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 2cv9_1_A DATA FIRST_RESID 2 DATA SEQUENCE RVLFIGDVXA EPGLRAVGLH LPDIRDRYDL VIANGENAAR GKGLDRRSYR DATA SEQUENCE LLREAGVDLV SLGNHAWDHK EVYALLESEP VVRPLNYPPG TPGKGFWRLE DATA SEQUENCE VGGESLLFVQ VXGRIFXDPL DDPFRALDRL LEEEKADYVL VEVHAEATSE DATA SEQUENCE KXALAHYLDG RASAVLGTHT HVPTLDATRL PKGTLYQTDV GXTGTYHSII DATA SEQUENCE GGEVETFLAR FLTGRPQPFR AAQGKARFHA TELVFEGGRP VAISPYVWEE DATA SEQUENCE P 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.309 176.300 0.015 0.000 0.893 2 R CA 0.000 56.079 56.100 -0.035 0.000 0.921 2 R CB 0.000 30.320 30.300 0.034 0.000 0.687 3 V N 3.835 123.674 119.914 -0.124 0.000 2.628 3 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 3 V C -0.317 175.651 176.094 -0.209 0.000 1.045 3 V CA -0.875 61.349 62.300 -0.126 0.000 0.905 3 V CB 2.138 33.884 31.823 -0.128 0.000 0.997 3 V HN 0.556 nan 8.190 nan 0.000 0.436 4 L N 4.602 125.625 121.223 -0.332 0.000 2.319 4 L HA 0.572 4.912 4.340 -0.000 0.000 0.281 4 L C -1.621 175.116 176.870 -0.221 0.000 1.005 4 L CA -0.473 54.086 54.840 -0.468 0.000 0.828 4 L CB 1.418 42.859 42.059 -1.029 0.000 1.227 4 L HN 0.708 nan 8.230 nan 0.000 0.415 5 F N 6.495 126.321 119.950 -0.206 0.000 2.361 5 F HA 0.481 5.008 4.527 -0.000 0.000 0.364 5 F C -0.140 175.577 175.800 -0.139 0.000 1.117 5 F CA -0.707 57.209 58.000 -0.140 0.000 1.071 5 F CB 0.811 39.784 39.000 -0.045 0.000 1.188 5 F HN 0.253 nan 8.300 nan 0.000 0.464 6 I N 6.128 126.494 120.570 -0.341 0.000 2.352 6 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 6 I C 1.058 177.098 176.117 -0.127 0.000 1.036 6 I CA -0.445 60.685 61.300 -0.283 0.000 1.336 6 I CB 0.522 38.282 38.000 -0.401 0.000 1.407 6 I HN 0.720 nan 8.210 nan 0.000 0.497 7 G N 4.048 112.908 108.800 0.100 0.000 2.544 7 G HA2 0.062 4.022 3.960 -0.000 0.000 0.242 7 G HA3 0.062 4.022 3.960 -0.000 0.000 0.242 7 G C -0.268 174.700 174.900 0.113 0.000 1.247 7 G CA -0.554 44.689 45.100 0.239 0.000 0.840 7 G HN 0.708 nan 8.290 nan 0.000 0.578 8 D N 0.183 120.701 120.400 0.195 0.000 7.447 8 D HA -0.097 4.543 4.640 -0.000 0.000 0.144 8 D C 1.059 177.371 176.300 0.019 0.000 1.224 8 D CA 0.472 54.560 54.000 0.147 0.000 0.817 8 D CB -0.207 40.764 40.800 0.285 0.000 1.592 8 D HN 0.111 nan 8.370 nan 0.000 0.920 12 E N 0.766 120.993 120.200 0.044 0.000 2.085 12 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 12 E C -1.219 175.409 176.600 0.046 0.000 0.994 12 E CA 2.460 58.884 56.400 0.040 0.000 0.801 12 E CB -1.368 28.356 29.700 0.041 0.000 0.743 12 E HN 0.455 nan 8.360 nan 0.000 0.453 13 P HA -0.125 nan 4.420 nan 0.000 0.215 13 P C 1.552 178.898 177.300 0.077 0.000 1.157 13 P CA 1.939 65.077 63.100 0.063 0.000 0.868 13 P CB -0.259 31.470 31.700 0.048 0.000 0.788 14 G N 0.182 109.011 108.800 0.047 0.000 2.459 14 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 14 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 14 G C 1.419 176.359 174.900 0.068 0.000 1.183 14 G CA 0.641 45.771 45.100 0.049 0.000 0.776 14 G HN 0.117 nan 8.290 nan 0.000 0.552 15 L N 0.772 122.020 121.223 0.042 0.000 2.013 15 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 15 L C 2.792 179.698 176.870 0.060 0.000 1.073 15 L CA 1.731 56.591 54.840 0.033 0.000 0.753 15 L CB -1.082 40.985 42.059 0.015 0.000 0.890 15 L HN 0.269 nan 8.230 nan 0.000 0.432 16 R N -0.719 119.826 120.500 0.076 0.000 2.083 16 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 16 R C 2.139 178.527 176.300 0.147 0.000 1.137 16 R CA 1.669 57.826 56.100 0.094 0.000 0.951 16 R CB -0.190 30.170 30.300 0.100 0.000 0.851 16 R HN 0.373 nan 8.270 nan 0.000 0.434 17 A N 0.215 123.164 122.820 0.215 0.000 1.908 17 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 17 A C 2.298 180.071 177.584 0.315 0.000 1.181 17 A CA 1.815 54.068 52.037 0.359 0.000 0.627 17 A CB -0.574 18.691 19.000 0.441 0.000 0.818 17 A HN 0.249 nan 8.150 nan 0.000 0.445 18 V N -0.213 119.865 119.914 0.274 0.000 2.358 18 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 18 V C 2.817 178.944 176.094 0.055 0.000 1.047 18 V CA 1.841 64.292 62.300 0.252 0.000 1.035 18 V CB -1.489 30.420 31.823 0.144 0.000 0.658 18 V HN 0.607 nan 8.190 nan 0.000 0.452 19 G N -0.114 108.703 108.800 0.028 0.000 2.422 19 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.218 19 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.218 19 G C 1.462 176.327 174.900 -0.058 0.000 1.146 19 G CA 0.919 46.004 45.100 -0.025 0.000 0.769 19 G HN 0.398 nan 8.290 nan 0.000 0.547 20 L N -0.771 120.428 121.223 -0.039 0.000 2.095 20 L HA 0.141 4.481 4.340 -0.000 0.000 0.204 20 L C 2.375 179.093 176.870 -0.253 0.000 1.080 20 L CA 1.395 56.188 54.840 -0.079 0.000 0.759 20 L CB -0.860 41.221 42.059 0.037 0.000 0.914 20 L HN 0.343 nan 8.230 nan 0.000 0.439 21 H N -1.415 117.313 119.070 -0.571 0.000 2.388 21 H HA -0.004 4.551 4.556 -0.000 0.000 0.304 21 H C 2.155 177.062 175.328 -0.702 0.000 1.049 21 H CA 0.665 56.138 56.048 -0.958 0.000 1.371 21 H CB 0.459 29.190 29.762 -1.719 0.000 1.436 21 H HN 0.121 nan 8.280 nan 0.000 0.544 22 L N 1.934 122.801 121.223 -0.593 0.000 2.051 22 L HA -0.111 4.229 4.340 -0.000 0.000 0.214 22 L C -1.002 175.637 176.870 -0.385 0.000 1.076 22 L CA 1.739 56.300 54.840 -0.465 0.000 0.758 22 L CB -1.183 40.778 42.059 -0.164 0.000 0.890 22 L HN 0.199 nan 8.230 nan 0.000 0.433 23 P HA -0.133 nan 4.420 nan 0.000 0.216 23 P C 0.965 178.104 177.300 -0.267 0.000 1.150 23 P CA 1.582 64.543 63.100 -0.232 0.000 0.837 23 P CB -0.070 31.522 31.700 -0.180 0.000 0.786 24 D N -1.089 119.084 120.400 -0.378 0.000 2.219 24 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 24 D C 1.590 177.676 176.300 -0.357 0.000 0.970 24 D CA 0.931 54.717 54.000 -0.357 0.000 0.851 24 D CB -0.184 40.371 40.800 -0.409 0.000 0.943 24 D HN 0.269 nan 8.370 nan 0.000 0.488 25 I N -2.114 118.190 120.570 -0.444 0.000 4.227 25 I HA 0.254 4.424 4.170 -0.000 0.000 0.334 25 I C 1.838 177.858 176.117 -0.162 0.000 1.341 25 I CA -0.037 61.077 61.300 -0.309 0.000 1.123 25 I CB -0.072 37.719 38.000 -0.348 0.000 1.097 25 I HN -0.256 nan 8.210 nan 0.000 0.399 26 R N 2.824 123.238 120.500 -0.144 0.000 2.134 26 R HA -0.240 4.100 4.340 -0.000 0.000 0.248 26 R C 1.430 177.701 176.300 -0.047 0.000 1.143 26 R CA 2.636 58.715 56.100 -0.036 0.000 0.957 26 R CB -0.809 29.439 30.300 -0.087 0.000 0.867 26 R HN 0.357 nan 8.270 nan 0.000 0.441 27 D N -0.303 120.024 120.400 -0.121 0.000 2.315 27 D HA -0.160 4.480 4.640 -0.000 0.000 0.211 27 D C 1.410 177.580 176.300 -0.216 0.000 0.977 27 D CA 1.072 54.990 54.000 -0.136 0.000 0.894 27 D CB -0.161 40.562 40.800 -0.127 0.000 0.910 27 D HN 0.407 nan 8.370 nan 0.000 0.490 28 R N -0.890 119.377 120.500 -0.389 0.000 2.313 28 R HA 0.084 4.424 4.340 -0.000 0.000 0.199 28 R C -0.082 175.657 176.300 -0.935 0.000 0.958 28 R CA 0.269 55.945 56.100 -0.708 0.000 1.047 28 R CB 0.198 29.900 30.300 -0.995 0.000 0.955 28 R HN 0.252 nan 8.270 nan 0.000 0.481 29 Y N -1.472 118.764 120.300 -0.107 0.000 2.581 29 Y HA 0.237 4.786 4.550 -0.000 0.000 0.345 29 Y C 0.541 176.395 175.900 -0.077 0.000 1.036 29 Y CA -1.287 56.754 58.100 -0.099 0.000 1.042 29 Y CB 1.350 39.739 38.460 -0.117 0.000 1.289 29 Y HN -0.245 nan 8.280 nan 0.000 0.471 30 D N 0.369 120.829 120.400 0.100 0.000 2.277 30 D HA 0.129 4.768 4.640 -0.000 0.000 0.209 30 D C -0.411 175.920 176.300 0.050 0.000 0.970 30 D CA 1.186 55.218 54.000 0.054 0.000 0.874 30 D CB 0.703 41.533 40.800 0.051 0.000 0.982 30 D HN 0.095 nan 8.370 nan 0.000 0.504 31 L N 0.575 121.828 121.223 0.050 0.000 2.431 31 L HA 0.402 4.742 4.340 -0.000 0.000 0.266 31 L C -0.821 176.001 176.870 -0.079 0.000 0.978 31 L CA -1.022 53.817 54.840 -0.003 0.000 0.822 31 L CB 2.535 44.608 42.059 0.023 0.000 1.310 31 L HN -0.347 nan 8.230 nan 0.000 0.409 32 V N 4.666 124.498 119.914 -0.136 0.000 2.531 32 V HA 0.582 4.702 4.120 -0.000 0.000 0.301 32 V C -0.333 175.588 176.094 -0.289 0.000 1.034 32 V CA -0.435 61.729 62.300 -0.228 0.000 0.865 32 V CB 2.168 33.862 31.823 -0.216 0.000 0.995 32 V HN 0.529 nan 8.190 nan 0.000 0.424 33 I N 3.851 124.191 120.570 -0.383 0.000 2.569 33 I HA 0.884 5.054 4.170 -0.000 0.000 0.296 33 I C -0.033 175.600 176.117 -0.806 0.000 1.028 33 I CA -0.702 60.248 61.300 -0.583 0.000 1.082 33 I CB 2.149 39.761 38.000 -0.648 0.000 1.264 33 I HN 0.670 nan 8.210 nan 0.000 0.429 34 A N 4.183 126.552 122.820 -0.753 0.000 2.455 34 A HA 0.467 4.787 4.320 -0.000 0.000 0.300 34 A C -1.016 176.249 177.584 -0.532 0.000 1.040 34 A CA -0.680 50.935 52.037 -0.702 0.000 0.697 34 A CB 1.434 20.189 19.000 -0.408 0.000 1.265 34 A HN 0.807 nan 8.150 nan 0.000 0.407 35 N N 1.354 119.805 118.700 -0.415 0.000 2.430 35 N HA 0.428 5.168 4.740 -0.000 0.000 0.265 35 N C 0.839 176.290 175.510 -0.097 0.000 1.100 35 N CA 0.545 53.521 53.050 -0.124 0.000 0.961 35 N CB 0.793 39.363 38.487 0.138 0.000 1.075 35 N HN 0.676 nan 8.380 nan 0.000 0.478 36 G N 2.626 111.365 108.800 -0.101 0.000 3.774 36 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.287 36 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.287 36 G C 0.753 175.618 174.900 -0.058 0.000 1.030 36 G CA -0.332 44.721 45.100 -0.078 0.000 0.824 36 G HN 0.753 nan 8.290 nan 0.000 0.518 37 E N 1.052 121.224 120.200 -0.046 0.000 2.171 37 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 37 E C 0.949 177.575 176.600 0.042 0.000 0.997 37 E CA 0.924 57.304 56.400 -0.033 0.000 0.810 37 E CB 0.114 29.793 29.700 -0.035 0.000 0.738 37 E HN 0.336 nan 8.360 nan 0.000 0.467 38 N N -0.773 117.964 118.700 0.063 0.000 2.204 38 N HA 0.133 4.873 4.740 -0.000 0.000 0.219 38 N C 0.870 176.390 175.510 0.017 0.000 1.151 38 N CA 0.564 53.650 53.050 0.061 0.000 0.867 38 N CB 0.971 39.508 38.487 0.084 0.000 1.043 38 N HN 0.113 nan 8.380 nan 0.000 0.516 39 A N 0.933 123.751 122.820 -0.005 0.000 1.978 39 A HA 0.028 4.348 4.320 -0.000 0.000 0.220 39 A C 1.339 178.920 177.584 -0.004 0.000 1.170 39 A CA 1.326 53.354 52.037 -0.014 0.000 0.636 39 A CB -0.229 18.750 19.000 -0.035 0.000 0.810 39 A HN 0.246 nan 8.150 nan 0.000 0.448 40 A N -0.761 122.056 122.820 -0.005 0.000 2.650 40 A HA 0.557 4.877 4.320 -0.000 0.000 0.320 40 A C 0.871 178.493 177.584 0.063 0.000 1.466 40 A CA -0.097 51.946 52.037 0.010 0.000 1.099 40 A CB -0.478 18.506 19.000 -0.026 0.000 1.136 40 A HN 0.513 nan 8.150 nan 0.000 0.532 41 R N 0.838 121.385 120.500 0.078 0.000 4.010 41 R HA -0.287 4.052 4.340 -0.000 0.000 0.409 41 R C 1.212 177.632 176.300 0.198 0.000 1.120 41 R CA 1.748 57.925 56.100 0.128 0.000 1.244 41 R CB -1.820 28.563 30.300 0.138 0.000 1.799 41 R HN 2.091 nan 8.270 nan 0.000 0.559 42 G N -1.710 107.162 108.800 0.119 0.000 2.253 42 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.209 42 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.209 42 G C -0.216 174.607 174.900 -0.129 0.000 0.997 42 G CA 0.072 45.211 45.100 0.066 0.000 0.640 42 G HN 0.057 nan 8.290 nan 0.000 0.496 43 K N 1.080 121.432 120.400 -0.079 0.000 2.616 43 K HA 0.614 4.934 4.320 -0.000 0.000 0.241 43 K C 0.526 177.109 176.600 -0.027 0.000 0.961 43 K CA 0.552 56.751 56.287 -0.146 0.000 0.942 43 K CB 0.934 33.301 32.500 -0.221 0.000 1.153 43 K HN 1.688 nan 8.250 nan 0.000 0.452 44 G N 1.785 110.576 108.800 -0.014 0.000 2.685 44 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.387 44 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.387 44 G C -1.663 173.212 174.900 -0.042 0.000 1.324 44 G CA -0.876 44.215 45.100 -0.015 0.000 0.878 44 G HN 0.407 nan 8.290 nan 0.000 0.527 45 L N 1.794 122.962 121.223 -0.093 0.000 2.406 45 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 45 L C -0.588 176.156 176.870 -0.211 0.000 0.980 45 L CA -0.398 54.365 54.840 -0.128 0.000 0.831 45 L CB 1.230 43.206 42.059 -0.138 0.000 1.253 45 L HN 1.071 nan 8.230 nan 0.000 0.406 46 D N 3.391 123.626 120.400 -0.276 0.000 2.592 46 D HA 0.386 5.026 4.640 -0.000 0.000 0.259 46 D C 0.836 177.031 176.300 -0.175 0.000 1.144 46 D CA -0.632 53.111 54.000 -0.427 0.000 1.080 46 D CB 0.969 41.312 40.800 -0.762 0.000 1.225 46 D HN 0.366 nan 8.370 nan 0.000 0.619 47 R N -0.880 119.540 120.500 -0.133 0.000 2.081 47 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 47 R C 2.264 178.576 176.300 0.020 0.000 1.131 47 R CA 1.299 57.392 56.100 -0.011 0.000 0.960 47 R CB -0.228 30.072 30.300 -0.001 0.000 0.856 47 R HN 0.485 nan 8.270 nan 0.000 0.436 48 R N 0.483 120.966 120.500 -0.028 0.000 2.073 48 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 48 R C 2.142 178.425 176.300 -0.028 0.000 1.134 48 R CA 2.006 58.093 56.100 -0.022 0.000 0.952 48 R CB -0.100 30.185 30.300 -0.024 0.000 0.850 48 R HN 0.074 nan 8.270 nan 0.000 0.433 49 S N -0.018 115.660 115.700 -0.036 0.000 2.348 49 S HA -0.214 4.256 4.470 -0.000 0.000 0.221 49 S C 1.565 176.147 174.600 -0.030 0.000 1.033 49 S CA 1.511 59.690 58.200 -0.036 0.000 1.010 49 S CB -0.623 62.551 63.200 -0.044 0.000 0.891 49 S HN 0.521 nan 8.310 nan 0.000 0.442 50 Y N 2.695 122.923 120.300 -0.119 0.000 2.097 50 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 50 Y C 2.402 178.238 175.900 -0.107 0.000 1.152 50 Y CA 1.601 59.625 58.100 -0.126 0.000 1.136 50 Y CB -0.232 38.147 38.460 -0.135 0.000 0.975 50 Y HN 0.051 nan 8.280 nan 0.000 0.498 51 R N 0.145 120.530 120.500 -0.193 0.000 2.105 51 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 51 R C 2.294 178.447 176.300 -0.246 0.000 1.135 51 R CA 1.825 57.768 56.100 -0.261 0.000 0.967 51 R CB -0.596 29.661 30.300 -0.072 0.000 0.861 51 R HN 0.429 nan 8.270 nan 0.000 0.442 52 L N 0.504 121.627 121.223 -0.166 0.000 2.056 52 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 52 L C 2.403 179.175 176.870 -0.163 0.000 1.078 52 L CA 1.133 55.895 54.840 -0.130 0.000 0.749 52 L CB -0.338 41.674 42.059 -0.079 0.000 0.901 52 L HN 0.191 nan 8.230 nan 0.000 0.433 53 L N -0.920 120.182 121.223 -0.201 0.000 2.046 53 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 53 L C 2.908 179.616 176.870 -0.271 0.000 1.077 53 L CA 0.938 55.652 54.840 -0.209 0.000 0.747 53 L CB -0.530 41.405 42.059 -0.206 0.000 0.896 53 L HN 0.235 nan 8.230 nan 0.000 0.432 54 R N 0.406 120.661 120.500 -0.409 0.000 2.081 54 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 54 R C 2.039 178.190 176.300 -0.249 0.000 1.131 54 R CA 1.249 57.113 56.100 -0.393 0.000 0.960 54 R CB -0.567 29.388 30.300 -0.575 0.000 0.856 54 R HN 0.511 nan 8.270 nan 0.000 0.436 55 E N 0.490 120.560 120.200 -0.217 0.000 2.153 55 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 55 E C 1.789 178.311 176.600 -0.130 0.000 0.988 55 E CA 1.167 57.477 56.400 -0.149 0.000 0.811 55 E CB -0.061 29.565 29.700 -0.123 0.000 0.746 55 E HN 0.315 nan 8.360 nan 0.000 0.466 56 A N 0.032 122.772 122.820 -0.134 0.000 2.119 56 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 56 A C 1.757 179.264 177.584 -0.128 0.000 1.152 56 A CA 1.133 53.098 52.037 -0.120 0.000 0.708 56 A CB 0.008 18.949 19.000 -0.099 0.000 0.805 56 A HN 0.364 nan 8.150 nan 0.000 0.460 57 G N -2.329 106.388 108.800 -0.138 0.000 2.234 57 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.153 57 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.153 57 G C -0.058 174.755 174.900 -0.146 0.000 1.013 57 G CA -0.104 44.919 45.100 -0.129 0.000 0.712 57 G HN 0.584 nan 8.290 nan 0.000 0.491 58 V N 1.926 121.733 119.914 -0.178 0.000 2.455 58 V HA 0.279 4.399 4.120 -0.000 0.000 0.273 58 V C 0.949 176.910 176.094 -0.223 0.000 1.045 58 V CA 0.210 62.382 62.300 -0.213 0.000 0.976 58 V CB 1.433 33.113 31.823 -0.239 0.000 0.993 58 V HN 0.271 nan 8.190 nan 0.000 0.475 59 D N 3.127 123.398 120.400 -0.214 0.000 2.240 59 D HA 0.109 4.748 4.640 -0.000 0.000 0.206 59 D C 0.165 176.299 176.300 -0.277 0.000 0.963 59 D CA 0.826 54.708 54.000 -0.196 0.000 0.863 59 D CB 0.849 41.565 40.800 -0.141 0.000 0.973 59 D HN 0.329 nan 8.370 nan 0.000 0.501 60 L N 0.642 121.655 121.223 -0.350 0.000 2.493 60 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 60 L C -1.544 175.064 176.870 -0.436 0.000 0.954 60 L CA -0.705 53.856 54.840 -0.466 0.000 0.844 60 L CB 2.424 44.144 42.059 -0.565 0.000 1.302 60 L HN -0.362 nan 8.230 nan 0.000 0.405 61 V N 3.547 123.253 119.914 -0.347 0.000 2.459 61 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 61 V C 0.089 176.048 176.094 -0.226 0.000 1.029 61 V CA -0.164 61.975 62.300 -0.268 0.000 0.874 61 V CB 1.841 33.590 31.823 -0.124 0.000 0.985 61 V HN 0.940 nan 8.190 nan 0.000 0.438 62 S N 5.480 121.071 115.700 -0.182 0.000 2.681 62 S HA 0.782 5.251 4.470 -0.000 0.000 0.299 62 S C -0.364 174.183 174.600 -0.089 0.000 1.113 62 S CA -0.680 57.499 58.200 -0.034 0.000 1.013 62 S CB 1.954 65.261 63.200 0.178 0.000 1.076 62 S HN 0.307 nan 8.310 nan 0.000 0.534 63 L N 0.652 121.805 121.223 -0.116 0.000 2.679 63 L HA 0.924 5.264 4.340 -0.000 0.000 0.217 63 L C 1.414 178.084 176.870 -0.333 0.000 1.659 63 L CA 0.761 55.472 54.840 -0.215 0.000 2.908 63 L CB -0.738 41.135 42.059 -0.310 0.000 2.698 63 L HN 1.155 nan 8.230 nan 0.000 0.828 64 G N -0.284 108.320 108.800 -0.328 0.000 2.334 64 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.249 64 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.249 64 G C -0.232 174.602 174.900 -0.110 0.000 1.327 64 G CA 0.138 44.993 45.100 -0.409 0.000 0.979 64 G HN 0.534 nan 8.290 nan 0.000 0.471 65 N N -1.190 117.498 118.700 -0.020 0.000 2.512 65 N HA 0.028 4.768 4.740 -0.000 0.000 0.183 65 N C 1.190 176.819 175.510 0.197 0.000 1.073 65 N CA 1.850 54.973 53.050 0.122 0.000 0.911 65 N CB -0.223 38.285 38.487 0.036 0.000 0.964 65 N HN 0.684 nan 8.380 nan 0.000 0.447 66 H N -1.476 117.606 119.070 0.020 0.000 2.520 66 H HA 0.421 4.976 4.556 -0.000 0.000 0.284 66 H C 1.425 176.642 175.328 -0.186 0.000 1.037 66 H CA -0.151 55.889 56.048 -0.014 0.000 1.168 66 H CB 0.578 30.352 29.762 0.019 0.000 1.497 66 H HN 0.411 nan 8.280 nan 0.000 0.547 67 A N 0.499 123.113 122.820 -0.344 0.000 2.019 67 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 67 A C 1.066 178.164 177.584 -0.809 0.000 1.164 67 A CA 0.938 52.527 52.037 -0.747 0.000 0.644 67 A CB -0.626 17.644 19.000 -1.217 0.000 0.805 67 A HN 0.566 nan 8.150 nan 0.000 0.449 68 W N -0.903 120.382 121.300 -0.024 0.000 3.278 68 W HA 0.279 4.939 4.660 -0.000 0.000 0.308 68 W C 1.266 177.803 176.519 0.031 0.000 1.253 68 W CA -0.100 57.221 57.345 -0.040 0.000 1.759 68 W CB -0.176 29.314 29.460 0.049 0.000 1.093 68 W HN 0.409 nan 8.180 nan 0.000 0.648 69 D N 0.058 120.533 120.400 0.125 0.000 2.104 69 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 69 D C 0.754 177.119 176.300 0.108 0.000 0.994 69 D CA 1.310 55.367 54.000 0.095 0.000 0.830 69 D CB 0.015 40.819 40.800 0.006 0.000 0.959 69 D HN -0.055 nan 8.370 nan 0.000 0.452 70 H N -0.414 118.667 119.070 0.019 0.000 2.504 70 H HA 0.184 4.740 4.556 -0.000 0.000 0.322 70 H C 0.610 175.973 175.328 0.059 0.000 1.055 70 H CA -0.465 55.603 56.048 0.033 0.000 1.231 70 H CB 1.577 31.336 29.762 -0.004 0.000 1.417 70 H HN -0.021 nan 8.280 nan 0.000 0.472 71 K N 3.046 123.588 120.400 0.237 0.000 2.442 71 K HA -0.112 4.208 4.320 -0.000 0.000 0.198 71 K C 0.980 177.819 176.600 0.399 0.000 1.044 71 K CA 1.247 57.775 56.287 0.402 0.000 0.948 71 K CB 0.025 32.689 32.500 0.272 0.000 0.762 71 K HN 0.555 nan 8.250 nan 0.000 0.472 72 E N 0.753 121.206 120.200 0.423 0.000 2.478 72 E HA -0.086 4.263 4.350 -0.000 0.000 0.198 72 E C 1.568 178.187 176.600 0.031 0.000 1.046 72 E CA 0.876 57.396 56.400 0.199 0.000 0.870 72 E CB -0.057 29.697 29.700 0.090 0.000 0.818 72 E HN 0.403 nan 8.360 nan 0.000 0.527 73 V N -1.747 118.130 119.914 -0.061 0.000 2.667 73 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 73 V C 1.775 177.730 176.094 -0.231 0.000 1.065 73 V CA 1.198 63.354 62.300 -0.240 0.000 1.083 73 V CB -1.067 30.518 31.823 -0.397 0.000 0.692 73 V HN 0.170 nan 8.190 nan 0.000 0.468 74 Y N 1.915 122.250 120.300 0.057 0.000 2.165 74 Y HA -0.048 4.502 4.550 -0.000 0.000 0.286 74 Y C 2.859 178.770 175.900 0.018 0.000 1.155 74 Y CA 1.908 60.048 58.100 0.066 0.000 1.164 74 Y CB -0.838 37.671 38.460 0.082 0.000 0.978 74 Y HN 0.299 nan 8.280 nan 0.000 0.513 75 A N 0.032 122.933 122.820 0.134 0.000 1.930 75 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 75 A C 2.178 179.744 177.584 -0.029 0.000 1.175 75 A CA 1.292 53.362 52.037 0.055 0.000 0.627 75 A CB -1.010 18.018 19.000 0.045 0.000 0.815 75 A HN 0.479 nan 8.150 nan 0.000 0.443 76 L N -1.032 120.127 121.223 -0.108 0.000 2.083 76 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 76 L C 2.292 179.035 176.870 -0.211 0.000 1.083 76 L CA 0.545 55.233 54.840 -0.254 0.000 0.752 76 L CB -0.492 41.326 42.059 -0.401 0.000 0.899 76 L HN 0.267 nan 8.230 nan 0.000 0.433 77 L N 0.184 121.331 121.223 -0.128 0.000 2.201 77 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 77 L C 2.592 179.471 176.870 0.015 0.000 1.105 77 L CA 1.656 56.459 54.840 -0.061 0.000 0.775 77 L CB -0.745 41.306 42.059 -0.014 0.000 0.913 77 L HN 0.445 nan 8.230 nan 0.000 0.440 78 E N -2.069 118.145 120.200 0.023 0.000 2.299 78 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 78 E C 1.582 178.210 176.600 0.047 0.000 0.998 78 E CA 1.117 57.545 56.400 0.046 0.000 0.851 78 E CB -0.075 29.655 29.700 0.049 0.000 0.795 78 E HN 0.475 nan 8.360 nan 0.000 0.492 79 S N -0.909 114.806 115.700 0.025 0.000 2.651 79 S HA 0.149 4.619 4.470 -0.000 0.000 0.259 79 S C 0.391 175.026 174.600 0.059 0.000 1.073 79 S CA -0.590 57.639 58.200 0.049 0.000 1.090 79 S CB 0.363 63.579 63.200 0.027 0.000 1.042 79 S HN -0.033 nan 8.310 nan 0.000 0.581 80 E N 2.334 122.505 120.200 -0.049 0.000 2.232 80 E HA 0.455 4.805 4.350 -0.000 0.000 0.265 80 E C -2.946 173.522 176.600 -0.220 0.000 1.001 80 E CA -2.687 53.636 56.400 -0.129 0.000 0.870 80 E CB 0.283 29.683 29.700 -0.499 0.000 1.175 80 E HN 0.024 nan 8.360 nan 0.000 0.407 81 P HA 0.127 nan 4.420 nan 0.000 0.249 81 P C -1.003 175.870 177.300 -0.711 0.000 1.737 81 P CA 0.200 62.654 63.100 -1.077 0.000 1.128 81 P CB 0.120 31.372 31.700 -0.746 0.000 1.942 82 V N 3.157 122.739 119.914 -0.553 0.000 2.760 82 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 82 V C 0.078 176.075 176.094 -0.161 0.000 1.077 82 V CA -0.887 61.221 62.300 -0.319 0.000 0.910 82 V CB 2.685 34.327 31.823 -0.303 0.000 1.008 82 V HN 0.157 nan 8.190 nan 0.000 0.424 83 V N 2.637 122.505 119.914 -0.077 0.000 2.914 83 V HA 0.975 5.095 4.120 -0.000 0.000 0.314 83 V C -0.694 175.420 176.094 0.032 0.000 1.084 83 V CA -0.988 61.351 62.300 0.066 0.000 0.963 83 V CB 2.122 34.088 31.823 0.239 0.000 1.025 83 V HN 1.013 nan 8.190 nan 0.000 0.432 84 R N 2.368 122.904 120.500 0.061 0.000 2.923 84 R HA 0.849 5.189 4.340 -0.000 0.000 0.252 84 R C -3.119 173.295 176.300 0.190 0.000 1.130 84 R CA -2.481 53.646 56.100 0.045 0.000 1.043 84 R CB -0.481 29.796 30.300 -0.038 0.000 1.205 84 R HN 0.456 nan 8.270 nan 0.000 0.495 85 P HA -0.072 nan 4.420 nan 0.000 0.261 85 P C 0.308 177.778 177.300 0.283 0.000 1.183 85 P CA -0.000 63.242 63.100 0.237 0.000 0.761 85 P CB 0.367 32.172 31.700 0.175 0.000 0.785 86 L N 5.175 126.506 121.223 0.179 0.000 2.083 86 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 86 L C 1.813 178.775 176.870 0.154 0.000 1.083 86 L CA 1.959 56.909 54.840 0.182 0.000 0.752 86 L CB -1.280 40.851 42.059 0.120 0.000 0.899 86 L HN 0.274 nan 8.230 nan 0.000 0.433 87 N N -1.482 117.263 118.700 0.076 0.000 2.242 87 N HA -0.261 4.479 4.740 -0.000 0.000 0.191 87 N C 0.053 175.570 175.510 0.013 0.000 1.005 87 N CA 0.816 53.866 53.050 -0.000 0.000 0.877 87 N CB -0.379 38.052 38.487 -0.094 0.000 0.983 87 N HN 0.422 nan 8.380 nan 0.000 0.439 88 Y N 0.909 121.271 120.300 0.103 0.000 2.607 88 Y HA 0.057 4.606 4.550 -0.000 0.000 0.348 88 Y C -1.509 174.439 175.900 0.080 0.000 1.261 88 Y CA -1.483 56.683 58.100 0.110 0.000 1.480 88 Y CB -0.121 38.441 38.460 0.171 0.000 1.358 88 Y HN 0.155 nan 8.280 nan 0.000 0.630 89 P HA 0.146 nan 4.420 nan 0.000 0.276 89 P C -2.662 174.712 177.300 0.124 0.000 1.244 89 P CA -1.574 61.614 63.100 0.147 0.000 0.801 89 P CB 0.388 32.154 31.700 0.112 0.000 1.006 90 P HA 0.036 nan 4.420 nan 0.000 0.266 90 P C 1.029 178.357 177.300 0.047 0.000 1.186 90 P CA 1.404 64.544 63.100 0.068 0.000 0.767 90 P CB -0.251 31.480 31.700 0.051 0.000 0.820 91 G N 0.689 109.513 108.800 0.040 0.000 2.176 91 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.253 91 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.253 91 G C 0.254 175.150 174.900 -0.007 0.000 0.979 91 G CA 0.091 45.199 45.100 0.013 0.000 0.641 91 G HN 0.631 nan 8.290 nan 0.000 0.530 92 T N 3.873 118.435 114.554 0.013 0.000 2.794 92 T HA 0.513 4.863 4.350 -0.000 0.000 0.296 92 T C -1.368 173.356 174.700 0.040 0.000 0.949 92 T CA -0.411 61.667 62.100 -0.036 0.000 1.101 92 T CB 1.799 70.663 68.868 -0.007 0.000 0.905 92 T HN 0.277 nan 8.240 nan 0.000 0.516 93 P HA 0.343 nan 4.420 nan 0.000 0.269 93 P C 0.559 177.985 177.300 0.209 0.000 1.217 93 P CA 0.159 63.358 63.100 0.164 0.000 0.783 93 P CB 0.150 32.018 31.700 0.280 0.000 0.898 94 G N 1.202 110.094 108.800 0.154 0.000 2.829 94 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.628 94 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.628 94 G C -0.998 173.972 174.900 0.117 0.000 1.412 94 G CA -0.620 44.554 45.100 0.122 0.000 0.864 94 G HN 0.672 nan 8.290 nan 0.000 0.544 95 K N -0.216 120.247 120.400 0.104 0.000 2.118 95 K HA 0.605 4.925 4.320 -0.000 0.000 0.254 95 K C 1.299 177.982 176.600 0.139 0.000 0.961 95 K CA -0.192 56.138 56.287 0.072 0.000 0.876 95 K CB 1.668 34.141 32.500 -0.044 0.000 1.077 95 K HN 0.784 nan 8.250 nan 0.000 0.440 96 G N 1.316 110.237 108.800 0.201 0.000 3.126 96 G HA2 0.171 4.131 3.960 -0.000 0.000 0.224 96 G HA3 0.171 4.131 3.960 -0.000 0.000 0.224 96 G C -0.206 174.918 174.900 0.374 0.000 1.142 96 G CA 0.072 45.345 45.100 0.288 0.000 0.759 96 G HN 0.539 nan 8.290 nan 0.000 0.550 97 F N -3.576 116.494 119.950 0.201 0.000 2.745 97 F HA 0.811 5.338 4.527 -0.000 0.000 0.316 97 F C -2.069 173.962 175.800 0.385 0.000 1.155 97 F CA -2.370 55.769 58.000 0.230 0.000 0.937 97 F CB 1.423 40.494 39.000 0.118 0.000 1.361 97 F HN -0.047 nan 8.300 nan 0.000 0.472 98 W N 2.469 123.894 121.300 0.209 0.000 3.479 98 W HA 0.456 5.116 4.660 -0.000 0.000 0.304 98 W C -1.946 174.716 176.519 0.237 0.000 1.243 98 W CA -0.843 56.544 57.345 0.070 0.000 1.202 98 W CB 2.378 31.892 29.460 0.089 0.000 1.346 98 W HN 0.962 nan 8.180 nan 0.000 0.539 99 R N 5.374 125.907 120.500 0.055 0.000 2.229 99 R HA 0.589 4.929 4.340 -0.000 0.000 0.332 99 R C -1.117 175.345 176.300 0.271 0.000 0.989 99 R CA -0.272 55.938 56.100 0.184 0.000 0.842 99 R CB 0.733 31.068 30.300 0.059 0.000 1.119 99 R HN 0.524 nan 8.270 nan 0.000 0.456 100 L N 2.720 124.154 121.223 0.352 0.000 2.344 100 L HA 0.491 4.830 4.340 -0.000 0.000 0.272 100 L C -0.336 176.661 176.870 0.211 0.000 1.035 100 L CA -0.874 54.153 54.840 0.311 0.000 0.807 100 L CB 1.885 44.111 42.059 0.278 0.000 1.237 100 L HN 0.625 nan 8.230 nan 0.000 0.442 101 E N 0.999 121.301 120.200 0.171 0.000 2.234 101 E HA 0.668 5.018 4.350 -0.000 0.000 0.266 101 E C -1.669 175.003 176.600 0.120 0.000 0.877 101 E CA -0.384 56.096 56.400 0.133 0.000 0.758 101 E CB 2.084 31.845 29.700 0.102 0.000 1.170 101 E HN 0.216 nan 8.360 nan 0.000 0.415 102 V N 2.987 122.975 119.914 0.124 0.000 2.891 102 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 102 V C 0.562 176.719 176.094 0.105 0.000 1.171 102 V CA -0.360 62.004 62.300 0.107 0.000 0.943 102 V CB 2.063 33.954 31.823 0.113 0.000 1.037 102 V HN 0.895 nan 8.190 nan 0.000 0.427 103 G N 2.836 111.683 108.800 0.078 0.000 2.416 103 G HA2 0.045 4.005 3.960 -0.000 0.000 0.301 103 G HA3 0.045 4.005 3.960 -0.000 0.000 0.301 103 G C 1.423 176.368 174.900 0.076 0.000 0.985 103 G CA 1.643 46.785 45.100 0.071 0.000 0.934 103 G HN 2.518 nan 8.290 nan 0.000 0.513 104 G N -1.492 107.350 108.800 0.070 0.000 2.347 104 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.247 104 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.247 104 G C 0.431 175.374 174.900 0.072 0.000 1.037 104 G CA 0.969 46.106 45.100 0.061 0.000 0.622 104 G HN 0.969 nan 8.290 nan 0.000 0.521 105 E N 1.029 121.293 120.200 0.107 0.000 2.374 105 E HA 0.511 4.861 4.350 -0.000 0.000 0.260 105 E C 0.428 177.115 176.600 0.145 0.000 1.101 105 E CA 0.348 56.825 56.400 0.129 0.000 0.907 105 E CB 1.023 30.874 29.700 0.252 0.000 1.014 105 E HN 0.577 nan 8.360 nan 0.000 0.427 106 S N 1.293 117.066 115.700 0.123 0.000 2.532 106 S HA 0.603 5.073 4.470 -0.000 0.000 0.301 106 S C -1.026 173.705 174.600 0.219 0.000 1.083 106 S CA -0.999 57.288 58.200 0.144 0.000 1.025 106 S CB 1.329 64.578 63.200 0.081 0.000 1.056 106 S HN 0.304 nan 8.310 nan 0.000 0.494 107 L N 2.613 123.991 121.223 0.259 0.000 2.376 107 L HA 0.689 5.029 4.340 -0.000 0.000 0.275 107 L C -1.426 175.626 176.870 0.303 0.000 0.987 107 L CA -0.964 54.069 54.840 0.322 0.000 0.828 107 L CB 1.558 43.836 42.059 0.365 0.000 1.249 107 L HN 0.835 nan 8.230 nan 0.000 0.409 108 L N 5.869 127.252 121.223 0.266 0.000 2.257 108 L HA 0.522 4.862 4.340 -0.000 0.000 0.290 108 L C -1.325 175.747 176.870 0.336 0.000 1.044 108 L CA 0.082 55.087 54.840 0.276 0.000 0.810 108 L CB 0.679 42.829 42.059 0.152 0.000 1.193 108 L HN 0.609 nan 8.230 nan 0.000 0.425 109 F N 6.035 126.161 119.950 0.294 0.000 2.436 109 F HA 0.768 5.295 4.527 -0.000 0.000 0.340 109 F C -0.991 174.988 175.800 0.298 0.000 1.113 109 F CA -0.498 57.668 58.000 0.276 0.000 1.022 109 F CB 1.433 40.595 39.000 0.269 0.000 1.128 109 F HN 0.231 nan 8.300 nan 0.000 0.466 110 V N 5.928 125.398 119.914 -0.740 0.000 2.686 110 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 110 V C -0.870 174.815 176.094 -0.681 0.000 1.065 110 V CA -0.835 61.196 62.300 -0.448 0.000 0.894 110 V CB 1.601 33.336 31.823 -0.147 0.000 1.004 110 V HN 0.816 nan 8.190 nan 0.000 0.424 111 Q N 2.522 122.128 119.800 -0.324 0.000 2.274 111 Q HA 0.837 5.177 4.340 -0.000 0.000 0.260 111 Q C -1.652 174.324 176.000 -0.039 0.000 0.974 111 Q CA -0.291 55.430 55.803 -0.136 0.000 0.876 111 Q CB 2.427 31.220 28.738 0.091 0.000 1.297 111 Q HN 0.614 nan 8.270 nan 0.000 0.446 115 R N -0.720 119.741 120.500 -0.065 0.000 2.435 115 R HA 0.265 4.604 4.340 -0.000 0.000 0.221 115 R C 1.049 177.301 176.300 -0.081 0.000 0.885 115 R CA -0.239 55.825 56.100 -0.060 0.000 1.018 115 R CB 0.939 31.215 30.300 -0.040 0.000 1.259 115 R HN 0.508 nan 8.270 nan 0.000 0.597 116 I N 2.280 122.760 120.570 -0.149 0.000 2.452 116 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 116 I C -0.924 175.029 176.117 -0.273 0.000 1.079 116 I CA -0.050 61.040 61.300 -0.350 0.000 1.387 116 I CB 0.080 37.746 38.000 -0.556 0.000 1.404 116 I HN 0.006 nan 8.210 nan 0.000 0.522 120 P HA 0.335 nan 4.420 nan 0.000 0.271 120 P C -0.637 176.645 177.300 -0.029 0.000 1.220 120 P CA -0.136 62.956 63.100 -0.013 0.000 0.768 120 P CB 1.027 32.727 31.700 0.001 0.000 0.848 121 L N 1.384 122.574 121.223 -0.055 0.000 2.183 121 L HA 0.431 4.770 4.340 -0.000 0.000 0.253 121 L C 0.375 177.222 176.870 -0.039 0.000 1.048 121 L CA -1.245 53.547 54.840 -0.079 0.000 0.890 121 L CB 0.912 42.857 42.059 -0.191 0.000 1.476 121 L HN 0.220 nan 8.230 nan 0.000 0.455 122 D N 0.349 120.734 120.400 -0.025 0.000 2.378 122 D HA 0.015 4.654 4.640 -0.000 0.000 0.238 122 D C -0.565 175.739 176.300 0.006 0.000 1.180 122 D CA -0.005 53.997 54.000 0.003 0.000 0.895 122 D CB 0.502 41.316 40.800 0.024 0.000 1.192 122 D HN 0.365 nan 8.370 nan 0.000 0.438 123 D N 1.204 121.622 120.400 0.030 0.000 2.389 123 D HA -0.019 4.620 4.640 -0.000 0.000 0.263 123 D C -1.523 174.815 176.300 0.062 0.000 1.255 123 D CA -1.355 52.688 54.000 0.071 0.000 0.914 123 D CB 0.973 41.819 40.800 0.077 0.000 1.116 123 D HN 0.033 nan 8.370 nan 0.000 0.502 124 P HA -0.132 nan 4.420 nan 0.000 0.219 124 P C 1.471 178.712 177.300 -0.098 0.000 1.150 124 P CA 0.719 63.764 63.100 -0.092 0.000 0.814 124 P CB 0.033 31.604 31.700 -0.216 0.000 0.787 125 F N 1.312 121.244 119.950 -0.030 0.000 2.046 125 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 125 F C 2.783 178.648 175.800 0.108 0.000 1.123 125 F CA 1.687 59.675 58.000 -0.019 0.000 1.199 125 F CB -1.111 37.694 39.000 -0.326 0.000 0.972 125 F HN -0.220 nan 8.300 nan 0.000 0.474 126 R N -0.094 120.549 120.500 0.239 0.000 2.189 126 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 126 R C 2.270 178.634 176.300 0.108 0.000 1.074 126 R CA 0.721 56.925 56.100 0.172 0.000 0.991 126 R CB -0.547 29.818 30.300 0.108 0.000 0.883 126 R HN 0.293 nan 8.270 nan 0.000 0.457 127 A N 1.233 124.100 122.820 0.078 0.000 1.898 127 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 127 A C 1.986 179.583 177.584 0.021 0.000 1.181 127 A CA 0.883 52.944 52.037 0.040 0.000 0.620 127 A CB -0.239 18.777 19.000 0.027 0.000 0.819 127 A HN 0.078 nan 8.150 nan 0.000 0.442 128 L N 0.269 121.507 121.223 0.026 0.000 2.083 128 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 128 L C 1.846 178.717 176.870 0.002 0.000 1.083 128 L CA 1.892 56.730 54.840 -0.002 0.000 0.752 128 L CB -1.526 40.536 42.059 0.004 0.000 0.899 128 L HN 0.373 nan 8.230 nan 0.000 0.433 129 D N -0.423 120.015 120.400 0.063 0.000 2.117 129 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 129 D C 2.338 178.634 176.300 -0.005 0.000 0.987 129 D CA 0.962 54.983 54.000 0.036 0.000 0.829 129 D CB 0.028 40.889 40.800 0.103 0.000 0.961 129 D HN 0.262 nan 8.370 nan 0.000 0.460 130 R N 0.123 120.624 120.500 0.001 0.000 2.081 130 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 130 R C 2.262 178.519 176.300 -0.071 0.000 1.131 130 R CA 0.462 56.549 56.100 -0.022 0.000 0.960 130 R CB -0.322 29.975 30.300 -0.005 0.000 0.856 130 R HN 0.167 nan 8.270 nan 0.000 0.436 131 L N 0.725 121.887 121.223 -0.101 0.000 2.005 131 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 131 L C 1.841 178.589 176.870 -0.204 0.000 1.072 131 L CA 1.736 56.451 54.840 -0.208 0.000 0.744 131 L CB -0.636 41.280 42.059 -0.239 0.000 0.895 131 L HN 0.200 nan 8.230 nan 0.000 0.433 132 L N 0.360 121.498 121.223 -0.141 0.000 2.349 132 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 132 L C 2.632 179.442 176.870 -0.101 0.000 1.130 132 L CA 1.261 56.030 54.840 -0.119 0.000 0.791 132 L CB -0.921 41.081 42.059 -0.095 0.000 0.918 132 L HN 0.314 nan 8.230 nan 0.000 0.444 133 E N -0.269 119.877 120.200 -0.089 0.000 2.051 133 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 133 E C 2.006 178.561 176.600 -0.073 0.000 0.979 133 E CA 1.195 57.553 56.400 -0.069 0.000 0.803 133 E CB 0.170 29.840 29.700 -0.050 0.000 0.761 133 E HN 0.721 nan 8.360 nan 0.000 0.451 134 E N 0.449 120.594 120.200 -0.092 0.000 2.170 134 E HA -0.017 4.332 4.350 -0.000 0.000 0.191 134 E C 0.157 176.696 176.600 -0.101 0.000 0.981 134 E CA 0.485 56.833 56.400 -0.086 0.000 0.830 134 E CB 0.062 29.710 29.700 -0.085 0.000 0.775 134 E HN -0.048 nan 8.360 nan 0.000 0.470 135 E N 1.508 121.616 120.200 -0.154 0.000 2.151 135 E HA 0.326 4.676 4.350 -0.000 0.000 0.275 135 E C -0.468 176.076 176.600 -0.094 0.000 0.936 135 E CA -0.473 55.842 56.400 -0.142 0.000 0.777 135 E CB 1.692 31.222 29.700 -0.283 0.000 1.108 135 E HN 0.014 nan 8.360 nan 0.000 0.401 136 K N 0.801 121.169 120.400 -0.054 0.000 2.328 136 K HA 0.870 5.190 4.320 -0.000 0.000 0.246 136 K C -0.726 175.857 176.600 -0.029 0.000 0.955 136 K CA -0.980 55.278 56.287 -0.049 0.000 0.817 136 K CB 2.567 35.037 32.500 -0.049 0.000 1.208 136 K HN 0.596 nan 8.250 nan 0.000 0.432 137 A N 0.814 123.607 122.820 -0.045 0.000 2.601 137 A HA 0.302 4.622 4.320 -0.000 0.000 0.291 137 A C -0.124 177.382 177.584 -0.130 0.000 1.075 137 A CA -0.545 51.468 52.037 -0.040 0.000 0.671 137 A CB 0.780 19.798 19.000 0.030 0.000 1.277 137 A HN 0.655 nan 8.150 nan 0.000 0.417 138 D N -0.624 119.657 120.400 -0.199 0.000 2.178 138 D HA -0.026 4.614 4.640 -0.000 0.000 0.201 138 D C -0.392 175.413 176.300 -0.826 0.000 0.980 138 D CA 2.253 55.948 54.000 -0.508 0.000 0.842 138 D CB -0.002 40.455 40.800 -0.572 0.000 0.948 138 D HN 0.467 nan 8.370 nan 0.000 0.472 139 Y N -1.280 118.991 120.300 -0.048 0.000 2.581 139 Y HA 0.457 5.007 4.550 -0.000 0.000 0.345 139 Y C -0.241 175.608 175.900 -0.084 0.000 1.036 139 Y CA -1.076 56.929 58.100 -0.158 0.000 1.042 139 Y CB 2.131 40.474 38.460 -0.195 0.000 1.289 139 Y HN -0.442 nan 8.280 nan 0.000 0.471 140 V N 3.314 123.242 119.914 0.023 0.000 2.569 140 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 140 V C -1.498 174.638 176.094 0.071 0.000 1.044 140 V CA -0.607 61.723 62.300 0.050 0.000 0.874 140 V CB 1.966 33.782 31.823 -0.012 0.000 1.002 140 V HN 0.531 nan 8.190 nan 0.000 0.424 141 L N 6.934 128.268 121.223 0.185 0.000 2.325 141 L HA 0.803 5.143 4.340 -0.000 0.000 0.281 141 L C -0.756 176.146 176.870 0.053 0.000 1.004 141 L CA -0.136 54.850 54.840 0.244 0.000 0.823 141 L CB 1.827 44.188 42.059 0.503 0.000 1.236 141 L HN 0.418 nan 8.230 nan 0.000 0.415 142 V N 4.847 124.757 119.914 -0.006 0.000 2.417 142 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 142 V C -0.179 175.843 176.094 -0.120 0.000 1.024 142 V CA -0.663 61.555 62.300 -0.137 0.000 0.861 142 V CB 1.577 33.349 31.823 -0.086 0.000 0.985 142 V HN 0.815 nan 8.190 nan 0.000 0.436 143 E N 3.853 123.934 120.200 -0.198 0.000 2.134 143 E HA 0.504 4.853 4.350 -0.000 0.000 0.278 143 E C -1.447 175.131 176.600 -0.037 0.000 0.959 143 E CA -0.498 55.859 56.400 -0.072 0.000 0.783 143 E CB 1.785 31.582 29.700 0.160 0.000 1.095 143 E HN 0.487 nan 8.360 nan 0.000 0.399 144 V N 5.929 125.831 119.914 -0.020 0.000 2.277 144 V HA 0.083 4.203 4.120 -0.000 0.000 0.269 144 V C -0.019 176.110 176.094 0.057 0.000 1.036 144 V CA -0.618 61.684 62.300 0.002 0.000 0.821 144 V CB 0.667 32.488 31.823 -0.004 0.000 1.052 144 V HN 0.681 nan 8.190 nan 0.000 0.462 145 H N 4.866 123.919 119.070 -0.029 0.000 2.969 145 H HA 0.662 5.218 4.556 -0.000 0.000 0.269 145 H C -0.103 175.174 175.328 -0.085 0.000 1.223 145 H CA 0.331 56.366 56.048 -0.021 0.000 1.400 145 H CB 0.781 30.527 29.762 -0.027 0.000 1.500 145 H HN 0.773 nan 8.280 nan 0.000 0.486 146 A N 4.050 126.789 122.820 -0.136 0.000 2.594 146 A HA 0.221 4.541 4.320 -0.000 0.000 0.291 146 A C 0.537 178.142 177.584 0.035 0.000 1.105 146 A CA -0.703 51.281 52.037 -0.090 0.000 0.694 146 A CB 1.653 20.632 19.000 -0.036 0.000 1.291 146 A HN 0.608 nan 8.150 nan 0.000 0.410 147 E N 0.255 120.524 120.200 0.116 0.000 2.075 147 E HA 0.154 4.504 4.350 -0.000 0.000 0.190 147 E C 0.993 177.697 176.600 0.174 0.000 0.969 147 E CA 1.116 57.632 56.400 0.192 0.000 0.815 147 E CB 0.137 30.011 29.700 0.291 0.000 0.776 147 E HN 0.814 nan 8.360 nan 0.000 0.457 148 A N 1.343 124.260 122.820 0.162 0.000 2.404 148 A HA 0.170 4.490 4.320 -0.000 0.000 0.273 148 A C 1.319 178.957 177.584 0.090 0.000 1.144 148 A CA 0.444 52.560 52.037 0.133 0.000 0.806 148 A CB 0.155 19.150 19.000 -0.009 0.000 1.080 148 A HN 0.276 nan 8.150 nan 0.000 0.509 149 T N 0.198 114.814 114.554 0.104 0.000 2.867 149 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 149 T C 1.905 176.663 174.700 0.096 0.000 1.057 149 T CA 1.732 63.895 62.100 0.106 0.000 1.136 149 T CB -0.615 68.316 68.868 0.104 0.000 0.874 149 T HN 1.028 nan 8.240 nan 0.000 0.466 150 S N 1.582 117.323 115.700 0.069 0.000 2.382 150 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 150 S C 2.101 176.736 174.600 0.057 0.000 1.027 150 S CA 1.199 59.427 58.200 0.048 0.000 0.991 150 S CB -0.613 62.599 63.200 0.021 0.000 0.823 150 S HN 0.705 nan 8.310 nan 0.000 0.469 151 E N 1.568 121.798 120.200 0.050 0.000 2.106 151 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 151 E C 0.662 177.308 176.600 0.078 0.000 0.984 151 E CA 0.607 57.053 56.400 0.077 0.000 0.806 151 E CB 0.026 29.742 29.700 0.026 0.000 0.750 151 E HN 0.561 nan 8.360 nan 0.000 0.458 155 L N 0.709 122.043 121.223 0.185 0.000 2.093 155 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 155 L C 2.966 179.881 176.870 0.076 0.000 1.085 155 L CA 1.441 56.285 54.840 0.007 0.000 0.755 155 L CB -0.341 41.572 42.059 -0.244 0.000 0.904 155 L HN 0.548 nan 8.230 nan 0.000 0.435 156 A N -0.885 121.936 122.820 0.002 0.000 1.877 156 A HA -0.233 4.086 4.320 -0.000 0.000 0.216 156 A C 2.167 179.677 177.584 -0.122 0.000 1.186 156 A CA 1.443 53.410 52.037 -0.115 0.000 0.620 156 A CB -0.777 17.926 19.000 -0.495 0.000 0.822 156 A HN 0.420 nan 8.150 nan 0.000 0.443 157 H N -3.024 116.030 119.070 -0.027 0.000 2.389 157 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 157 H C 1.894 177.290 175.328 0.112 0.000 1.081 157 H CA 1.895 57.956 56.048 0.020 0.000 1.345 157 H CB -0.206 29.563 29.762 0.013 0.000 1.393 157 H HN 0.660 nan 8.280 nan 0.000 0.520 158 Y N 0.650 121.047 120.300 0.161 0.000 2.421 158 Y HA -0.095 4.454 4.550 -0.000 0.000 0.292 158 Y C 1.702 177.648 175.900 0.076 0.000 1.136 158 Y CA 0.510 58.701 58.100 0.151 0.000 1.255 158 Y CB 0.028 38.671 38.460 0.305 0.000 0.991 158 Y HN 0.016 nan 8.280 nan 0.000 0.552 159 L N -0.003 121.249 121.223 0.048 0.000 2.585 159 L HA 0.098 4.438 4.340 -0.000 0.000 0.226 159 L C 0.049 176.876 176.870 -0.070 0.000 1.113 159 L CA 0.342 55.148 54.840 -0.056 0.000 0.876 159 L CB -0.790 41.259 42.059 -0.017 0.000 1.072 159 L HN -0.013 nan 8.230 nan 0.000 0.468 160 D N -0.028 120.336 120.400 -0.059 0.000 2.531 160 D HA 0.304 4.943 4.640 -0.000 0.000 0.239 160 D C 1.464 177.729 176.300 -0.057 0.000 1.144 160 D CA 1.422 55.384 54.000 -0.064 0.000 0.869 160 D CB 0.649 41.411 40.800 -0.063 0.000 1.160 160 D HN 0.335 nan 8.370 nan 0.000 0.484 161 G N 4.177 112.949 108.800 -0.047 0.000 2.253 161 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.251 161 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.251 161 G C 1.384 176.248 174.900 -0.060 0.000 0.998 161 G CA 0.608 45.681 45.100 -0.045 0.000 0.621 161 G HN 0.571 nan 8.290 nan 0.000 0.524 162 R N 0.422 120.877 120.500 -0.075 0.000 2.103 162 R HA 0.552 4.892 4.340 -0.000 0.000 0.212 162 R C 1.506 177.762 176.300 -0.074 0.000 1.107 162 R CA 0.839 56.888 56.100 -0.085 0.000 1.025 162 R CB 0.139 30.370 30.300 -0.116 0.000 0.929 162 R HN 0.566 nan 8.270 nan 0.000 0.456 163 A N 0.364 123.146 122.820 -0.062 0.000 2.310 163 A HA 0.335 4.654 4.320 -0.000 0.000 0.299 163 A C 0.715 178.269 177.584 -0.049 0.000 1.147 163 A CA -0.458 51.550 52.037 -0.048 0.000 0.818 163 A CB 1.278 20.263 19.000 -0.026 0.000 1.096 163 A HN 0.154 nan 8.150 nan 0.000 0.495 164 S N 0.607 116.249 115.700 -0.096 0.000 2.387 164 S HA 0.286 4.756 4.470 -0.000 0.000 0.226 164 S C 0.857 175.458 174.600 0.002 0.000 1.026 164 S CA 1.215 59.307 58.200 -0.179 0.000 0.972 164 S CB -0.104 62.703 63.200 -0.655 0.000 0.814 164 S HN 1.406 nan 8.310 nan 0.000 0.477 165 A N 0.378 123.254 122.820 0.093 0.000 2.574 165 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 165 A C -1.498 176.167 177.584 0.135 0.000 1.062 165 A CA -0.526 51.629 52.037 0.197 0.000 0.686 165 A CB 1.487 20.719 19.000 0.386 0.000 1.285 165 A HN 0.057 nan 8.150 nan 0.000 0.403 166 V N 2.488 122.477 119.914 0.125 0.000 2.482 166 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 166 V C -0.741 175.365 176.094 0.020 0.000 1.026 166 V CA -0.163 62.198 62.300 0.101 0.000 0.856 166 V CB 1.206 33.135 31.823 0.177 0.000 1.001 166 V HN 0.737 nan 8.190 nan 0.000 0.424 167 L N 4.095 125.254 121.223 -0.106 0.000 2.341 167 L HA 0.818 5.158 4.340 -0.000 0.000 0.278 167 L C 0.753 177.478 176.870 -0.243 0.000 1.005 167 L CA -0.464 54.216 54.840 -0.267 0.000 0.818 167 L CB 2.037 43.842 42.059 -0.424 0.000 1.259 167 L HN 0.716 nan 8.230 nan 0.000 0.418 168 G N 0.797 109.461 108.800 -0.227 0.000 2.451 168 G HA2 0.717 4.677 3.960 -0.000 0.000 0.303 168 G HA3 0.717 4.677 3.960 -0.000 0.000 0.303 168 G C -0.365 174.482 174.900 -0.089 0.000 1.166 168 G CA -0.051 44.982 45.100 -0.113 0.000 0.884 168 G HN 0.623 nan 8.290 nan 0.000 0.514 169 T N -3.282 111.269 114.554 -0.006 0.000 2.671 169 T HA 0.485 4.835 4.350 -0.000 0.000 0.300 169 T C 0.179 174.843 174.700 -0.059 0.000 1.238 169 T CA 0.221 62.362 62.100 0.068 0.000 1.020 169 T CB 1.625 70.673 68.868 0.301 0.000 1.503 169 T HN 1.513 nan 8.240 nan 0.000 0.497 170 H N -1.892 117.015 119.070 -0.272 0.000 4.407 170 H HA -0.187 4.369 4.556 -0.000 0.000 0.114 170 H C 1.098 176.069 175.328 -0.594 0.000 0.643 170 H CA 2.349 58.003 56.048 -0.656 0.000 1.216 170 H CB -1.735 27.314 29.762 -1.189 0.000 0.587 170 H HN 0.678 nan 8.280 nan 0.000 0.633 171 T N -0.461 113.853 114.554 -0.399 0.000 3.043 171 T HA 0.021 4.371 4.350 -0.000 0.000 0.263 171 T C 0.499 175.061 174.700 -0.230 0.000 1.094 171 T CA 0.991 62.888 62.100 -0.338 0.000 1.127 171 T CB -0.233 68.558 68.868 -0.127 0.000 0.905 171 T HN 0.781 nan 8.240 nan 0.000 0.490 172 H N -1.360 117.647 119.070 -0.105 0.000 2.992 172 H HA -0.107 4.449 4.556 -0.000 0.000 0.266 172 H C -0.896 174.418 175.328 -0.025 0.000 1.200 172 H CA -0.158 55.836 56.048 -0.090 0.000 1.135 172 H CB -1.685 27.988 29.762 -0.149 0.000 1.282 172 H HN 0.160 nan 8.280 nan 0.000 0.351 173 V N 1.270 121.243 119.914 0.097 0.000 2.577 173 V HA 0.233 4.353 4.120 -0.000 0.000 0.294 173 V C -2.065 174.013 176.094 -0.027 0.000 1.052 173 V CA -1.368 60.980 62.300 0.079 0.000 0.891 173 V CB 2.233 34.093 31.823 0.062 0.000 1.017 173 V HN 0.002 nan 8.190 nan 0.000 0.436 174 P HA 0.097 nan 4.420 nan 0.000 0.265 174 P C -0.099 177.148 177.300 -0.087 0.000 1.193 174 P CA 0.398 63.412 63.100 -0.143 0.000 0.765 174 P CB 0.642 32.164 31.700 -0.295 0.000 0.823 175 T N 0.591 115.107 114.554 -0.064 0.000 2.829 175 T HA 0.316 4.666 4.350 -0.000 0.000 0.282 175 T C 0.345 175.024 174.700 -0.034 0.000 0.990 175 T CA -0.899 61.174 62.100 -0.045 0.000 1.028 175 T CB 0.962 69.804 68.868 -0.043 0.000 0.951 175 T HN 0.202 nan 8.240 nan 0.000 0.460 176 L N 3.462 124.675 121.223 -0.017 0.000 2.934 176 L HA 0.346 4.686 4.340 -0.000 0.000 0.233 176 L C 0.126 177.002 176.870 0.010 0.000 1.358 176 L CA 0.074 54.912 54.840 -0.003 0.000 1.233 176 L CB -0.699 41.359 42.059 -0.002 0.000 1.594 176 L HN 0.867 nan 8.230 nan 0.000 0.439 177 D N -0.516 119.887 120.400 0.006 0.000 2.620 177 D HA 0.182 4.822 4.640 -0.000 0.000 0.260 177 D C 0.477 176.797 176.300 0.034 0.000 1.367 177 D CA -0.124 53.898 54.000 0.037 0.000 0.805 177 D CB 0.049 40.892 40.800 0.072 0.000 1.096 177 D HN 0.227 nan 8.370 nan 0.000 0.488 178 A N 0.931 123.752 122.820 0.001 0.000 2.561 178 A HA 0.469 4.788 4.320 -0.000 0.000 0.251 178 A C 0.796 178.410 177.584 0.051 0.000 1.062 178 A CA 0.882 52.918 52.037 -0.000 0.000 0.761 178 A CB -0.330 18.671 19.000 0.002 0.000 0.986 178 A HN 0.530 nan 8.150 nan 0.000 0.510 179 T N 0.100 114.706 114.554 0.087 0.000 2.645 179 T HA 0.756 5.106 4.350 -0.000 0.000 0.300 179 T C -0.590 174.178 174.700 0.114 0.000 1.210 179 T CA -0.823 61.337 62.100 0.101 0.000 1.034 179 T CB 1.022 69.960 68.868 0.115 0.000 1.537 179 T HN 1.145 nan 8.240 nan 0.000 0.492 180 R N 0.525 121.080 120.500 0.092 0.000 2.621 180 R HA 0.742 5.082 4.340 -0.000 0.000 0.292 180 R C -0.848 175.477 176.300 0.042 0.000 0.969 180 R CA -1.051 55.095 56.100 0.077 0.000 0.887 180 R CB 1.307 31.649 30.300 0.069 0.000 1.180 180 R HN 0.627 nan 8.270 nan 0.000 0.450 181 L N 3.213 124.435 121.223 -0.002 0.000 2.456 181 L HA 0.291 4.631 4.340 -0.000 0.000 0.257 181 L C -1.411 175.451 176.870 -0.014 0.000 1.162 181 L CA -2.309 52.491 54.840 -0.066 0.000 0.808 181 L CB 0.698 42.623 42.059 -0.223 0.000 1.136 181 L HN 0.432 nan 8.230 nan 0.000 0.466 182 P HA -0.230 nan 4.420 nan 0.000 0.219 182 P C 0.660 177.969 177.300 0.016 0.000 1.161 182 P CA 1.533 64.650 63.100 0.027 0.000 0.909 182 P CB 0.098 31.828 31.700 0.051 0.000 0.793 183 K N -1.848 118.555 120.400 0.004 0.000 2.505 183 K HA 0.216 4.536 4.320 -0.000 0.000 0.192 183 K C 1.431 178.032 176.600 0.002 0.000 1.025 183 K CA 0.938 57.225 56.287 0.000 0.000 1.086 183 K CB -0.568 31.925 32.500 -0.011 0.000 0.840 183 K HN 0.327 nan 8.250 nan 0.000 0.514 184 G N 0.948 109.753 108.800 0.009 0.000 2.194 184 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 184 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 184 G C 0.228 175.148 174.900 0.033 0.000 0.987 184 G CA 0.138 45.253 45.100 0.025 0.000 0.635 184 G HN 0.270 nan 8.290 nan 0.000 0.520 185 T N 2.380 116.941 114.554 0.012 0.000 2.888 185 T HA 0.480 4.830 4.350 -0.000 0.000 0.301 185 T C 0.940 175.684 174.700 0.073 0.000 1.001 185 T CA 0.094 62.211 62.100 0.029 0.000 1.147 185 T CB 1.096 69.960 68.868 -0.007 0.000 0.931 185 T HN 0.352 nan 8.240 nan 0.000 0.541 186 L N 3.385 124.683 121.223 0.124 0.000 2.395 186 L HA 0.524 4.864 4.340 -0.000 0.000 0.269 186 L C -0.343 176.638 176.870 0.184 0.000 1.133 186 L CA -0.668 54.261 54.840 0.149 0.000 0.812 186 L CB 0.427 42.592 42.059 0.176 0.000 1.125 186 L HN 0.680 nan 8.230 nan 0.000 0.452 187 Y N 1.994 122.303 120.300 0.014 0.000 2.597 187 Y HA 0.456 5.005 4.550 -0.000 0.000 0.340 187 Y C -1.059 174.841 175.900 0.000 0.000 1.097 187 Y CA -0.691 57.405 58.100 -0.006 0.000 1.037 187 Y CB 1.922 40.361 38.460 -0.035 0.000 1.305 187 Y HN 0.569 nan 8.280 nan 0.000 0.463 188 Q N 3.164 122.203 119.800 -1.268 0.000 2.364 188 Q HA 0.205 4.545 4.340 -0.000 0.000 0.251 188 Q C -0.801 174.573 176.000 -1.044 0.000 0.927 188 Q CA -0.142 55.102 55.803 -0.930 0.000 0.924 188 Q CB 2.139 30.649 28.738 -0.380 0.000 1.419 188 Q HN 0.964 nan 8.270 nan 0.000 0.427 189 T N 1.890 116.001 114.554 -0.739 0.000 2.665 189 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 189 T C 0.109 174.709 174.700 -0.167 0.000 1.035 189 T CA 1.622 63.572 62.100 -0.250 0.000 1.151 189 T CB -0.032 68.842 68.868 0.010 0.000 0.862 189 T HN 0.507 nan 8.240 nan 0.000 0.438 190 D N -0.669 119.638 120.400 -0.154 0.000 2.891 190 D HA 0.234 4.874 4.640 -0.000 0.000 0.224 190 D C 0.601 176.854 176.300 -0.079 0.000 1.321 190 D CA -0.288 53.654 54.000 -0.098 0.000 0.929 190 D CB 2.010 42.779 40.800 -0.051 0.000 1.551 190 D HN -0.111 nan 8.370 nan 0.000 0.574 191 V N 2.422 122.299 119.914 -0.061 0.000 2.720 191 V HA 0.129 4.248 4.120 -0.000 0.000 0.256 191 V C 1.487 177.602 176.094 0.036 0.000 1.082 191 V CA 1.606 63.908 62.300 0.003 0.000 1.101 191 V CB -1.253 30.611 31.823 0.068 0.000 0.693 191 V HN 0.892 nan 8.190 nan 0.000 0.479 195 G N 0.949 109.784 108.800 0.059 0.000 2.335 195 G HA2 0.532 4.491 3.960 -0.000 0.000 0.291 195 G HA3 0.532 4.491 3.960 -0.000 0.000 0.291 195 G C -0.965 173.931 174.900 -0.007 0.000 1.261 195 G CA -0.018 45.075 45.100 -0.011 0.000 0.871 195 G HN 0.992 nan 8.290 nan 0.000 0.491 196 T N -0.003 114.514 114.554 -0.062 0.000 2.749 196 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 196 T C 0.252 174.846 174.700 -0.178 0.000 0.936 196 T CA -0.090 61.980 62.100 -0.050 0.000 1.060 196 T CB 0.226 69.107 68.868 0.021 0.000 0.904 196 T HN 0.356 nan 8.240 nan 0.000 0.500 197 Y N 2.889 123.037 120.300 -0.254 0.000 2.490 197 Y HA 0.166 4.716 4.550 -0.000 0.000 0.281 197 Y C 1.199 176.962 175.900 -0.229 0.000 1.174 197 Y CA 0.066 58.032 58.100 -0.225 0.000 1.295 197 Y CB -0.190 38.148 38.460 -0.203 0.000 1.062 197 Y HN 0.781 nan 8.280 nan 0.000 0.522 198 H N 0.202 119.319 119.070 0.077 0.000 2.799 198 H HA 0.321 4.877 4.556 -0.000 0.000 0.225 198 H C 0.227 175.546 175.328 -0.016 0.000 1.904 198 H CA 0.111 56.177 56.048 0.030 0.000 1.344 198 H CB -0.159 29.616 29.762 0.021 0.000 1.744 198 H HN 0.212 nan 8.280 nan 0.000 0.542 199 S N 0.795 116.512 115.700 0.029 0.000 2.764 199 S HA 0.268 4.737 4.470 -0.000 0.000 0.289 199 S C -1.523 173.018 174.600 -0.098 0.000 1.235 199 S CA -1.103 57.063 58.200 -0.055 0.000 1.081 199 S CB 1.207 64.335 63.200 -0.120 0.000 1.319 199 S HN 0.220 nan 8.310 nan 0.000 0.492 200 I N -0.779 119.662 120.570 -0.214 0.000 2.500 200 I HA 0.669 4.839 4.170 -0.000 0.000 0.286 200 I C -0.031 175.856 176.117 -0.384 0.000 1.063 200 I CA -0.813 60.345 61.300 -0.236 0.000 1.062 200 I CB 0.095 37.984 38.000 -0.185 0.000 1.223 200 I HN 0.797 nan 8.210 nan 0.000 0.435 201 I N 5.953 126.390 120.570 -0.222 0.000 6.045 201 I HA -0.238 3.932 4.170 -0.000 0.000 0.133 201 I C 1.445 177.427 176.117 -0.225 0.000 1.812 201 I CA 1.787 63.009 61.300 -0.130 0.000 2.105 201 I CB -1.613 36.397 38.000 0.018 0.000 3.414 201 I HN 1.262 nan 8.210 nan 0.000 0.192 202 G N -1.376 107.253 108.800 -0.285 0.000 2.195 202 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.246 202 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.246 202 G C 0.669 175.516 174.900 -0.087 0.000 0.984 202 G CA 0.029 45.014 45.100 -0.191 0.000 0.633 202 G HN 1.342 nan 8.290 nan 0.000 0.525 203 G N -0.241 108.401 108.800 -0.262 0.000 2.477 203 G HA2 0.568 4.527 3.960 -0.000 0.000 0.304 203 G HA3 0.568 4.527 3.960 -0.000 0.000 0.304 203 G C -0.040 174.712 174.900 -0.246 0.000 1.175 203 G CA -0.352 44.549 45.100 -0.331 0.000 0.907 203 G HN 0.417 nan 8.290 nan 0.000 0.509 204 E N -0.192 119.911 120.200 -0.162 0.000 2.414 204 E HA 0.019 4.368 4.350 -0.000 0.000 0.263 204 E C 1.361 177.976 176.600 0.026 0.000 1.000 204 E CA -0.433 55.931 56.400 -0.060 0.000 0.914 204 E CB 1.574 31.244 29.700 -0.051 0.000 0.948 204 E HN 0.163 nan 8.360 nan 0.000 0.444 205 V N 3.641 123.567 119.914 0.020 0.000 2.282 205 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 205 V C 2.002 178.166 176.094 0.116 0.000 1.057 205 V CA 1.825 64.162 62.300 0.062 0.000 1.032 205 V CB -0.481 31.367 31.823 0.042 0.000 0.645 205 V HN 0.625 nan 8.190 nan 0.000 0.447 206 E N 0.233 120.480 120.200 0.080 0.000 2.058 206 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 206 E C 2.300 178.959 176.600 0.099 0.000 0.997 206 E CA 1.926 58.372 56.400 0.077 0.000 0.801 206 E CB -0.973 28.752 29.700 0.041 0.000 0.746 206 E HN 0.638 nan 8.360 nan 0.000 0.450 207 T N 1.143 115.758 114.554 0.101 0.000 2.607 207 T HA -0.147 4.202 4.350 -0.000 0.000 0.267 207 T C 1.826 176.600 174.700 0.123 0.000 1.049 207 T CA 1.421 63.572 62.100 0.084 0.000 1.162 207 T CB -0.547 68.359 68.868 0.065 0.000 0.863 207 T HN 0.116 nan 8.240 nan 0.000 0.424 208 F N 0.252 120.227 119.950 0.041 0.000 2.234 208 F HA 0.051 4.578 4.527 -0.000 0.000 0.299 208 F C 2.069 178.002 175.800 0.222 0.000 1.087 208 F CA 0.159 58.233 58.000 0.123 0.000 1.340 208 F CB -0.198 38.919 39.000 0.196 0.000 1.031 208 F HN 0.062 nan 8.300 nan 0.000 0.500 209 L N 0.023 121.459 121.223 0.354 0.000 2.201 209 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 209 L C 2.299 179.291 176.870 0.203 0.000 1.105 209 L CA 1.591 56.603 54.840 0.286 0.000 0.775 209 L CB -1.015 41.146 42.059 0.171 0.000 0.913 209 L HN 0.051 nan 8.230 nan 0.000 0.440 210 A N -1.267 121.625 122.820 0.121 0.000 2.016 210 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 210 A C 2.395 179.981 177.584 0.003 0.000 1.162 210 A CA 0.728 52.797 52.037 0.053 0.000 0.662 210 A CB -0.433 18.580 19.000 0.021 0.000 0.812 210 A HN 0.294 nan 8.150 nan 0.000 0.450 211 R N -0.881 119.583 120.500 -0.059 0.000 2.092 211 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 211 R C 1.453 177.600 176.300 -0.256 0.000 1.119 211 R CA 1.396 57.358 56.100 -0.232 0.000 0.970 211 R CB -0.604 29.425 30.300 -0.452 0.000 0.864 211 R HN 0.570 nan 8.270 nan 0.000 0.440 212 F N 0.009 119.967 119.950 0.013 0.000 2.416 212 F HA 0.016 4.543 4.527 -0.000 0.000 0.296 212 F C 2.212 178.022 175.800 0.016 0.000 1.099 212 F CA 0.526 58.539 58.000 0.022 0.000 1.427 212 F CB -0.019 39.009 39.000 0.047 0.000 1.079 212 F HN -0.079 nan 8.300 nan 0.000 0.536 213 L N -0.636 120.694 121.223 0.179 0.000 2.162 213 L HA -0.088 4.251 4.340 -0.000 0.000 0.205 213 L C 2.509 179.414 176.870 0.058 0.000 1.086 213 L CA 1.665 56.571 54.840 0.109 0.000 0.778 213 L CB -0.669 41.444 42.059 0.089 0.000 0.928 213 L HN 0.234 nan 8.230 nan 0.000 0.446 214 T N -4.753 109.819 114.554 0.029 0.000 3.039 214 T HA 0.180 4.530 4.350 -0.000 0.000 0.250 214 T C 1.546 176.240 174.700 -0.010 0.000 1.052 214 T CA 0.636 62.740 62.100 0.007 0.000 1.125 214 T CB 0.609 69.474 68.868 -0.005 0.000 0.908 214 T HN 0.371 nan 8.240 nan 0.000 0.473 215 G N 1.579 110.359 108.800 -0.033 0.000 2.159 215 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.256 215 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.256 215 G C 0.114 174.977 174.900 -0.061 0.000 0.977 215 G CA 0.113 45.182 45.100 -0.052 0.000 0.652 215 G HN 0.729 nan 8.290 nan 0.000 0.531 216 R N 1.109 121.573 120.500 -0.059 0.000 2.540 216 R HA 0.542 4.882 4.340 -0.000 0.000 0.287 216 R C -2.079 174.174 176.300 -0.078 0.000 0.980 216 R CA -1.761 54.306 56.100 -0.055 0.000 0.966 216 R CB 1.352 31.631 30.300 -0.035 0.000 1.106 216 R HN 0.126 nan 8.270 nan 0.000 0.480 217 P HA -0.073 nan 4.420 nan 0.000 0.265 217 P C -1.210 176.043 177.300 -0.079 0.000 1.193 217 P CA 0.201 63.252 63.100 -0.082 0.000 0.765 217 P CB 0.851 32.518 31.700 -0.056 0.000 0.823 218 Q N 2.476 122.213 119.800 -0.105 0.000 2.292 218 Q HA 0.415 4.755 4.340 -0.000 0.000 0.270 218 Q C -2.326 173.628 176.000 -0.076 0.000 1.024 218 Q CA -1.800 53.948 55.803 -0.091 0.000 0.768 218 Q CB 1.205 29.870 28.738 -0.121 0.000 1.250 218 Q HN 0.401 nan 8.270 nan 0.000 0.447 219 P HA 0.069 nan 4.420 nan 0.000 0.268 219 P C -0.603 176.719 177.300 0.036 0.000 1.208 219 P CA -0.208 62.901 63.100 0.014 0.000 0.777 219 P CB 0.335 32.046 31.700 0.018 0.000 0.875 220 F N 3.035 122.973 119.950 -0.021 0.000 2.429 220 F HA 0.331 4.858 4.527 -0.000 0.000 0.348 220 F C 0.450 176.299 175.800 0.081 0.000 1.109 220 F CA -0.040 57.987 58.000 0.045 0.000 1.232 220 F CB 0.636 39.679 39.000 0.072 0.000 1.157 220 F HN 0.170 nan 8.300 nan 0.000 0.564 221 R N 4.471 124.413 120.500 -0.929 0.000 2.538 221 R HA 0.619 4.958 4.340 -0.000 0.000 0.292 221 R C -0.998 174.744 176.300 -0.930 0.000 1.008 221 R CA -1.109 54.630 56.100 -0.603 0.000 0.896 221 R CB 1.731 31.874 30.300 -0.261 0.000 1.187 221 R HN 0.781 nan 8.270 nan 0.000 0.440 222 A N 2.006 124.580 122.820 -0.410 0.000 2.371 222 A HA 0.633 4.953 4.320 -0.000 0.000 0.257 222 A C 0.052 177.567 177.584 -0.115 0.000 1.089 222 A CA -0.280 51.677 52.037 -0.132 0.000 0.794 222 A CB 0.601 19.689 19.000 0.147 0.000 1.029 222 A HN 0.778 nan 8.150 nan 0.000 0.488 223 A N 1.788 124.561 122.820 -0.079 0.000 2.304 223 A HA 0.619 4.939 4.320 -0.000 0.000 0.301 223 A C -0.145 177.434 177.584 -0.007 0.000 1.132 223 A CA -0.497 51.510 52.037 -0.050 0.000 0.819 223 A CB 0.446 19.414 19.000 -0.052 0.000 1.094 223 A HN 0.788 nan 8.150 nan 0.000 0.492 224 Q N -0.070 119.735 119.800 0.008 0.000 2.309 224 Q HA 0.736 5.076 4.340 -0.000 0.000 0.264 224 Q C 0.066 176.097 176.000 0.050 0.000 1.008 224 Q CA 0.081 55.900 55.803 0.027 0.000 0.853 224 Q CB 1.917 30.668 28.738 0.021 0.000 1.314 224 Q HN 1.321 nan 8.270 nan 0.000 0.448 225 G N 0.977 109.821 108.800 0.074 0.000 2.315 225 G HA2 0.152 4.112 3.960 -0.000 0.000 0.294 225 G HA3 0.152 4.112 3.960 -0.000 0.000 0.294 225 G C -1.362 173.624 174.900 0.143 0.000 1.300 225 G CA -0.887 44.288 45.100 0.124 0.000 0.843 225 G HN 0.217 nan 8.290 nan 0.000 0.527 226 K N 0.434 120.957 120.400 0.205 0.000 2.368 226 K HA 0.589 4.909 4.320 -0.000 0.000 0.282 226 K C 0.556 177.226 176.600 0.117 0.000 1.035 226 K CA 0.274 56.649 56.287 0.146 0.000 0.973 226 K CB 1.277 33.863 32.500 0.143 0.000 0.957 226 K HN 0.858 nan 8.250 nan 0.000 0.474 227 A N 4.176 127.047 122.820 0.086 0.000 2.261 227 A HA 0.673 4.992 4.320 -0.000 0.000 0.323 227 A C -0.244 177.389 177.584 0.082 0.000 1.107 227 A CA -0.613 51.484 52.037 0.100 0.000 0.883 227 A CB 0.945 20.027 19.000 0.138 0.000 1.251 227 A HN 0.684 nan 8.150 nan 0.000 0.502 228 R N -0.779 119.819 120.500 0.163 0.000 2.750 228 R HA 0.422 4.762 4.340 -0.000 0.000 0.281 228 R C -1.961 174.477 176.300 0.231 0.000 0.972 228 R CA -0.438 55.720 56.100 0.096 0.000 0.912 228 R CB 2.055 32.366 30.300 0.018 0.000 1.187 228 R HN 0.627 nan 8.270 nan 0.000 0.464 229 F N 3.473 123.473 119.950 0.084 0.000 2.361 229 F HA 0.320 4.847 4.527 -0.000 0.000 0.364 229 F C -0.511 175.318 175.800 0.048 0.000 1.120 229 F CA -0.355 57.768 58.000 0.205 0.000 1.102 229 F CB 0.520 39.772 39.000 0.420 0.000 1.183 229 F HN 0.343 nan 8.300 nan 0.000 0.476 230 H N 5.338 124.392 119.070 -0.027 0.000 2.539 230 H HA 0.783 5.339 4.556 -0.000 0.000 0.332 230 H C -0.715 174.560 175.328 -0.089 0.000 1.031 230 H CA -0.434 55.645 56.048 0.052 0.000 1.206 230 H CB 1.543 31.360 29.762 0.090 0.000 1.446 230 H HN 0.808 nan 8.280 nan 0.000 0.496 231 A N 2.367 125.311 122.820 0.207 0.000 2.568 231 A HA 0.716 5.036 4.320 -0.000 0.000 0.291 231 A C -0.884 176.829 177.584 0.216 0.000 1.159 231 A CA -0.662 51.453 52.037 0.131 0.000 0.679 231 A CB 1.764 20.770 19.000 0.009 0.000 1.285 231 A HN 0.499 nan 8.150 nan 0.000 0.428 232 T N 1.491 116.136 114.554 0.152 0.000 2.921 232 T HA 0.480 4.830 4.350 -0.000 0.000 0.297 232 T C -1.033 173.697 174.700 0.050 0.000 1.013 232 T CA -0.396 61.774 62.100 0.116 0.000 0.990 232 T CB 1.302 70.207 68.868 0.060 0.000 1.023 232 T HN 0.596 nan 8.240 nan 0.000 0.447 233 E N 2.473 122.709 120.200 0.060 0.000 2.301 233 E HA 0.551 4.901 4.350 -0.000 0.000 0.275 233 E C -0.775 175.796 176.600 -0.048 0.000 1.030 233 E CA -0.622 55.786 56.400 0.013 0.000 0.852 233 E CB 1.356 31.135 29.700 0.131 0.000 1.060 233 E HN 0.388 nan 8.360 nan 0.000 0.401 234 L N 2.414 123.539 121.223 -0.164 0.000 2.381 234 L HA 0.428 4.768 4.340 -0.000 0.000 0.274 234 L C -0.919 175.632 176.870 -0.530 0.000 0.988 234 L CA -1.085 53.525 54.840 -0.383 0.000 0.824 234 L CB 1.917 43.610 42.059 -0.610 0.000 1.263 234 L HN 0.274 nan 8.230 nan 0.000 0.410 235 V N 3.295 122.962 119.914 -0.412 0.000 2.370 235 V HA 0.473 4.593 4.120 -0.000 0.000 0.283 235 V C -0.810 175.167 176.094 -0.196 0.000 1.023 235 V CA -0.343 61.789 62.300 -0.280 0.000 0.857 235 V CB 1.339 33.116 31.823 -0.077 0.000 0.985 235 V HN 0.347 nan 8.190 nan 0.000 0.443 236 F N 2.988 122.815 119.950 -0.205 0.000 2.460 236 F HA 0.673 5.199 4.527 -0.000 0.000 0.341 236 F C 0.312 175.954 175.800 -0.264 0.000 1.130 236 F CA -1.345 56.417 58.000 -0.397 0.000 0.962 236 F CB 1.570 39.903 39.000 -1.112 0.000 1.171 236 F HN 0.487 nan 8.300 nan 0.000 0.436 237 E N 0.155 120.458 120.200 0.173 0.000 2.356 237 E HA 0.536 4.886 4.350 -0.000 0.000 0.275 237 E C 0.352 177.097 176.600 0.243 0.000 0.904 237 E CA -0.765 55.756 56.400 0.202 0.000 0.757 237 E CB 2.326 32.096 29.700 0.116 0.000 1.232 237 E HN 0.695 nan 8.360 nan 0.000 0.442 238 G N 1.088 110.021 108.800 0.222 0.000 2.166 238 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 238 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 238 G C 0.923 175.912 174.900 0.148 0.000 0.986 238 G CA 0.712 45.904 45.100 0.152 0.000 0.683 238 G HN 1.395 nan 8.290 nan 0.000 0.527 239 G N -2.157 106.800 108.800 0.262 0.000 2.157 239 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.248 239 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.248 239 G C 0.287 175.296 174.900 0.182 0.000 0.979 239 G CA 0.971 46.117 45.100 0.077 0.000 0.650 239 G HN 1.018 nan 8.290 nan 0.000 0.529 240 R N 0.117 120.777 120.500 0.268 0.000 2.740 240 R HA 0.553 4.893 4.340 -0.000 0.000 0.282 240 R C -2.765 173.660 176.300 0.209 0.000 0.969 240 R CA -2.507 53.697 56.100 0.174 0.000 0.918 240 R CB 1.658 32.025 30.300 0.111 0.000 1.175 240 R HN 0.116 nan 8.270 nan 0.000 0.464 241 P HA 0.076 nan 4.420 nan 0.000 0.276 241 P C 0.393 177.828 177.300 0.224 0.000 1.264 241 P CA -0.041 63.222 63.100 0.272 0.000 0.769 241 P CB 0.901 32.716 31.700 0.191 0.000 0.840 242 V N 2.990 123.041 119.914 0.228 0.000 2.599 242 V HA 0.217 4.337 4.120 -0.000 0.000 0.245 242 V C 1.095 177.247 176.094 0.097 0.000 1.046 242 V CA 1.845 64.223 62.300 0.132 0.000 1.065 242 V CB -0.330 31.554 31.823 0.102 0.000 0.703 242 V HN 0.780 nan 8.190 nan 0.000 0.464 243 A N -0.718 122.154 122.820 0.085 0.000 2.608 243 A HA 0.729 5.049 4.320 -0.000 0.000 0.292 243 A C -1.620 175.984 177.584 0.033 0.000 1.066 243 A CA -0.309 51.762 52.037 0.056 0.000 0.676 243 A CB 1.615 20.639 19.000 0.040 0.000 1.277 243 A HN 0.113 nan 8.150 nan 0.000 0.413 244 I N 0.713 121.308 120.570 0.042 0.000 2.533 244 I HA 0.713 4.882 4.170 -0.000 0.000 0.290 244 I C -1.115 175.029 176.117 0.044 0.000 1.056 244 I CA -0.244 61.075 61.300 0.032 0.000 1.057 244 I CB 2.059 40.085 38.000 0.042 0.000 1.240 244 I HN 0.531 nan 8.210 nan 0.000 0.423 245 S N 7.465 123.198 115.700 0.055 0.000 2.750 245 S HA 0.435 4.905 4.470 -0.000 0.000 0.276 245 S C -2.679 171.996 174.600 0.125 0.000 1.165 245 S CA -0.798 57.454 58.200 0.087 0.000 1.047 245 S CB 1.906 65.170 63.200 0.107 0.000 1.056 245 S HN 0.404 nan 8.310 nan 0.000 0.481 246 P HA 0.211 nan 4.420 nan 0.000 0.268 246 P C -1.271 176.164 177.300 0.226 0.000 1.205 246 P CA -0.027 63.161 63.100 0.147 0.000 0.771 246 P CB 0.236 31.993 31.700 0.096 0.000 0.858 247 Y N 3.279 123.671 120.300 0.153 0.000 2.446 247 Y HA 0.606 5.156 4.550 -0.000 0.000 0.345 247 Y C -1.221 174.806 175.900 0.211 0.000 0.984 247 Y CA -0.665 57.551 58.100 0.193 0.000 1.058 247 Y CB 1.529 40.136 38.460 0.245 0.000 1.220 247 Y HN 0.102 nan 8.280 nan 0.000 0.455 248 V N 4.711 124.391 119.914 -0.390 0.000 2.808 248 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 248 V C -1.745 174.149 176.094 -0.334 0.000 1.099 248 V CA -1.057 61.084 62.300 -0.266 0.000 0.920 248 V CB 1.873 33.558 31.823 -0.230 0.000 1.014 248 V HN 0.811 nan 8.190 nan 0.000 0.425 249 W N 3.361 124.486 121.300 -0.292 0.000 2.968 249 W HA 0.634 5.294 4.660 -0.000 0.000 0.337 249 W C -0.613 175.754 176.519 -0.253 0.000 1.060 249 W CA -0.181 56.953 57.345 -0.352 0.000 1.240 249 W CB 1.591 30.659 29.460 -0.653 0.000 1.370 249 W HN 0.619 nan 8.180 nan 0.000 0.459 250 E N 3.351 122.938 120.200 -1.021 0.000 2.231 250 E HA 0.105 4.455 4.350 -0.000 0.000 0.277 250 E C -0.727 174.950 176.600 -1.539 0.000 0.999 250 E CA -0.773 55.079 56.400 -0.913 0.000 0.827 250 E CB 1.857 31.233 29.700 -0.540 0.000 1.101 250 E HN 0.418 nan 8.360 nan 0.000 0.393 251 E N 4.521 124.119 120.200 -1.004 0.000 2.259 251 E HA 0.149 4.499 4.350 -0.000 0.000 0.281 251 E C -1.968 174.399 176.600 -0.387 0.000 1.037 251 E CA -1.780 54.162 56.400 -0.764 0.000 0.854 251 E CB 0.695 30.298 29.700 -0.162 0.000 1.051 251 E HN 0.269 nan 8.360 nan 0.000 0.409 252 P HA 0.000 nan 4.420 nan 0.000 0.216 252 P CA 0.000 63.014 63.100 -0.143 0.000 0.800 252 P CB 0.000 31.644 31.700 -0.093 0.000 0.726