018 0.000 0.218 372 A C 2.033 179.645 177.584 0.047 0.000 1.169 372 A CA 0.777 52.831 52.037 0.028 0.000 0.635 372 A CB -0.758 18.299 19.000 0.096 0.000 0.810 372 A HN 0.413 nan 8.150 nan 0.000 0.445 373 Y N 0.654 120.952 120.300 -0.005 0.000 2.181 373 Y HA -0.159 4.405 4.550 0.024 0.000 0.288 373 Y C 1.874 177.769 175.900 -0.008 0.000 1.146 373 Y CA 1.722 59.820 58.100 -0.003 0.000 1.164 373 Y CB -0.281 38.177 38.460 -0.004 0.000 0.982 373 Y HN 0.222 nan 8.280 nan 0.000 0.515 374 L N -0.028 121.185 121.223 -0.017 0.000 2.012 374 L HA -0.275 4.076 4.340 0.018 0.000 0.210 374 L C 2.200 178.994 176.870 -0.127 0.000 1.073 374 L CA 1.747 56.549 54.840 -0.064 0.000 0.748 374 L CB -0.727 41.363 42.059 0.051 0.000 0.891 374 L HN 0.255 nan 8.230 nan 0.000 0.431 375 D N 0.220 120.563 120.400 -0.094 0.000 2.123 375 D HA -0.181 4.470 4.640 0.018 0.000 0.196 375 D C 2.191 178.419 176.300 -0.120 0.000 0.992 375 D CA 1.601 55.551 54.000 -0.084 0.000 0.833 375 D CB 0.014 40.778 40.800 -0.061 0.000 0.954 375 D HN 0.367 nan 8.370 nan 0.000 0.455 376 A N 1.065 123.777 122.820 -0.180 0.000 1.898 376 A HA -0.133 4.197 4.320 0.018 0.000 0.216 376 A C 2.190 179.619 177.584 -0.259 0.000 1.181 376 A CA 0.885 52.795 52.037 -0.211 0.000 0.620 376 A CB -0.688 18.183 19.000 -0.215 0.000 0.819 376 A HN 0.220 nan 8.150 nan 0.000 0.442 377 L N -0.194 120.767 121.223 -0.437 0.000 2.083 377 L HA -0.050 4.301 4.340 0.018 0.000 0.209 377 L C 2.580 179.355 176.870 -0.158 0.000 1.083 377 L CA 2.076 56.694 54.840 -0.371 0.000 0.752 377 L CB -0.711 41.047 42.059 -0.502 0.000 0.899 377 L HN 0.336 nan 8.230 nan 0.000 0.433 378 A N -1.024 121.740 122.820 -0.093 0.000 1.930 378 A HA -0.149 4.181 4.320 0.018 0.000 0.217 378 A C 2.171 179.728 177.584 -0.046 0.000 1.175 378 A CA 1.524 53.550 52.037 -0.019 0.000 0.627 378 A CB -0.476 18.530 19.000 0.010 0.000 0.815 378 A HN 0.524 nan 8.150 nan 0.000 0.443 379 E N -0.835 119.330 120.200 -0.059 0.000 2.072 379 E HA -0.183 4.178 4.350 0.018 0.000 0.191 379 E C 1.915 178.475 176.600 -0.066 0.000 0.985 379 E CA 1.087 57.452 56.400 -0.059 0.000 0.801 379 E CB -0.574 29.086 29.700 -0.066 0.000 0.750 379 E HN 0.842 nan 8.360 nan 0.000 0.452 380 H N 1.430 120.402 119.070 -0.163 0.000 2.319 380 H HA -0.073 4.495 4.556 0.020 0.000 0.299 380 H C 2.129 177.362 175.328 -0.158 0.000 1.092 380 H CA 1.661 57.609 56.048 -0.167 0.000 1.302 380 H CB 0.211 29.850 29.762 -0.204 0.000 1.373 380 H HN 0.024 nan 8.280 nan 0.000 0.497 381 R N -0.194 120.180 120.500 -0.210 0.000 2.105 381 R HA -0.109 4.242 4.340 0.018 0.000 0.239 381 R C 2.584 178.771 176.300 -0.190 0.000 1.135 381 R CA 1.189 57.151 56.100 -0.231 0.000 0.967 381 R CB 0.042 30.217 30.300 -0.208 0.000 0.861 381 R HN 0.290 nan 8.270 nan 0.000 0.442 382 R N 0.267 120.683 120.500 -0.141 0.000 2.096 382 R HA -0.070 4.280 4.340 0.018 0.000 0.235 382 R C 2.294 178.517 176.300 -0.129 0.000 1.127 382 R CA 1.655 57.692 56.100 -0.105 0.000 0.968 382 R CB -0.925 29.334 30.300 -0.069 0.000 0.861 382 R HN 0.313 nan 8.270 nan 0.000 0.440 383 S N 0.594 116.186 115.700 -0.180 0.000 2.474 383 S HA -0.023 4.457 4.470 0.018 0.000 0.235 383 S C 1.831 176.314 174.600 -0.194 0.000 0.997 383 S CA 0.676 58.766 58.200 -0.184 0.000 0.949 383 S CB -0.276 62.802 63.200 -0.205 0.000 0.766 383 S HN 0.278 nan 8.310 nan 0.000 0.517 384 L N 0.686 121.774 121.223 -0.225 0.000 2.592 384 L HA 0.359 4.710 4.340 0.018 0.000 0.227 384 L C 1.719 178.526 176.870 -0.105 0.000 1.127 384 L CA 0.267 55.007 54.840 -0.167 0.000 0.884 384 L CB -0.531 41.422 42.059 -0.176 0.000 1.065 384 L HN 0.556 nan 8.230 nan 0.000 0.457 385 G N 0.857 109.598 108.800 -0.098 0.000 2.147 385 G HA2 -0.258 3.713 3.960 0.018 0.000 0.244 385 G HA3 -0.258 3.713 3.960 0.018 0.000 0.244 385 G C 0.016 174.878 174.900 -0.064 0.000 1.005 385 G CA -0.078 44.981 45.100 -0.068 0.000 0.713 385 G HN 0.230 nan 8.290 nan 0.000 0.515 386 L N 0.061 121.235 121.223 -0.081 0.000 2.344 386 L HA 0.653 5.004 4.340 0.018 0.000 0.272 386 L C 1.094 177.923 176.870 -0.069 0.000 1.035 386 L CA -0.737 54.054 54.840 -0.082 0.000 0.807 386 L CB 1.726 43.718 42.059 -0.112 0.000 1.237 386 L HN 0.166 nan 8.230 nan 0.000 0.442 387 T N 1.261 115.787 114.554 -0.046 0.000 2.919 387 T HA 0.623 4.983 4.350 0.018 0.000 0.302 387 T C -0.375 174.332 174.700 0.012 0.000 1.031 387 T CA -0.134 61.961 62.100 -0.009 0.000 1.127 387 T CB 0.534 69.413 68.868 0.018 0.000 0.952 387 T HN 0.763 nan 8.240 nan 0.000 0.540 388 A N 2.981 125.827 122.820 0.043 0.000 2.599 388 A HA 0.646 4.976 4.320 0.018 0.000 0.294 388 A C -0.945 176.682 177.584 0.073 0.000 1.055 388 A CA -0.763 51.350 52.037 0.126 0.000 0.683 388 A CB 1.452 20.519 19.000 0.111 0.000 1.278 388 A HN 0.749 nan 8.150 nan 0.000 0.412 389 S N 0.016 115.759 115.700 0.073 0.000 2.540 389 S HA 0.793 5.273 4.470 0.018 0.000 0.275 389 S C -0.714 173.897 174.600 0.019 0.000 1.123 389 S CA -0.403 57.812 58.200 0.025 0.000 0.907 389 S CB 1.926 65.129 63.200 0.005 0.000 1.081 389 S HN 0.846 nan 8.310 nan 0.000 0.476 390 S N 1.637 117.336 115.700 -0.001 0.000 2.502 390 S HA 0.669 5.150 4.470 0.018 0.000 0.304 390 S C -0.982 173.570 174.600 -0.080 0.000 1.097 390 S CA -0.554 57.634 58.200 -0.020 0.000 1.045 390 S CB 1.222 64.404 63.200 -0.030 0.000 1.019 390 S HN 0.489 nan 8.310 nan 0.000 0.481 391 V N 2.830 122.649 119.914 -0.158 0.000 2.376 391 V HA 0.672 4.803 4.120 0.018 0.000 0.287 391 V C -0.045 175.696 176.094 -0.590 0.000 1.015 391 V CA -0.877 61.168 62.300 -0.425 0.000 0.834 391 V CB 1.209 32.630 31.823 -0.671 0.000 1.001 391 V HN 0.941 nan 8.190 nan 0.000 0.428 392 A N 5.169 127.752 122.820 -0.395 0.000 2.294 392 A HA 0.616 4.947 4.320 0.018 0.000 0.316 392 A C -0.593 176.892 177.584 -0.164 0.000 1.359 392 A CA -0.460 51.406 52.037 -0.284 0.000 0.956 392 A CB 0.046 18.925 19.000 -0.202 0.000 1.155 392 A HN 0.830 nan 8.150 nan 0.000 0.544 393 W N 2.198 123.506 121.300 0.013 0.000 2.202 393 W HA 0.453 5.129 4.660 0.027 0.000 0.332 393 W C 1.132 177.720 176.519 0.117 0.000 1.263 393 W CA 0.132 57.547 57.345 0.118 0.000 1.223 393 W CB 0.996 30.601 29.460 0.241 0.000 1.128 393 W HN 0.855 nan 8.180 nan 0.000 0.573 394 G N 0.668 109.745 108.800 0.461 0.000 2.873 394 G HA2 0.249 4.220 3.960 0.018 0.000 0.170 394 G HA3 0.249 4.220 3.960 0.018 0.000 0.170 394 G C -0.592 174.500 174.900 0.320 0.000 1.608 394 G CA -0.495 44.815 45.100 0.350 0.000 1.084 394 G HN 0.320 nan 8.290 nan 0.000 0.563 395 T N 0.715 115.378 114.554 0.181 0.000 2.780 395 T HA 0.274 4.635 4.350 0.018 0.000 0.294 395 T C -1.040 173.738 174.700 0.129 0.000 0.949 395 T CA 0.027 62.221 62.100 0.158 0.000 1.074 395 T CB 0.769 69.636 68.868 -0.002 0.000 0.910 395 T HN 0.279 nan 8.240 nan 0.000 0.501 396 W N 2.191 123.494 121.300 0.005 0.000 2.315 396 W HA 0.537 5.206 4.660 0.015 0.000 0.316 396 W C 1.170 177.702 176.519 0.021 0.000 1.211 396 W CA -0.271 57.042 57.345 -0.053 0.000 1.201 396 W CB 0.452 29.817 29.460 -0.160 0.000 1.184 396 W HN 0.897 nan 8.180 nan 0.000 0.544 397 G N 1.946 110.802 108.800 0.093 0.000 2.751 397 G HA2 -0.015 3.956 3.960 0.018 0.000 0.142 397 G HA3 -0.015 3.956 3.960 0.018 0.000 0.142 397 G C 0.004 174.967 174.900 0.106 0.000 1.783 397 G CA -0.327 44.821 45.100 0.079 0.000 1.018 397 G HN 0.570 nan 8.290 nan 0.000 0.474 406 E N 1.682 121.907 120.200 0.042 0.000 2.208 406 E HA -0.027 4.333 4.350 0.018 0.000 0.193 406 E C 1.576 178.206 176.600 0.050 0.000 0.988 406 E CA 1.396 57.821 56.400 0.041 0.000 0.828 406 E CB -0.486 29.226 29.700 0.021 0.000 0.763 406 E HN 0.230 nan 8.360 nan 0.000 0.478 407 V N 1.820 121.767 119.914 0.057 0.000 2.346 407 V HA -0.213 3.917 4.120 0.018 0.000 0.244 407 V C 2.676 178.816 176.094 0.078 0.000 1.037 407 V CA 1.753 64.086 62.300 0.055 0.000 1.029 407 V CB -0.955 30.890 31.823 0.036 0.000 0.663 407 V HN 0.410 nan 8.190 nan 0.000 0.454 408 H N 0.912 119.995 119.070 0.022 0.000 2.289 408 H HA -0.225 4.341 4.556 0.018 0.000 0.296 408 H C 2.078 177.426 175.328 0.034 0.000 1.091 408 H CA 2.484 58.552 56.048 0.033 0.000 1.274 408 H CB -0.114 29.662 29.762 0.023 0.000 1.364 408 H HN 0.398 nan 8.280 nan 0.000 0.490 409 D N -0.110 120.373 120.400 0.139 0.000 2.178 409 D HA -0.109 4.541 4.640 0.018 0.000 0.202 409 D C 2.476 178.783 176.300 0.011 0.000 0.974 409 D CA 0.725 54.771 54.000 0.075 0.000 0.841 409 D CB -0.300 40.554 40.800 0.090 0.000 0.953 409 D HN 0.403 nan 8.370 nan 0.000 0.478 410 R N 0.468 120.978 120.500 0.016 0.000 2.073 410 R HA -0.081 4.269 4.340 0.018 0.000 0.234 410 R C 2.057 178.361 176.300 0.006 0.000 1.134 410 R CA 0.826 56.933 56.100 0.012 0.000 0.952 410 R CB -0.254 30.058 30.300 0.021 0.000 0.850 410 R HN 0.108 nan 8.270 nan 0.000 0.433 411 L N 0.752 121.973 121.223 -0.004 0.000 2.017 411 L HA -0.148 4.203 4.340 0.018 0.000 0.208 411 L C 2.529 179.384 176.870 -0.026 0.000 1.073 411 L CA 1.410 56.259 54.840 0.016 0.000 0.745 411 L CB -0.789 41.282 42.059 0.020 0.000 0.894 411 L HN 0.197 nan 8.230 nan 0.000 0.432 412 V N -0.336 119.514 119.914 -0.107 0.000 2.407 412 V HA -0.253 3.878 4.120 0.018 0.000 0.248 412 V C 2.667 178.738 176.094 -0.040 0.000 1.055 412 V CA 1.437 63.681 62.300 -0.094 0.000 1.049 412 V CB -0.611 31.138 31.823 -0.123 0.000 0.662 412 V HN 0.420 nan 8.190 nan 0.000 0.455 413 R N -0.438 120.048 120.500 -0.023 0.000 2.152 413 R HA -0.135 4.216 4.340 0.018 0.000 0.232 413 R C 2.120 178.416 176.300 -0.008 0.000 1.117 413 R CA 1.153 57.247 56.100 -0.011 0.000 0.981 413 R CB -0.128 30.169 30.300 -0.006 0.000 0.870 413 R HN 0.608 nan 8.270 nan 0.000 0.451 414 Q N -1.178 118.625 119.800 0.005 0.000 2.403 414 Q HA 0.078 4.429 4.340 0.018 0.000 0.203 414 Q C 0.625 176.665 176.000 0.067 0.000 0.932 414 Q CA 0.472 56.282 55.803 0.013 0.000 0.945 414 Q CB 0.992 29.750 28.738 0.034 0.000 1.045 414 Q HN 0.535 nan 8.270 nan 0.000 0.511 415 G N 0.252 109.067 108.800 0.025 0.000 2.141 415 G HA2 -0.217 3.754 3.960 0.018 0.000 0.231 415 G HA3 -0.217 3.754 3.960 0.018 0.000 0.231 415 G C 0.045 174.862 174.900 -0.138 0.000 0.984 415 G CA -0.070 45.008 45.100 -0.036 0.000 0.660 415 G HN 0.201 nan 8.290 nan 0.000 0.525 416 V N 2.724 122.595 119.914 -0.071 0.000 2.299 416 V HA 0.429 4.560 4.120 0.018 0.000 0.255 416 V C 1.071 177.099 176.094 -0.110 0.000 1.100 416 V CA -0.269 61.943 62.300 -0.147 0.000 0.938 416 V CB 0.502 32.334 31.823 0.016 0.000 1.139 416 V HN 0.354 nan 8.190 nan 0.000 0.490 417 L N 3.252 124.391 121.223 -0.140 0.000 2.418 417 L HA 0.589 4.940 4.340 0.018 0.000 0.265 417 L C 1.016 177.839 176.870 -0.078 0.000 1.143 417 L CA -0.386 54.394 54.840 -0.099 0.000 0.809 417 L CB 0.777 42.779 42.059 -0.097 0.000 1.124 417 L HN 0.592 nan 8.230 nan 0.000 0.456 418 A N 4.029 126.818 122.820 -0.051 0.000 2.524 418 A HA 0.340 4.670 4.320 0.018 0.000 0.250 418 A C 0.096 177.632 177.584 -0.081 0.000 1.078 418 A CA -0.127 51.894 52.037 -0.026 0.000 0.761 418 A CB -0.081 18.954 19.000 0.059 0.000 1.012 418 A HN 0.704 nan 8.150 nan 0.000 0.500 419 M N 1.589 121.087 119.600 -0.171 0.000 2.250 419 M HA 0.196 4.687 4.480 0.018 0.000 0.344 419 M C 0.470 176.593 176.300 -0.296 0.000 1.150 419 M CA -0.200 54.948 55.300 -0.253 0.000 1.147 419 M CB 0.720 33.063 32.600 -0.428 0.000 1.498 419 M HN 0.819 nan 8.290 nan 0.000 0.461 420 E N 3.189 123.231 120.200 -0.264 0.000 2.366 420 E HA 0.065 4.426 4.350 0.018 0.000 0.266 420 E C -1.993 174.360 176.600 -0.412 0.000 1.015 420 E CA -1.308 54.891 56.400 -0.336 0.000 0.906 420 E CB 0.835 30.200 29.700 -0.559 0.000 0.979 420 E HN 0.236 nan 8.360 nan 0.000 0.443 421 P HA -0.202 nan 4.420 nan 0.000 0.216 421 P C 0.345 177.513 177.300 -0.220 0.000 1.153 421 P CA 1.385 64.278 63.100 -0.345 0.000 0.858 421 P CB 0.203 31.921 31.700 0.030 0.000 0.789 422 E N -1.463 118.644 120.200 -0.155 0.000 2.160 422 E HA -0.220 4.140 4.350 0.018 0.000 0.195 422 E C 1.955 178.574 176.600 0.032 0.000 0.991 422 E CA 1.102 57.470 56.400 -0.055 0.000 0.810 422 E CB -0.618 29.048 29.700 -0.057 0.000 0.742 422 E HN 0.582 nan 8.360 nan 0.000 0.466 423 H N 0.154 119.172 119.070 -0.087 0.000 2.363 423 H HA 0.044 4.611 4.556 0.018 0.000 0.301 423 H C 2.279 177.569 175.328 -0.063 0.000 1.074 423 H CA 0.499 56.515 56.048 -0.054 0.000 1.354 423 H CB 0.111 29.844 29.762 -0.050 0.000 1.397 423 H HN 0.160 nan 8.280 nan 0.000 0.516 424 A N 1.175 123.943 122.820 -0.086 0.000 1.908 424 A HA -0.156 4.175 4.320 0.018 0.000 0.218 424 A C 2.308 179.981 177.584 0.149 0.000 1.181 424 A CA 1.274 53.236 52.037 -0.125 0.000 0.627 424 A CB -0.749 17.721 19.000 -0.884 0.000 0.818 424 A HN 0.291 nan 8.150 nan 0.000 0.445 425 L N -0.956 120.332 121.223 0.108 0.000 2.156 425 L HA -0.062 4.289 4.340 0.018 0.000 0.208 425 L C 2.792 179.784 176.870 0.203 0.000 1.095 425 L CA 0.821 55.807 54.840 0.243 0.000 0.770 425 L CB -0.659 41.517 42.059 0.195 0.000 0.914 425 L HN 0.504 nan 8.230 nan 0.000 0.439 426 G N -0.349 108.541 108.800 0.150 0.000 2.422 426 G HA2 -0.239 3.732 3.960 0.018 0.000 0.218 426 G HA3 -0.239 3.732 3.960 0.018 0.000 0.218 426 G C 1.760 176.732 174.900 0.121 0.000 1.146 426 G CA 0.790 45.967 45.100 0.127 0.000 0.769 426 G HN 0.454 nan 8.290 nan 0.000 0.547 427 A N 0.426 123.327 122.820 0.135 0.000 1.898 427 A HA 0.107 4.438 4.320 0.018 0.000 0.216 427 A C 2.329 179.998 177.584 0.142 0.000 1.181 427 A CA 1.589 53.698 52.037 0.120 0.000 0.620 427 A CB -0.437 18.642 19.000 0.132 0.000 0.819 427 A HN 0.436 nan 8.150 nan 0.000 0.442 428 L N 0.278 121.635 121.223 0.222 0.000 2.042 428 L HA -0.187 4.164 4.340 0.018 0.000 0.210 428 L C 1.548 178.531 176.870 0.188 0.000 1.076 428 L CA 2.537 57.506 54.840 0.215 0.000 0.749 428 L CB -0.742 41.541 42.059 0.373 0.000 0.893 428 L HN 0.328 nan 8.230 nan 0.000 0.432 429 D N -0.755 119.756 120.400 0.185 0.000 2.149 429 D HA -0.208 4.443 4.640 0.018 0.000 0.198 429 D C 2.205 178.571 176.300 0.109 0.000 0.990 429 D CA 1.239 55.330 54.000 0.152 0.000 0.839 429 D CB -0.070 40.809 40.800 0.131 0.000 0.948 429 D HN 0.561 nan 8.370 nan 0.000 0.460 430 Q N -0.250 119.603 119.800 0.088 0.000 2.084 430 Q HA -0.106 4.244 4.340 0.018 0.000 0.202 430 Q C 2.235 178.263 176.000 0.046 0.000 0.978 430 Q CA 0.821 56.656 55.803 0.054 0.000 0.844 430 Q CB -0.125 28.635 28.738 0.036 0.000 0.898 430 Q HN 0.322 nan 8.270 nan 0.000 0.426 431 M N 0.536 120.168 119.600 0.054 0.000 2.080 431 M HA -0.205 4.285 4.480 0.018 0.000 0.260 431 M C 1.819 178.150 176.300 0.052 0.000 1.068 431 M CA 1.565 56.888 55.300 0.039 0.000 1.109 431 M CB 0.035 32.655 32.600 0.033 0.000 1.342 431 M HN 0.214 nan 8.290 nan 0.000 0.405 432 L N -0.289 120.987 121.223 0.087 0.000 2.109 432 L HA -0.150 4.200 4.340 0.018 0.000 0.207 432 L C 2.454 179.370 176.870 0.077 0.000 1.086 432 L CA 0.753 55.650 54.840 0.096 0.000 0.760 432 L CB -0.765 41.386 42.059 0.153 0.000 0.910 432 L HN 0.277 nan 8.230 nan 0.000 0.437 433 E N 0.479 120.723 120.200 0.073 0.000 2.153 433 E HA -0.187 4.173 4.350 0.018 0.000 0.194 433 E C 1.566 178.188 176.600 0.036 0.000 0.988 433 E CA 1.129 57.562 56.400 0.055 0.000 0.811 433 E CB -0.394 29.336 29.700 0.050 0.000 0.746 433 E HN 0.644 nan 8.360 nan 0.000 0.466 434 N N 0.943 119.659 118.700 0.027 0.000 2.463 434 N HA -0.095 4.655 4.740 0.018 0.000 0.181 434 N C -0.124 175.394 175.510 0.013 0.000 1.078 434 N CA 0.262 53.319 53.050 0.012 0.000 0.902 434 N CB 0.132 38.616 38.487 -0.006 0.000 0.970 434 N HN -0.044 nan 8.380 nan 0.000 0.451 435 D N 1.342 121.757 120.400 0.025 0.000 2.686 435 D HA -0.160 4.491 4.640 0.018 0.000 0.235 435 D C -1.260 175.049 176.300 0.015 0.000 1.160 435 D CA 0.656 54.670 54.000 0.024 0.000 0.645 435 D CB -0.958 39.856 40.800 0.022 0.000 1.039 435 D HN 0.207 nan 8.370 nan 0.000 0.423 436 D N -0.970 119.437 120.400 0.011 0.000 2.339 436 D HA 0.165 4.815 4.640 0.018 0.000 0.245 436 D C 1.405 177.715 176.300 0.015 0.000 1.115 436 D CA 0.067 54.070 54.000 0.006 0.000 0.917 436 D CB 1.056 41.852 40.800 -0.008 0.000 1.192 436 D HN 0.087 nan 8.370 nan 0.000 0.428 437 T N -0.027 114.540 114.554 0.021 0.000 3.009 437 T HA 0.242 4.602 4.350 0.018 0.000 0.258 437 T C 0.549 175.261 174.700 0.020 0.000 1.063 437 T CA 0.457 62.569 62.100 0.019 0.000 1.139 437 T CB 0.328 69.206 68.868 0.017 0.000 0.890 437 T HN 0.527 nan 8.240 nan 0.000 0.471 438 A N 0.205 123.046 122.820 0.036 0.000 2.515 438 A HA 0.883 5.214 4.320 0.018 0.000 0.298 438 A C -1.242 176.374 177.584 0.053 0.000 1.059 438 A CA -0.480 51.577 52.037 0.033 0.000 0.698 438 A CB 1.515 20.543 19.000 0.047 0.000 1.289 438 A HN 0.447 nan 8.150 nan 0.000 0.404 439 A N 0.033 122.867 122.820 0.023 0.000 2.612 439 A HA 0.923 5.254 4.320 0.018 0.000 0.293 439 A C -0.547 177.052 177.584 0.025 0.000 1.075 439 A CA 0.040 52.113 52.037 0.060 0.000 0.680 439 A CB 0.853 19.867 19.000 0.024 0.000 1.279 439 A HN 2.540 nan 8.150 nan 0.000 0.411 440 A N 0.570 123.465 122.820 0.126 0.000 2.324 440 A HA 0.792 5.122 4.320 0.018 0.000 0.330 440 A C -0.744 176.973 177.584 0.223 0.000 1.165 440 A CA -0.379 51.740 52.037 0.137 0.000 0.813 440 A CB 0.404 19.559 19.000 0.259 0.000 1.197 440 A HN 0.788 nan 8.150 nan 0.000 0.484 441 I N 2.069 122.748 120.570 0.180 0.000 2.420 441 I HA 0.459 4.639 4.170 0.018 0.000 0.282 441 I C -0.161 176.152 176.117 0.326 0.000 1.019 441 I CA -0.009 61.445 61.300 0.256 0.000 1.130 441 I CB 1.807 39.943 38.000 0.226 0.000 1.262 441 I HN 0.643 nan 8.210 nan 0.000 0.454 442 T N 6.310 121.036 114.554 0.287 0.000 3.012 442 T HA 0.425 4.785 4.350 0.018 0.000 0.330 442 T C -1.638 173.116 174.700 0.090 0.000 1.321 442 T CA -0.452 61.750 62.100 0.170 0.000 1.067 442 T CB 1.580 70.542 68.868 0.157 0.000 1.235 442 T HN 0.312 nan 8.240 nan 0.000 0.479 443 L N 5.855 127.066 121.223 -0.020 0.000 2.265 443 L HA 0.711 5.062 4.340 0.018 0.000 0.288 443 L C -0.789 175.940 176.870 -0.236 0.000 1.058 443 L CA -0.091 54.706 54.840 -0.071 0.000 0.809 443 L CB 0.599 42.621 42.059 -0.061 0.000 1.179 443 L HN 0.623 nan 8.230 nan 0.000 0.429 444 M N 3.937 123.324 119.600 -0.356 0.000 2.383 444 M HA 0.314 4.805 4.480 0.018 0.000 0.325 444 M C -0.881 175.081 176.300 -0.563 0.000 1.092 444 M CA -0.607 54.224 55.300 -0.782 0.000 0.961 444 M CB 1.481 33.064 32.600 -1.695 0.000 1.672 444 M HN 0.499 nan 8.290 nan 0.000 0.438 445 D N 1.666 121.795 120.400 -0.452 0.000 2.456 445 D HA 0.188 4.839 4.640 0.018 0.000 0.219 445 D C 0.338 176.501 176.300 -0.228 0.000 1.126 445 D CA -0.164 53.696 54.000 -0.234 0.000 0.890 445 D CB 0.412 41.144 40.800 -0.113 0.000 1.025 445 D HN 0.520 nan 8.370 nan 0.000 0.511 446 W N 2.218 123.504 121.300 -0.022 0.000 2.392 446 W HA -0.074 4.595 4.660 0.016 0.000 0.279 446 W C 1.984 178.528 176.519 0.042 0.000 1.225 446 W CA -0.015 57.332 57.345 0.004 0.000 1.233 446 W CB 0.250 29.700 29.460 -0.018 0.000 1.122 446 W HN 0.413 nan 8.180 nan 0.000 0.561 447 E N -0.423 119.904 120.200 0.211 0.000 2.153 447 E HA -0.182 4.178 4.350 0.018 0.000 0.194 447 E C 2.076 178.732 176.600 0.093 0.000 0.988 447 E CA 1.102 57.582 56.400 0.133 0.000 0.811 447 E CB -0.326 29.426 29.700 0.086 0.000 0.746 447 E HN 0.309 nan 8.360 nan 0.000 0.466 448 M N -0.904 118.735 119.600 0.066 0.000 2.357 448 M HA 0.021 4.512 4.480 0.018 0.000 0.266 448 M C 2.058 178.383 176.300 0.042 0.000 1.095 448 M CA 0.549 55.870 55.300 0.036 0.000 1.156 448 M CB -0.740 31.864 32.600 0.007 0.000 1.365 448 M HN 0.029 nan 8.290 nan 0.000 0.447 449 F N 1.247 121.135 119.950 -0.104 0.000 2.098 449 F HA -0.026 4.512 4.527 0.019 0.000 0.294 449 F C 2.351 178.159 175.800 0.014 0.000 1.107 449 F CA 1.675 59.586 58.000 -0.148 0.000 1.234 449 F CB -0.357 38.355 39.000 -0.479 0.000 1.002 449 F HN 0.112 nan 8.300 nan 0.000 0.472 450 A N 0.701 123.712 122.820 0.317 0.000 1.892 450 A HA -0.159 4.172 4.320 0.018 0.000 0.218 450 A C -0.215 177.429 177.584 0.101 0.000 1.188 450 A CA 2.173 54.368 52.037 0.264 0.000 0.631 450 A CB -2.204 16.982 19.000 0.310 0.000 0.822 450 A HN 0.371 nan 8.150 nan 0.000 0.447 451 P HA -0.061 nan 4.420 nan 0.000 0.217 451 P C 1.726 179.010 177.300 -0.027 0.000 1.150 451 P CA 1.781 64.894 63.100 0.022 0.000 0.832 451 P CB -0.077 31.637 31.700 0.023 0.000 0.787 452 A N -1.113 121.663 122.820 -0.074 0.000 1.873 452 A HA -0.184 4.146 4.320 0.018 0.000 0.215 452 A C 2.080 179.577 177.584 -0.144 0.000 1.186 452 A CA 1.293 53.260 52.037 -0.116 0.000 0.616 452 A CB -1.829 17.083 19.000 -0.146 0.000 0.823 452 A HN 0.146 nan 8.150 nan 0.000 0.442 453 F N 1.644 121.346 119.950 -0.413 0.000 2.293 453 F HA -0.079 4.460 4.527 0.019 0.000 0.300 453 F C 2.196 177.885 175.800 -0.186 0.000 1.086 453 F CA 1.976 59.728 58.000 -0.413 0.000 1.375 453 F CB 0.006 38.586 39.000 -0.701 0.000 1.045 453 F HN 0.287 nan 8.300 nan 0.000 0.516 454 T N -2.692 111.849 114.554 -0.022 0.000 3.134 454 T HA 0.440 4.800 4.350 0.018 0.000 0.260 454 T C 1.723 176.387 174.700 -0.059 0.000 1.027 454 T CA 0.247 62.327 62.100 -0.033 0.000 0.913 454 T CB -0.122 68.789 68.868 0.073 0.000 1.046 454 T HN 0.150 nan 8.240 nan 0.000 0.553 455 A N 2.788 125.557 122.820 -0.085 0.000 1.933 455 A HA -0.042 4.288 4.320 0.018 0.000 0.218 455 A C 2.259 179.805 177.584 -0.063 0.000 1.175 455 A CA 1.189 53.188 52.037 -0.063 0.000 0.628 455 A CB -0.396 18.562 19.000 -0.070 0.000 0.814 455 A HN 0.546 nan 8.150 nan 0.000 0.444 456 N N -1.380 117.266 118.700 -0.091 0.000 2.356 456 N HA 0.086 4.836 4.740 0.018 0.000 0.178 456 N C 0.483 175.955 175.510 -0.064 0.000 1.075 456 N CA 0.371 53.376 53.050 -0.076 0.000 0.889 456 N CB 0.441 38.873 38.487 -0.093 0.000 0.999 456 N HN 0.646 nan 8.380 nan 0.000 0.464 457 R N 0.784 121.238 120.500 -0.076 0.000 2.579 457 R HA 0.277 4.627 4.340 0.018 0.000 0.260 457 R C -3.134 173.144 176.300 -0.037 0.000 1.103 457 R CA -0.991 55.077 56.100 -0.052 0.000 0.942 457 R CB 1.998 32.263 30.300 -0.058 0.000 1.251 457 R HN -0.191 nan 8.270 nan 0.000 0.450 458 P HA 0.128 nan 4.420 nan 0.000 0.276 458 P C -1.096 176.240 177.300 0.060 0.000 1.252 458 P CA -0.446 62.673 63.100 0.032 0.000 0.802 458 P CB 1.384 33.106 31.700 0.038 0.000 1.035 459 S N -0.404 115.364 115.700 0.113 0.000 2.659 459 S HA 0.524 5.004 4.470 0.018 0.000 0.312 459 S C 0.826 175.507 174.600 0.134 0.000 1.114 459 S CA -0.366 57.944 58.200 0.182 0.000 1.063 459 S CB 0.413 63.844 63.200 0.385 0.000 0.996 459 S HN 0.439 nan 8.310 nan 0.000 0.478 460 A N 4.739 127.626 122.820 0.111 0.000 2.067 460 A HA 0.110 4.441 4.320 0.018 0.000 0.217 460 A C 1.825 179.441 177.584 0.053 0.000 1.156 460 A CA 0.674 52.755 52.037 0.073 0.000 0.683 460 A CB -0.558 18.485 19.000 0.073 0.000 0.808 460 A HN 0.840 nan 8.150 nan 0.000 0.455 461 L N -0.260 121.016 121.223 0.088 0.000 2.051 461 L HA -0.148 4.203 4.340 0.018 0.000 0.214 461 L C 1.857 178.719 176.870 -0.013 0.000 1.076 461 L CA 1.885 56.752 54.840 0.046 0.000 0.758 461 L CB -0.244 41.896 42.059 0.135 0.000 0.890 461 L HN 0.418 nan 8.230 nan 0.000 0.433 462 L N -0.998 120.230 121.223 0.008 0.000 2.592 462 L HA 0.074 4.425 4.340 0.018 0.000 0.227 462 L C 2.175 178.967 176.870 -0.131 0.000 1.127 462 L CA 0.603 55.380 54.840 -0.105 0.000 0.884 462 L CB -0.478 41.551 42.059 -0.051 0.000 1.065 462 L HN 0.373 nan 8.230 nan 0.000 0.457 463 S N -1.437 114.222 115.700 -0.067 0.000 2.474 463 S HA -0.121 4.359 4.470 0.018 0.000 0.235 463 S C 1.613 176.160 174.600 -0.088 0.000 0.997 463 S CA 1.181 59.344 58.200 -0.061 0.000 0.949 463 S CB -0.654 62.533 63.200 -0.022 0.000 0.766 463 S HN 0.510 nan 8.310 nan 0.000 0.517 464 T N -0.518 113.967 114.554 -0.114 0.000 3.206 464 T HA 0.430 4.791 4.350 0.018 0.000 0.253 464 T C 0.066 174.668 174.700 -0.163 0.000 1.042 464 T CA -0.426 61.608 62.100 -0.109 0.000 0.931 464 T CB -0.016 68.796 68.868 -0.092 0.000 1.029 464 T HN 0.163 nan 8.240 nan 0.000 0.564 465 V N 3.359 123.106 119.914 -0.279 0.000 2.313 465 V HA 0.298 4.429 4.120 0.018 0.000 0.278 465 V C -1.685 174.210 176.094 -0.333 0.000 1.017 465 V CA -1.845 60.192 62.300 -0.439 0.000 0.823 465 V CB 1.696 32.944 31.823 -0.958 0.000 1.010 465 V HN 0.068 nan 8.190 nan 0.000 0.443 466 P HA -0.084 nan 4.420 nan 0.000 0.220 466 P C 1.232 178.456 177.300 -0.127 0.000 1.148 466 P CA 0.896 63.931 63.100 -0.107 0.000 0.803 466 P CB 0.478 32.154 31.700 -0.040 0.000 0.782 467 E N -0.325 119.766 120.200 -0.182 0.000 2.153 467 E HA -0.113 4.247 4.350 0.018 0.000 0.194 467 E C 2.075 178.606 176.600 -0.114 0.000 0.988 467 E CA 1.393 57.723 56.400 -0.116 0.000 0.811 467 E CB -0.841 28.830 29.700 -0.048 0.000 0.746 467 E HN 0.185 nan 8.360 nan 0.000 0.466 468 A N 0.400 123.023 122.820 -0.329 0.000 1.897 468 A HA -0.086 4.244 4.320 0.018 0.000 0.215 468 A C 2.425 179.973 177.584 -0.060 0.000 1.181 468 A CA 0.935 52.881 52.037 -0.153 0.000 0.620 468 A CB -0.582 18.223 19.000 -0.325 0.000 0.821 468 A HN 0.131 nan 8.150 nan 0.000 0.443 469 V N 0.344 120.198 119.914 -0.100 0.000 2.255 469 V HA -0.272 3.859 4.120 0.018 0.000 0.247 469 V C 2.797 178.881 176.094 -0.015 0.000 1.051 469 V CA 2.472 64.745 62.300 -0.046 0.000 1.018 469 V CB -1.053 30.738 31.823 -0.054 0.000 0.641 469 V HN 0.560 nan 8.190 nan 0.000 0.445 470 S N 0.413 116.103 115.700 -0.017 0.000 2.374 470 S HA -0.235 4.245 4.470 0.018 0.000 0.227 470 S C 2.186 176.803 174.600 0.027 0.000 1.037 470 S CA 1.556 59.760 58.200 0.007 0.000 1.024 470 S CB -0.613 62.592 63.200 0.008 0.000 0.861 470 S HN 0.682 nan 8.310 nan 0.000 0.456 471 A N 0.972 123.820 122.820 0.048 0.000 2.019 471 A HA 0.078 4.408 4.320 0.018 0.000 0.219 471 A C 1.957 179.574 177.584 0.054 0.000 1.164 471 A CA 0.972 53.050 52.037 0.069 0.000 0.644 471 A CB -0.509 18.566 19.000 0.125 0.000 0.805 471 A HN 0.482 nan 8.150 nan 0.000 0.449 472 L N -1.601 119.648 121.223 0.044 0.000 2.509 472 L HA 0.167 4.518 4.340 0.018 0.000 0.222 472 L C 0.541 177.426 176.870 0.025 0.000 1.123 472 L CA 0.316 55.179 54.840 0.037 0.000 0.856 472 L CB -0.079 42.002 42.059 0.038 0.000 0.985 472 L HN 0.390 nan 8.230 nan 0.000 0.456 473 S N 0.000 115.713 115.700 0.021 0.000 2.498 473 S HA 0.000 4.481 4.470 0.018 0.000 0.327 473 S CA 0.000 58.209 58.200 0.016 0.000 1.107 473 S CB 0.000 63.208 63.200 0.014 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517