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 2bo7_1_G DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLXX XXXDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N 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 0.000 174.380 174.600 -0.367 0.000 1.055 2 S CA 0.000 58.097 58.200 -0.172 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 3 L N 2.507 123.631 121.223 -0.164 0.000 2.289 3 L HA 0.787 5.127 4.340 -0.000 0.000 0.285 3 L C -1.078 175.687 176.870 -0.174 0.000 1.049 3 L CA -0.151 54.597 54.840 -0.152 0.000 0.804 3 L CB 1.123 43.256 42.059 0.123 0.000 1.195 3 L HN 0.513 nan 8.230 nan 0.000 0.428 4 V N 5.951 125.738 119.914 -0.211 0.000 2.417 4 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 4 V C -0.417 175.457 176.094 -0.366 0.000 1.024 4 V CA -0.606 61.520 62.300 -0.291 0.000 0.861 4 V CB 1.838 33.482 31.823 -0.298 0.000 0.985 4 V HN 0.556 nan 8.190 nan 0.000 0.436 5 V N 5.455 125.055 119.914 -0.523 0.000 2.495 5 V HA 0.548 4.668 4.120 -0.000 0.000 0.298 5 V C -0.895 174.939 176.094 -0.433 0.000 1.031 5 V CA -0.521 61.533 62.300 -0.411 0.000 0.871 5 V CB 1.780 33.295 31.823 -0.514 0.000 0.988 5 V HN 0.707 nan 8.190 nan 0.000 0.432 6 F N 6.171 126.175 119.950 0.090 0.000 2.382 6 F HA 0.491 5.018 4.527 -0.000 0.000 0.361 6 F C -2.238 173.709 175.800 0.245 0.000 1.109 6 F CA -2.381 55.709 58.000 0.149 0.000 1.031 6 F CB 2.033 41.066 39.000 0.055 0.000 1.234 6 F HN 0.291 nan 8.300 nan 0.000 0.445 7 P HA 0.262 nan 4.420 nan 0.000 0.286 7 P C -1.100 176.401 177.300 0.336 0.000 1.269 7 P CA -0.233 63.047 63.100 0.302 0.000 0.787 7 P CB 0.878 32.706 31.700 0.213 0.000 0.920 8 F N 1.360 121.377 119.950 0.111 0.000 2.576 8 F HA 0.686 5.213 4.527 -0.000 0.000 0.313 8 F C 0.452 176.264 175.800 0.020 0.000 1.078 8 F CA -1.136 56.905 58.000 0.067 0.000 0.921 8 F CB 1.886 40.922 39.000 0.060 0.000 1.232 8 F HN 0.191 nan 8.300 nan 0.000 0.459 9 K N 0.100 120.504 120.400 0.008 0.000 2.629 9 K HA 0.301 4.621 4.320 -0.000 0.000 0.239 9 K C -0.517 175.964 176.600 -0.198 0.000 1.102 9 K CA -0.255 55.875 56.287 -0.263 0.000 1.019 9 K CB 0.229 32.455 32.500 -0.457 0.000 1.481 9 K HN 0.748 nan 8.250 nan 0.000 0.455 10 H N 1.234 120.366 119.070 0.104 0.000 2.638 10 H HA 0.415 4.971 4.556 -0.000 0.000 0.317 10 H C -1.085 174.267 175.328 0.039 0.000 1.006 10 H CA -0.399 55.699 56.048 0.083 0.000 1.222 10 H CB 1.651 31.420 29.762 0.011 0.000 1.419 10 H HN 0.297 nan 8.280 nan 0.000 0.489 11 E N 0.743 121.023 120.200 0.132 0.000 2.429 11 E HA 0.255 4.604 4.350 -0.000 0.000 0.276 11 E C -1.039 175.501 176.600 -0.100 0.000 0.953 11 E CA -0.842 55.557 56.400 -0.002 0.000 0.787 11 E CB 1.533 31.269 29.700 0.060 0.000 1.307 11 E HN 0.529 nan 8.360 nan 0.000 0.458 12 H N 2.310 121.387 119.070 0.012 0.000 3.026 12 H HA 0.075 4.631 4.556 -0.000 0.000 0.289 12 H C -1.646 173.646 175.328 -0.061 0.000 1.022 12 H CA -1.036 55.001 56.048 -0.018 0.000 1.477 12 H CB 0.566 30.313 29.762 -0.025 0.000 1.510 12 H HN 0.326 nan 8.280 nan 0.000 0.535 13 P HA -0.255 nan 4.420 nan 0.000 0.216 13 P C 0.994 178.258 177.300 -0.060 0.000 1.157 13 P CA 1.499 64.567 63.100 -0.052 0.000 0.880 13 P CB 0.363 32.044 31.700 -0.031 0.000 0.791 14 E N -0.729 119.460 120.200 -0.019 0.000 2.110 14 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 14 E C 1.997 178.572 176.600 -0.041 0.000 0.988 14 E CA 0.889 57.268 56.400 -0.036 0.000 0.804 14 E CB -1.665 28.011 29.700 -0.040 0.000 0.745 14 E HN 0.069 nan 8.360 nan 0.000 0.458 15 V N 1.009 120.904 119.914 -0.032 0.000 2.255 15 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 15 V C 2.208 178.236 176.094 -0.111 0.000 1.051 15 V CA 1.761 64.035 62.300 -0.044 0.000 1.018 15 V CB -0.582 31.240 31.823 -0.001 0.000 0.641 15 V HN 0.225 nan 8.190 nan 0.000 0.445 16 L N -0.332 120.785 121.223 -0.177 0.000 2.017 16 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 16 L C 2.191 178.836 176.870 -0.375 0.000 1.073 16 L CA 1.805 56.436 54.840 -0.349 0.000 0.745 16 L CB -0.655 41.177 42.059 -0.379 0.000 0.894 16 L HN 0.205 nan 8.230 nan 0.000 0.432 17 L N -0.949 120.131 121.223 -0.238 0.000 2.083 17 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 17 L C 2.706 179.483 176.870 -0.154 0.000 1.083 17 L CA 1.588 56.313 54.840 -0.193 0.000 0.752 17 L CB -0.974 41.012 42.059 -0.122 0.000 0.899 17 L HN 0.524 nan 8.230 nan 0.000 0.433 18 H N 0.790 119.747 119.070 -0.189 0.000 2.290 18 H HA -0.173 4.383 4.556 -0.000 0.000 0.298 18 H C 1.941 177.173 175.328 -0.160 0.000 1.087 18 H CA 2.021 57.982 56.048 -0.145 0.000 1.291 18 H CB 0.190 29.881 29.762 -0.118 0.000 1.369 18 H HN 0.357 nan 8.280 nan 0.000 0.492 19 N N 0.522 119.009 118.700 -0.355 0.000 2.104 19 N HA -0.131 4.608 4.740 -0.000 0.000 0.190 19 N C 2.251 177.483 175.510 -0.463 0.000 1.024 19 N CA 1.138 53.890 53.050 -0.496 0.000 0.853 19 N CB -0.588 37.352 38.487 -0.912 0.000 1.008 19 N HN 0.188 nan 8.380 nan 0.000 0.424 20 V N 1.185 120.775 119.914 -0.541 0.000 2.332 20 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 20 V C 2.499 178.534 176.094 -0.098 0.000 1.055 20 V CA 1.545 63.693 62.300 -0.253 0.000 1.038 20 V CB -0.405 31.273 31.823 -0.241 0.000 0.651 20 V HN 0.225 nan 8.190 nan 0.000 0.450 21 R N -0.573 119.834 120.500 -0.155 0.000 2.092 21 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 21 R C 2.213 178.451 176.300 -0.102 0.000 1.119 21 R CA 1.261 57.293 56.100 -0.113 0.000 0.970 21 R CB -0.384 29.844 30.300 -0.121 0.000 0.864 21 R HN 0.393 nan 8.270 nan 0.000 0.440 22 V N 0.616 120.433 119.914 -0.161 0.000 2.255 22 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 22 V C 2.345 178.462 176.094 0.040 0.000 1.051 22 V CA 2.110 64.352 62.300 -0.096 0.000 1.018 22 V CB -0.770 30.975 31.823 -0.130 0.000 0.641 22 V HN 0.514 nan 8.190 nan 0.000 0.445 23 A N -0.222 122.690 122.820 0.153 0.000 1.908 23 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 23 A C 2.373 179.992 177.584 0.059 0.000 1.181 23 A CA 2.230 54.353 52.037 0.144 0.000 0.627 23 A CB -0.773 18.368 19.000 0.235 0.000 0.818 23 A HN 0.610 nan 8.150 nan 0.000 0.445 24 A N -0.503 122.342 122.820 0.041 0.000 1.968 24 A HA 0.282 4.602 4.320 -0.000 0.000 0.217 24 A C 2.341 179.934 177.584 0.015 0.000 1.169 24 A CA 1.661 53.708 52.037 0.016 0.000 0.638 24 A CB -0.718 18.287 19.000 0.009 0.000 0.812 24 A HN 1.038 nan 8.150 nan 0.000 0.446 25 A N -1.562 121.264 122.820 0.011 0.000 2.119 25 A HA 0.017 4.336 4.320 -0.000 0.000 0.216 25 A C 1.178 178.762 177.584 -0.001 0.000 1.152 25 A CA 0.175 52.209 52.037 -0.006 0.000 0.708 25 A CB -0.559 18.422 19.000 -0.031 0.000 0.805 25 A HN 0.593 nan 8.150 nan 0.000 0.460 26 H N 1.055 120.084 119.070 -0.068 0.000 2.848 26 H HA 0.129 4.685 4.556 -0.000 0.000 0.317 26 H C -1.579 173.700 175.328 -0.080 0.000 1.046 26 H CA -1.468 54.533 56.048 -0.078 0.000 1.470 26 H CB 1.303 31.005 29.762 -0.101 0.000 1.483 26 H HN 0.113 nan 8.280 nan 0.000 0.548 27 P HA -0.093 nan 4.420 nan 0.000 0.225 27 P C 0.739 178.089 177.300 0.083 0.000 1.148 27 P CA 1.094 64.204 63.100 0.017 0.000 0.779 27 P CB 0.292 31.959 31.700 -0.055 0.000 0.780 28 R N -0.741 119.911 120.500 0.252 0.000 2.334 28 R HA 0.200 4.540 4.340 -0.000 0.000 0.216 28 R C 0.146 176.200 176.300 -0.411 0.000 0.905 28 R CA -0.055 56.014 56.100 -0.052 0.000 1.064 28 R CB 0.481 30.816 30.300 0.058 0.000 1.046 28 R HN 0.056 nan 8.270 nan 0.000 0.508 29 V N 1.883 121.608 119.914 -0.315 0.000 2.383 29 V HA 0.083 4.203 4.120 -0.000 0.000 0.275 29 V C 0.642 176.476 176.094 -0.434 0.000 1.036 29 V CA -0.382 61.669 62.300 -0.415 0.000 0.889 29 V CB 1.279 32.953 31.823 -0.248 0.000 0.985 29 V HN 0.270 nan 8.190 nan 0.000 0.459 30 H N 2.638 121.453 119.070 -0.424 0.000 2.654 30 H HA 0.379 4.935 4.556 -0.000 0.000 0.264 30 H C 0.550 175.591 175.328 -0.477 0.000 0.954 30 H CA 0.232 55.934 56.048 -0.576 0.000 1.199 30 H CB 1.062 30.116 29.762 -1.179 0.000 1.446 30 H HN 0.709 nan 8.280 nan 0.000 0.516 31 E N 0.373 120.375 120.200 -0.331 0.000 2.375 31 E HA 0.404 4.754 4.350 -0.000 0.000 0.280 31 E C -1.682 174.887 176.600 -0.053 0.000 0.972 31 E CA -0.466 55.886 56.400 -0.079 0.000 0.782 31 E CB 2.544 32.318 29.700 0.123 0.000 1.229 31 E HN -0.170 nan 8.360 nan 0.000 0.439 32 V N 3.598 123.526 119.914 0.024 0.000 2.495 32 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 32 V C -0.792 175.335 176.094 0.056 0.000 1.031 32 V CA -0.812 61.509 62.300 0.035 0.000 0.871 32 V CB 1.515 33.387 31.823 0.081 0.000 0.988 32 V HN 0.566 nan 8.190 nan 0.000 0.432 33 L N 5.213 126.459 121.223 0.039 0.000 2.381 33 L HA 0.708 5.048 4.340 -0.000 0.000 0.274 33 L C -0.688 176.237 176.870 0.092 0.000 0.988 33 L CA 0.141 54.988 54.840 0.013 0.000 0.824 33 L CB 1.507 43.525 42.059 -0.068 0.000 1.263 33 L HN 0.763 nan 8.230 nan 0.000 0.410 34 C N 5.784 125.158 119.300 0.124 0.000 2.295 34 C HA 0.593 5.053 4.460 -0.000 0.000 0.331 34 C C 0.208 175.366 174.990 0.280 0.000 1.280 34 C CA -0.833 58.350 59.018 0.274 0.000 1.746 34 C CB 0.070 27.944 27.740 0.224 0.000 2.328 34 C HN 0.628 nan 8.230 nan 0.000 0.521 35 I N 3.235 123.974 120.570 0.281 0.000 2.355 35 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 35 I C 0.787 176.753 176.117 -0.252 0.000 0.999 35 I CA 0.298 61.649 61.300 0.086 0.000 1.163 35 I CB 1.248 39.299 38.000 0.084 0.000 1.316 35 I HN 0.847 nan 8.210 nan 0.000 0.454 36 G N 3.597 112.126 108.800 -0.453 0.000 2.412 36 G HA2 0.189 4.149 3.960 -0.000 0.000 0.318 36 G HA3 0.189 4.149 3.960 -0.000 0.000 0.318 36 G C -0.145 174.510 174.900 -0.408 0.000 1.146 36 G CA -0.225 44.242 45.100 -1.055 0.000 0.882 36 G HN 0.617 nan 8.290 nan 0.000 0.501 37 Y N 0.541 120.528 120.300 -0.522 0.000 2.153 37 Y HA 0.111 4.661 4.550 -0.000 0.000 0.289 37 Y C 1.332 177.102 175.900 -0.217 0.000 1.127 37 Y CA 1.773 59.685 58.100 -0.313 0.000 1.131 37 Y CB 0.285 38.542 38.460 -0.338 0.000 0.995 37 Y HN 0.659 nan 8.280 nan 0.000 0.505 38 E N -0.445 119.670 120.200 -0.142 0.000 2.445 38 E HA 0.260 4.610 4.350 -0.000 0.000 0.273 38 E C -0.946 175.570 176.600 -0.140 0.000 0.961 38 E CA -1.150 55.134 56.400 -0.193 0.000 0.807 38 E CB 1.123 30.768 29.700 -0.091 0.000 1.362 38 E HN 0.072 nan 8.360 nan 0.000 0.453 39 R N 1.551 121.901 120.500 -0.250 0.000 3.701 39 R HA 0.070 4.410 4.340 -0.000 0.000 0.210 39 R C -0.643 175.633 176.300 -0.040 0.000 1.598 39 R CA -0.067 55.814 56.100 -0.365 0.000 1.427 39 R CB -0.450 29.572 30.300 -0.464 0.000 1.339 39 R HN 0.484 nan 8.270 nan 0.000 0.720 40 D N 0.255 120.743 120.400 0.147 0.000 2.511 40 D HA -0.031 4.609 4.640 -0.000 0.000 0.283 40 D C 0.669 177.095 176.300 0.211 0.000 1.198 40 D CA -0.232 53.884 54.000 0.193 0.000 1.097 40 D CB 0.347 41.316 40.800 0.282 0.000 1.160 40 D HN 0.188 nan 8.370 nan 0.000 0.589 41 Q N -1.101 118.803 119.800 0.173 0.000 2.049 41 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 41 Q C 2.069 178.148 176.000 0.131 0.000 0.971 41 Q CA 1.824 57.705 55.803 0.130 0.000 0.833 41 Q CB -0.269 28.516 28.738 0.079 0.000 0.896 41 Q HN 0.571 nan 8.270 nan 0.000 0.434 42 T N 0.388 115.030 114.554 0.146 0.000 2.624 42 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 42 T C 1.427 176.149 174.700 0.037 0.000 1.041 42 T CA 1.802 63.932 62.100 0.050 0.000 1.159 42 T CB -0.715 68.205 68.868 0.087 0.000 0.863 42 T HN 0.352 nan 8.240 nan 0.000 0.434 43 Y N 1.919 122.330 120.300 0.185 0.000 2.053 43 Y HA -0.222 4.328 4.550 -0.000 0.000 0.277 43 Y C 2.480 178.433 175.900 0.087 0.000 1.159 43 Y CA 1.882 60.123 58.100 0.234 0.000 1.125 43 Y CB -0.330 38.307 38.460 0.294 0.000 0.969 43 Y HN 0.329 nan 8.280 nan 0.000 0.492 44 E N -0.388 120.007 120.200 0.326 0.000 2.110 44 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 44 E C 2.334 178.970 176.600 0.061 0.000 0.988 44 E CA 0.812 57.331 56.400 0.199 0.000 0.804 44 E CB -0.333 29.464 29.700 0.161 0.000 0.745 44 E HN 0.575 nan 8.360 nan 0.000 0.458 45 A N 0.914 123.748 122.820 0.023 0.000 1.883 45 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 45 A C 2.509 180.042 177.584 -0.085 0.000 1.186 45 A CA 1.441 53.459 52.037 -0.032 0.000 0.624 45 A CB -0.767 18.207 19.000 -0.044 0.000 0.822 45 A HN 0.128 nan 8.150 nan 0.000 0.444 46 V N -0.153 119.666 119.914 -0.158 0.000 2.295 46 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 46 V C 2.498 178.497 176.094 -0.158 0.000 1.049 46 V CA 2.310 64.484 62.300 -0.210 0.000 1.024 46 V CB -0.839 30.777 31.823 -0.345 0.000 0.648 46 V HN 0.746 nan 8.190 nan 0.000 0.447 47 E N -0.065 120.039 120.200 -0.160 0.000 2.118 47 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 47 E C 2.480 179.058 176.600 -0.037 0.000 0.992 47 E CA 1.447 57.789 56.400 -0.097 0.000 0.804 47 E CB -0.051 29.630 29.700 -0.032 0.000 0.741 47 E HN 0.454 nan 8.360 nan 0.000 0.458 48 R N -0.501 119.985 120.500 -0.023 0.000 2.066 48 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 48 R C 2.318 178.604 176.300 -0.023 0.000 1.131 48 R CA 1.171 57.264 56.100 -0.011 0.000 0.955 48 R CB -0.202 30.096 30.300 -0.003 0.000 0.851 48 R HN 0.158 nan 8.270 nan 0.000 0.432 49 A N 0.729 123.523 122.820 -0.042 0.000 1.969 49 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 49 A C 2.273 179.833 177.584 -0.041 0.000 1.169 49 A CA 1.410 53.420 52.037 -0.044 0.000 0.635 49 A CB -0.523 18.439 19.000 -0.063 0.000 0.810 49 A HN 0.433 nan 8.150 nan 0.000 0.445 50 A N 0.745 123.536 122.820 -0.049 0.000 1.884 50 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 50 A C 0.303 177.879 177.584 -0.014 0.000 1.197 50 A CA 2.124 54.139 52.037 -0.037 0.000 0.637 50 A CB -1.856 17.117 19.000 -0.044 0.000 0.827 50 A HN 0.452 nan 8.150 nan 0.000 0.450 51 P HA -0.180 nan 4.420 nan 0.000 0.216 51 P C 1.550 178.853 177.300 0.004 0.000 1.153 51 P CA 1.457 64.561 63.100 0.005 0.000 0.858 51 P CB -0.034 31.671 31.700 0.007 0.000 0.789 52 E N -0.260 119.938 120.200 -0.003 0.000 2.031 52 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 52 E C 2.067 178.664 176.600 -0.006 0.000 0.994 52 E CA 1.102 57.499 56.400 -0.004 0.000 0.800 52 E CB -0.822 28.873 29.700 -0.009 0.000 0.752 52 E HN 0.190 nan 8.360 nan 0.000 0.447 53 I N 1.194 121.757 120.570 -0.013 0.000 2.163 53 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 53 I C 2.431 178.547 176.117 -0.002 0.000 1.085 53 I CA 1.697 62.988 61.300 -0.014 0.000 1.347 53 I CB -0.445 37.539 38.000 -0.028 0.000 1.044 53 I HN 0.087 nan 8.210 nan 0.000 0.408 54 S N 0.321 116.024 115.700 0.006 0.000 2.453 54 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 54 S C 2.031 176.644 174.600 0.022 0.000 1.005 54 S CA 0.513 58.725 58.200 0.020 0.000 0.949 54 S CB -0.390 62.830 63.200 0.032 0.000 0.774 54 S HN 0.388 nan 8.310 nan 0.000 0.510 55 R N 1.355 121.865 120.500 0.016 0.000 2.066 55 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 55 R C 2.478 178.786 176.300 0.013 0.000 1.131 55 R CA 1.245 57.354 56.100 0.016 0.000 0.955 55 R CB -0.622 29.686 30.300 0.012 0.000 0.851 55 R HN 0.514 nan 8.270 nan 0.000 0.432 56 A N -0.192 122.632 122.820 0.007 0.000 1.968 56 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 56 A C 1.936 179.523 177.584 0.005 0.000 1.169 56 A CA 1.842 53.881 52.037 0.004 0.000 0.638 56 A CB -0.318 18.681 19.000 -0.002 0.000 0.812 56 A HN 0.577 nan 8.150 nan 0.000 0.446 57 T N -5.859 108.700 114.554 0.008 0.000 3.001 57 T HA 0.421 4.771 4.350 -0.000 0.000 0.251 57 T C 1.489 176.202 174.700 0.022 0.000 1.040 57 T CA 1.079 63.185 62.100 0.010 0.000 0.985 57 T CB 0.363 69.234 68.868 0.006 0.000 1.011 57 T HN 1.604 nan 8.240 nan 0.000 0.509 58 G N 1.885 110.702 108.800 0.028 0.000 2.212 58 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.266 58 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.266 58 G C 0.317 175.250 174.900 0.055 0.000 0.978 58 G CA 0.587 45.711 45.100 0.040 0.000 0.632 58 G HN 1.305 nan 8.290 nan 0.000 0.537 59 T N 0.062 114.645 114.554 0.048 0.000 2.771 59 T HA 0.674 5.024 4.350 -0.000 0.000 0.281 59 T C -2.267 172.469 174.700 0.060 0.000 0.982 59 T CA -1.722 60.413 62.100 0.057 0.000 0.978 59 T CB 3.001 71.888 68.868 0.031 0.000 0.930 59 T HN 0.149 nan 8.240 nan 0.000 0.447 60 P HA 0.248 nan 4.420 nan 0.000 0.268 60 P C -0.795 176.555 177.300 0.082 0.000 1.205 60 P CA -0.322 62.837 63.100 0.098 0.000 0.771 60 P CB 0.723 32.515 31.700 0.153 0.000 0.858 61 V N 2.877 122.826 119.914 0.059 0.000 2.588 61 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 61 V C 0.239 176.347 176.094 0.023 0.000 1.042 61 V CA -0.313 62.009 62.300 0.038 0.000 0.877 61 V CB 1.786 33.616 31.823 0.012 0.000 0.996 61 V HN 0.829 nan 8.190 nan 0.000 0.425 62 S N 3.285 118.990 115.700 0.008 0.000 2.618 62 S HA 0.912 5.382 4.470 -0.000 0.000 0.277 62 S C -1.051 173.514 174.600 -0.059 0.000 1.138 62 S CA -0.816 57.370 58.200 -0.024 0.000 0.844 62 S CB 2.074 65.266 63.200 -0.012 0.000 1.127 62 S HN 0.583 nan 8.310 nan 0.000 0.474 63 V N 0.492 120.352 119.914 -0.090 0.000 2.815 63 V HA 0.809 4.929 4.120 -0.000 0.000 0.314 63 V C -0.320 175.757 176.094 -0.027 0.000 1.064 63 V CA -0.948 61.276 62.300 -0.126 0.000 0.952 63 V CB 1.423 32.981 31.823 -0.442 0.000 1.020 63 V HN 1.038 nan 8.190 nan 0.000 0.439 64 R N 2.006 122.552 120.500 0.077 0.000 2.680 64 R HA 0.564 4.904 4.340 -0.000 0.000 0.269 64 R C -1.831 174.624 176.300 0.259 0.000 1.026 64 R CA -1.003 55.206 56.100 0.181 0.000 0.889 64 R CB 1.516 31.840 30.300 0.042 0.000 1.241 64 R HN 0.383 nan 8.270 nan 0.000 0.463 65 L N 2.742 124.090 121.223 0.208 0.000 2.461 65 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 65 L C 0.818 177.689 176.870 0.003 0.000 1.197 65 L CA 0.199 55.064 54.840 0.041 0.000 0.836 65 L CB 0.375 42.389 42.059 -0.075 0.000 1.105 65 L HN 0.660 nan 8.230 nan 0.000 0.477 66 Q N 1.372 121.143 119.800 -0.049 0.000 2.392 66 Q HA 0.197 4.537 4.340 -0.000 0.000 0.262 66 Q C -0.689 175.292 176.000 -0.031 0.000 1.003 66 Q CA -0.227 55.559 55.803 -0.028 0.000 0.888 66 Q CB 0.716 29.427 28.738 -0.045 0.000 1.260 66 Q HN 0.502 nan 8.270 nan 0.000 0.435 67 E N 1.102 121.310 120.200 0.012 0.000 2.318 67 E HA 0.213 4.563 4.350 -0.000 0.000 0.265 67 E C -0.738 175.866 176.600 0.007 0.000 1.069 67 E CA -0.851 55.559 56.400 0.016 0.000 0.893 67 E CB 0.984 30.719 29.700 0.059 0.000 1.076 67 E HN 0.436 nan 8.360 nan 0.000 0.414 68 R N 2.620 123.118 120.500 -0.005 0.000 2.248 68 R HA 0.129 4.468 4.340 -0.000 0.000 0.337 68 R C -0.197 176.110 176.300 0.013 0.000 1.106 68 R CA 0.272 56.366 56.100 -0.009 0.000 0.959 68 R CB -0.211 30.074 30.300 -0.025 0.000 1.075 68 R HN 0.595 nan 8.270 nan 0.000 0.480 69 L N 2.542 123.779 121.223 0.023 0.000 2.672 69 L HA 0.432 4.772 4.340 -0.000 0.000 0.236 69 L C 1.213 178.084 176.870 0.001 0.000 1.092 69 L CA 0.036 54.895 54.840 0.032 0.000 0.887 69 L CB 0.541 42.650 42.059 0.084 0.000 1.168 69 L HN 0.707 nan 8.230 nan 0.000 0.502 70 G N -0.340 108.455 108.800 -0.008 0.000 2.753 70 G HA2 0.419 4.379 3.960 -0.000 0.000 0.285 70 G HA3 0.419 4.379 3.960 -0.000 0.000 0.285 70 G C 0.440 175.327 174.900 -0.021 0.000 1.344 70 G CA 0.547 45.635 45.100 -0.022 0.000 1.050 70 G HN 0.064 nan 8.290 nan 0.000 0.532 71 T N -2.442 112.098 114.554 -0.024 0.000 3.144 71 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 71 T C 0.365 175.055 174.700 -0.017 0.000 0.966 71 T CA -0.200 61.888 62.100 -0.019 0.000 0.907 71 T CB 0.045 68.901 68.868 -0.019 0.000 1.152 71 T HN 0.141 nan 8.240 nan 0.000 0.532 72 L N 1.170 122.381 121.223 -0.020 0.000 2.902 72 L HA 0.593 4.933 4.340 -0.000 0.000 0.229 72 L C 0.817 177.679 176.870 -0.014 0.000 1.324 72 L CA -1.436 53.396 54.840 -0.014 0.000 1.230 72 L CB 0.183 42.233 42.059 -0.015 0.000 2.134 72 L HN 0.176 nan 8.230 nan 0.000 0.567 73 R N 0.986 121.480 120.500 -0.009 0.000 2.570 73 R HA 0.125 4.465 4.340 -0.000 0.000 0.277 73 R C -2.240 174.045 176.300 -0.025 0.000 1.039 73 R CA -1.169 54.926 56.100 -0.008 0.000 1.065 73 R CB 0.351 30.651 30.300 0.000 0.000 0.964 73 R HN 0.222 nan 8.270 nan 0.000 0.428 74 P HA 0.138 nan 4.420 nan 0.000 0.268 74 P C -0.696 176.621 177.300 0.029 0.000 1.485 74 P CA 0.040 63.141 63.100 0.001 0.000 1.102 74 P CB 1.161 32.865 31.700 0.006 0.000 1.501 75 G N 2.349 111.099 108.800 -0.083 0.000 3.291 75 G HA2 0.158 4.118 3.960 -0.000 0.000 0.173 75 G HA3 0.158 4.118 3.960 -0.000 0.000 0.173 75 G C 0.694 175.429 174.900 -0.275 0.000 1.099 75 G CA -0.338 44.626 45.100 -0.228 0.000 0.794 75 G HN 0.193 nan 8.290 nan 0.000 0.651 76 K N -0.249 119.843 120.400 -0.514 0.000 2.097 76 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 76 K C 2.404 178.860 176.600 -0.239 0.000 1.049 76 K CA 1.657 57.694 56.287 -0.417 0.000 0.933 76 K CB -0.793 31.344 32.500 -0.604 0.000 0.717 76 K HN 0.396 nan 8.250 nan 0.000 0.442 77 G N 1.392 110.052 108.800 -0.234 0.000 2.491 77 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 77 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 77 G C 1.103 175.957 174.900 -0.075 0.000 1.180 77 G CA 1.336 46.334 45.100 -0.171 0.000 0.774 77 G HN 0.330 nan 8.290 nan 0.000 0.562 78 D N 0.478 120.841 120.400 -0.061 0.000 2.149 78 D HA -0.069 4.571 4.640 -0.000 0.000 0.198 78 D C 2.654 178.966 176.300 0.021 0.000 0.990 78 D CA 1.281 55.276 54.000 -0.008 0.000 0.839 78 D CB -0.776 40.010 40.800 -0.023 0.000 0.948 78 D HN 0.306 nan 8.370 nan 0.000 0.460 79 G N 0.272 109.065 108.800 -0.012 0.000 2.446 79 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 79 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 79 G C 1.662 176.627 174.900 0.107 0.000 1.168 79 G CA 0.695 45.808 45.100 0.021 0.000 0.771 79 G HN 0.231 nan 8.290 nan 0.000 0.551 80 M N 0.101 119.748 119.600 0.080 0.000 2.236 80 M HA 0.032 4.512 4.480 -0.000 0.000 0.266 80 M C 2.318 178.798 176.300 0.300 0.000 1.070 80 M CA 0.992 56.386 55.300 0.156 0.000 1.137 80 M CB -0.255 32.276 32.600 -0.116 0.000 1.378 80 M HN 0.255 nan 8.290 nan 0.000 0.426 81 N N -0.598 118.250 118.700 0.246 0.000 2.309 81 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 81 N C 1.391 177.101 175.510 0.334 0.000 1.018 81 N CA 1.285 54.545 53.050 0.351 0.000 0.876 81 N CB 0.011 38.678 38.487 0.299 0.000 0.972 81 N HN 0.265 nan 8.380 nan 0.000 0.434 82 T N 0.520 115.218 114.554 0.241 0.000 2.746 82 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 82 T C 2.079 176.916 174.700 0.229 0.000 1.039 82 T CA 1.175 63.398 62.100 0.204 0.000 1.142 82 T CB -0.251 68.699 68.868 0.136 0.000 0.866 82 T HN 0.318 nan 8.240 nan 0.000 0.444 83 A N 1.377 124.362 122.820 0.275 0.000 1.877 83 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 83 A C 2.188 179.966 177.584 0.323 0.000 1.186 83 A CA 1.199 53.414 52.037 0.297 0.000 0.620 83 A CB -0.923 18.284 19.000 0.345 0.000 0.822 83 A HN 0.335 nan 8.150 nan 0.000 0.443 84 L N -0.185 121.250 121.223 0.354 0.000 1.997 84 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 84 L C 2.637 179.499 176.870 -0.013 0.000 1.074 84 L CA 2.275 57.272 54.840 0.261 0.000 0.763 84 L CB -0.850 41.402 42.059 0.322 0.000 0.890 84 L HN 0.450 nan 8.230 nan 0.000 0.434 85 R N -1.846 118.524 120.500 -0.216 0.000 2.073 85 R HA -0.243 4.097 4.340 -0.000 0.000 0.234 85 R C 2.422 178.655 176.300 -0.112 0.000 1.134 85 R CA 1.916 57.738 56.100 -0.464 0.000 0.952 85 R CB -0.613 29.558 30.300 -0.215 0.000 0.850 85 R HN 0.400 nan 8.270 nan 0.000 0.433 86 Y N 0.518 120.804 120.300 -0.022 0.000 2.128 86 Y HA -0.311 4.238 4.550 -0.000 0.000 0.284 86 Y C 2.033 177.971 175.900 0.063 0.000 1.154 86 Y CA 2.110 60.231 58.100 0.035 0.000 1.149 86 Y CB -0.736 37.778 38.460 0.090 0.000 0.976 86 Y HN 0.129 nan 8.280 nan 0.000 0.505 87 F N 0.346 120.306 119.950 0.016 0.000 2.095 87 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 87 F C 1.822 177.534 175.800 -0.146 0.000 1.104 87 F CA 2.003 59.982 58.000 -0.035 0.000 1.232 87 F CB -0.730 38.305 39.000 0.058 0.000 0.987 87 F HN 0.090 nan 8.300 nan 0.000 0.475 88 L N -0.352 120.679 121.223 -0.321 0.000 2.109 88 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 88 L C 2.158 178.812 176.870 -0.360 0.000 1.086 88 L CA 1.503 56.083 54.840 -0.433 0.000 0.760 88 L CB -0.520 41.376 42.059 -0.271 0.000 0.910 88 L HN 0.150 nan 8.230 nan 0.000 0.437 89 E N -0.706 119.312 120.200 -0.304 0.000 2.415 89 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 89 E C 0.913 177.348 176.600 -0.275 0.000 1.007 89 E CA 0.257 56.515 56.400 -0.237 0.000 0.890 89 E CB 0.495 30.103 29.700 -0.154 0.000 0.891 89 E HN 0.448 nan 8.360 nan 0.000 0.496 90 E N 0.262 120.214 120.200 -0.413 0.000 2.676 90 E HA 0.048 4.398 4.350 -0.000 0.000 0.222 90 E C -0.043 176.223 176.600 -0.556 0.000 0.968 90 E CA 0.061 56.183 56.400 -0.464 0.000 1.090 90 E CB 1.355 30.738 29.700 -0.528 0.000 1.066 90 E HN 0.053 nan 8.360 nan 0.000 0.496 91 T N -2.473 111.739 114.554 -0.570 0.000 2.865 91 T HA 0.318 4.668 4.350 -0.000 0.000 0.294 91 T C 0.101 174.417 174.700 -0.640 0.000 1.119 91 T CA -0.697 61.029 62.100 -0.622 0.000 1.007 91 T CB 2.086 70.642 68.868 -0.520 0.000 1.225 91 T HN -0.234 nan 8.240 nan 0.000 0.515 92 Q N -0.289 119.015 119.800 -0.826 0.000 2.194 92 Q HA 0.375 4.715 4.340 -0.000 0.000 0.214 92 Q C -0.938 174.829 176.000 -0.389 0.000 0.838 92 Q CA -0.474 54.984 55.803 -0.575 0.000 0.972 92 Q CB 0.054 28.487 28.738 -0.509 0.000 1.131 92 Q HN 0.723 nan 8.270 nan 0.000 0.498 93 W N 0.179 121.441 121.300 -0.063 0.000 2.150 93 W HA 0.147 4.807 4.660 -0.000 0.000 0.341 93 W C 1.444 178.054 176.519 0.151 0.000 1.276 93 W CA -0.679 56.740 57.345 0.123 0.000 1.238 93 W CB 0.733 30.381 29.460 0.313 0.000 1.128 93 W HN 0.007 nan 8.180 nan 0.000 0.581 94 E N 0.814 121.307 120.200 0.489 0.000 2.318 94 E HA 0.074 4.423 4.350 -0.000 0.000 0.193 94 E C 0.132 176.960 176.600 0.379 0.000 0.998 94 E CA 0.695 57.292 56.400 0.329 0.000 0.859 94 E CB 0.244 30.085 29.700 0.234 0.000 0.812 94 E HN 0.422 nan 8.360 nan 0.000 0.492 95 R N -0.335 120.413 120.500 0.413 0.000 2.668 95 R HA 0.543 4.883 4.340 -0.000 0.000 0.272 95 R C -0.815 175.430 176.300 -0.092 0.000 1.019 95 R CA -0.518 55.676 56.100 0.158 0.000 0.894 95 R CB 2.410 32.745 30.300 0.058 0.000 1.228 95 R HN -0.063 nan 8.270 nan 0.000 0.460 96 I N 1.938 122.221 120.570 -0.477 0.000 2.465 96 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 96 I C -0.706 175.109 176.117 -0.504 0.000 1.014 96 I CA -0.650 60.230 61.300 -0.700 0.000 1.093 96 I CB 1.316 38.464 38.000 -1.419 0.000 1.267 96 I HN 0.631 nan 8.210 nan 0.000 0.431 97 H N 6.704 125.483 119.070 -0.485 0.000 2.479 97 H HA 0.402 4.958 4.556 -0.000 0.000 0.335 97 H C -1.448 173.457 175.328 -0.705 0.000 1.142 97 H CA -0.370 55.408 56.048 -0.450 0.000 1.234 97 H CB 1.840 31.438 29.762 -0.273 0.000 1.503 97 H HN 0.383 nan 8.280 nan 0.000 0.510 98 F N 1.625 121.349 119.950 -0.376 0.000 2.495 98 F HA 0.324 4.851 4.527 -0.000 0.000 0.327 98 F C -0.773 174.681 175.800 -0.577 0.000 1.103 98 F CA -0.617 57.182 58.000 -0.335 0.000 0.949 98 F CB 1.274 40.204 39.000 -0.118 0.000 1.142 98 F HN 0.400 nan 8.300 nan 0.000 0.457 99 Y N 0.669 121.022 120.300 0.088 0.000 2.492 99 Y HA 0.315 4.865 4.550 -0.000 0.000 0.346 99 Y C -0.407 175.635 175.900 0.236 0.000 0.997 99 Y CA -1.559 56.628 58.100 0.145 0.000 1.025 99 Y CB 1.202 39.629 38.460 -0.054 0.000 1.263 99 Y HN 0.443 nan 8.280 nan 0.000 0.454 100 D N 1.130 121.777 120.400 0.412 0.000 2.472 100 D HA 0.160 4.800 4.640 -0.000 0.000 0.237 100 D C 0.810 177.302 176.300 0.321 0.000 1.141 100 D CA 0.489 54.692 54.000 0.339 0.000 0.875 100 D CB 1.398 42.367 40.800 0.282 0.000 1.192 100 D HN 0.767 nan 8.370 nan 0.000 0.450 101 A N 2.668 125.660 122.820 0.287 0.000 2.067 101 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 101 A C 1.528 179.130 177.584 0.032 0.000 1.156 101 A CA 0.976 53.090 52.037 0.129 0.000 0.683 101 A CB -0.107 18.988 19.000 0.159 0.000 0.808 101 A HN 0.631 nan 8.150 nan 0.000 0.455 102 D N 0.037 120.512 120.400 0.125 0.000 2.355 102 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 102 D C 0.576 176.944 176.300 0.113 0.000 1.004 102 D CA -0.111 53.966 54.000 0.127 0.000 0.880 102 D CB -0.536 40.375 40.800 0.186 0.000 0.911 102 D HN 0.461 nan 8.370 nan 0.000 0.528 103 I N 1.886 122.503 120.570 0.078 0.000 2.741 103 I HA -0.076 4.094 4.170 -0.000 0.000 0.288 103 I C 1.473 177.593 176.117 0.004 0.000 1.192 103 I CA 0.582 61.909 61.300 0.045 0.000 1.426 103 I CB 0.879 38.856 38.000 -0.037 0.000 1.367 103 I HN 0.018 nan 8.210 nan 0.000 0.563 104 T N -1.064 113.512 114.554 0.036 0.000 3.010 104 T HA 0.033 4.383 4.350 -0.000 0.000 0.257 104 T C 0.962 175.672 174.700 0.018 0.000 1.020 104 T CA 0.227 62.333 62.100 0.010 0.000 0.938 104 T CB 0.060 68.920 68.868 -0.012 0.000 1.049 104 T HN 0.638 nan 8.240 nan 0.000 0.522 105 S N 0.495 116.222 115.700 0.044 0.000 2.574 105 S HA 0.400 4.870 4.470 -0.000 0.000 0.242 105 S C -0.180 174.397 174.600 -0.038 0.000 0.982 105 S CA -0.918 57.332 58.200 0.083 0.000 0.977 105 S CB -0.879 62.443 63.200 0.203 0.000 0.814 105 S HN 0.386 nan 8.310 nan 0.000 0.464 106 F N 2.605 122.280 119.950 -0.458 0.000 2.443 106 F HA 0.618 5.145 4.527 -0.000 0.000 0.353 106 F C 0.639 176.083 175.800 -0.594 0.000 1.101 106 F CA 0.100 57.497 58.000 -1.006 0.000 1.226 106 F CB 0.507 39.026 39.000 -0.802 0.000 1.140 106 F HN 0.308 nan 8.300 nan 0.000 0.557 107 G N 5.415 113.403 108.800 -1.354 0.000 2.690 107 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 107 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 107 G C -2.606 171.874 174.900 -0.700 0.000 1.403 107 G CA -1.179 43.524 45.100 -0.661 0.000 0.864 107 G HN 0.325 nan 8.290 nan 0.000 0.480 108 P HA -0.097 nan 4.420 nan 0.000 0.219 108 P C 0.853 178.160 177.300 0.013 0.000 1.146 108 P CA 0.895 63.920 63.100 -0.124 0.000 0.808 108 P CB 0.397 32.064 31.700 -0.056 0.000 0.779 109 D N -0.960 119.464 120.400 0.040 0.000 2.149 109 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 109 D C 1.801 178.240 176.300 0.231 0.000 0.990 109 D CA 1.027 55.115 54.000 0.148 0.000 0.839 109 D CB -0.416 40.468 40.800 0.140 0.000 0.948 109 D HN 0.172 nan 8.370 nan 0.000 0.460 110 W N 1.240 122.431 121.300 -0.183 0.000 2.335 110 W HA -0.083 4.577 4.660 -0.000 0.000 0.311 110 W C 2.485 179.075 176.519 0.119 0.000 1.213 110 W CA 0.255 57.541 57.345 -0.099 0.000 1.274 110 W CB -1.117 28.111 29.460 -0.386 0.000 1.148 110 W HN 0.008 nan 8.180 nan 0.000 0.498 111 I N -0.564 120.121 120.570 0.192 0.000 2.202 111 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 111 I C 2.312 178.535 176.117 0.176 0.000 1.091 111 I CA 1.750 63.121 61.300 0.119 0.000 1.368 111 I CB -1.130 36.602 38.000 -0.446 0.000 1.058 111 I HN -0.097 nan 8.210 nan 0.000 0.410 112 T N 1.008 115.695 114.554 0.222 0.000 2.635 112 T HA -0.217 4.132 4.350 -0.000 0.000 0.267 112 T C 1.890 176.707 174.700 0.195 0.000 1.040 112 T CA 1.480 63.731 62.100 0.251 0.000 1.156 112 T CB -0.237 68.776 68.868 0.243 0.000 0.863 112 T HN 0.303 nan 8.240 nan 0.000 0.430 113 K N 1.157 121.677 120.400 0.200 0.000 2.044 113 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 113 K C 2.707 179.398 176.600 0.151 0.000 1.049 113 K CA 1.390 57.775 56.287 0.162 0.000 0.927 113 K CB -0.408 32.188 32.500 0.161 0.000 0.713 113 K HN 0.317 nan 8.250 nan 0.000 0.443 114 A N 1.882 124.848 122.820 0.243 0.000 1.877 114 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 114 A C 2.031 179.677 177.584 0.103 0.000 1.186 114 A CA 1.464 53.587 52.037 0.143 0.000 0.620 114 A CB -0.317 18.833 19.000 0.250 0.000 0.822 114 A HN 0.212 nan 8.150 nan 0.000 0.443 115 E N 0.018 120.320 120.200 0.170 0.000 2.077 115 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 115 E C 1.930 178.590 176.600 0.099 0.000 0.989 115 E CA 1.469 57.947 56.400 0.130 0.000 0.800 115 E CB -0.324 29.464 29.700 0.147 0.000 0.746 115 E HN 0.784 nan 8.360 nan 0.000 0.452 116 E N 0.636 120.891 120.200 0.091 0.000 2.072 116 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 116 E C 2.066 178.692 176.600 0.043 0.000 0.985 116 E CA 0.891 57.334 56.400 0.071 0.000 0.801 116 E CB -0.091 29.642 29.700 0.055 0.000 0.750 116 E HN 0.187 nan 8.360 nan 0.000 0.452 117 A N 1.497 124.292 122.820 -0.041 0.000 1.933 117 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 117 A C 2.383 180.045 177.584 0.130 0.000 1.175 117 A CA 1.688 53.648 52.037 -0.128 0.000 0.628 117 A CB -0.617 18.174 19.000 -0.348 0.000 0.814 117 A HN 0.294 nan 8.150 nan 0.000 0.444 118 A N 0.040 122.919 122.820 0.100 0.000 1.933 118 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 118 A C 1.698 179.358 177.584 0.126 0.000 1.175 118 A CA 1.798 53.907 52.037 0.121 0.000 0.628 118 A CB -0.560 18.477 19.000 0.061 0.000 0.814 118 A HN 0.453 nan 8.150 nan 0.000 0.444 119 D N -1.085 119.389 120.400 0.124 0.000 2.182 119 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 119 D C 1.429 177.800 176.300 0.117 0.000 0.986 119 D CA 0.923 54.989 54.000 0.110 0.000 0.847 119 D CB -0.387 40.481 40.800 0.114 0.000 0.942 119 D HN 0.471 nan 8.370 nan 0.000 0.467 120 F N -0.048 119.896 119.950 -0.010 0.000 2.293 120 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 120 F C 1.909 177.623 175.800 -0.143 0.000 1.086 120 F CA 1.531 59.497 58.000 -0.055 0.000 1.375 120 F CB 0.384 39.372 39.000 -0.019 0.000 1.045 120 F HN 0.122 nan 8.300 nan 0.000 0.516 121 G N -2.448 106.351 108.800 -0.002 0.000 2.485 121 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.181 121 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.181 121 G C -0.033 174.808 174.900 -0.098 0.000 0.999 121 G CA -0.398 44.624 45.100 -0.130 0.000 0.721 121 G HN 0.188 nan 8.290 nan 0.000 0.486 122 Y N 0.877 121.223 120.300 0.076 0.000 2.550 122 Y HA 0.369 4.919 4.550 -0.000 0.000 0.343 122 Y C 1.884 177.807 175.900 0.037 0.000 1.245 122 Y CA 1.242 59.383 58.100 0.068 0.000 1.462 122 Y CB 1.105 39.618 38.460 0.088 0.000 1.340 122 Y HN 0.070 nan 8.280 nan 0.000 0.604 123 G N 1.758 110.677 108.800 0.197 0.000 2.545 123 G HA2 0.083 4.043 3.960 -0.000 0.000 0.212 123 G HA3 0.083 4.043 3.960 -0.000 0.000 0.212 123 G C -0.165 174.781 174.900 0.076 0.000 1.144 123 G CA 0.073 45.233 45.100 0.101 0.000 0.813 123 G HN 0.454 nan 8.290 nan 0.000 0.531 124 L N 1.260 122.539 121.223 0.093 0.000 2.436 124 L HA 0.629 4.969 4.340 -0.000 0.000 0.268 124 L C -1.596 175.290 176.870 0.027 0.000 0.974 124 L CA -0.613 54.245 54.840 0.029 0.000 0.826 124 L CB 2.498 44.561 42.059 0.007 0.000 1.291 124 L HN -0.160 nan 8.230 nan 0.000 0.406 125 V N 5.117 125.011 119.914 -0.034 0.000 2.444 125 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 125 V C -0.299 175.712 176.094 -0.137 0.000 1.022 125 V CA -0.650 61.606 62.300 -0.074 0.000 0.850 125 V CB 2.022 33.788 31.823 -0.095 0.000 0.992 125 V HN 0.720 nan 8.190 nan 0.000 0.426 126 R N 3.683 124.107 120.500 -0.126 0.000 2.393 126 R HA 0.549 4.889 4.340 -0.000 0.000 0.310 126 R C -0.691 175.519 176.300 -0.150 0.000 0.968 126 R CA -0.800 55.247 56.100 -0.089 0.000 0.867 126 R CB 1.431 31.717 30.300 -0.023 0.000 1.124 126 R HN 0.703 nan 8.270 nan 0.000 0.450 127 H N 2.823 121.897 119.070 0.007 0.000 2.582 127 H HA 0.146 4.702 4.556 -0.000 0.000 0.345 127 H C -0.508 174.621 175.328 -0.332 0.000 1.104 127 H CA 0.111 56.042 56.048 -0.194 0.000 1.390 127 H CB 1.133 30.776 29.762 -0.198 0.000 1.461 127 H HN 0.597 nan 8.280 nan 0.000 0.551 128 Y N 0.717 120.615 120.300 -0.669 0.000 2.588 128 Y HA 0.599 5.149 4.550 -0.000 0.000 0.343 128 Y C -2.055 173.265 175.900 -0.968 0.000 1.065 128 Y CA -1.615 56.102 58.100 -0.637 0.000 1.038 128 Y CB 1.011 39.383 38.460 -0.147 0.000 1.297 128 Y HN 0.290 nan 8.280 nan 0.000 0.467 129 F N 1.554 121.427 119.950 -0.128 0.000 2.620 129 F HA 0.742 5.269 4.527 -0.000 0.000 0.320 129 F C -2.445 173.327 175.800 -0.046 0.000 1.069 129 F CA -2.598 55.215 58.000 -0.310 0.000 0.953 129 F CB 1.790 40.696 39.000 -0.157 0.000 1.322 129 F HN 0.314 nan 8.300 nan 0.000 0.479 130 P HA 0.223 nan 4.420 nan 0.000 0.269 130 P C -0.963 176.495 177.300 0.264 0.000 1.209 130 P CA -0.176 63.082 63.100 0.263 0.000 0.776 130 P CB 0.930 32.721 31.700 0.151 0.000 0.876 131 R N 0.725 121.423 120.500 0.330 0.000 2.698 131 R HA 0.604 4.944 4.340 -0.000 0.000 0.275 131 R C -0.500 176.011 176.300 0.353 0.000 1.001 131 R CA -1.010 55.275 56.100 0.307 0.000 0.896 131 R CB 2.522 33.026 30.300 0.340 0.000 1.218 131 R HN 0.554 nan 8.270 nan 0.000 0.462 132 A N 0.867 123.849 122.820 0.271 0.000 2.445 132 A HA 0.105 4.425 4.320 -0.000 0.000 0.242 132 A C 1.347 179.121 177.584 0.317 0.000 1.075 132 A CA 0.380 52.584 52.037 0.278 0.000 0.777 132 A CB 0.342 19.455 19.000 0.188 0.000 1.013 132 A HN 0.873 nan 8.150 nan 0.000 0.493 133 S N 0.485 116.385 115.700 0.333 0.000 2.447 133 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 133 S C 1.133 175.876 174.600 0.239 0.000 1.006 133 S CA 1.606 59.936 58.200 0.217 0.000 0.957 133 S CB -0.706 62.575 63.200 0.136 0.000 0.773 133 S HN 1.278 nan 8.310 nan 0.000 0.507 134 T N -1.371 113.315 114.554 0.221 0.000 3.223 134 T HA 0.352 4.702 4.350 -0.000 0.000 0.259 134 T C -0.274 174.584 174.700 0.264 0.000 1.015 134 T CA -0.684 61.579 62.100 0.272 0.000 0.908 134 T CB -0.053 68.957 68.868 0.238 0.000 1.054 134 T HN 0.110 nan 8.240 nan 0.000 0.567 135 D N 1.178 121.723 120.400 0.242 0.000 2.437 135 D HA 0.612 5.252 4.640 -0.000 0.000 0.259 135 D C 0.850 177.302 176.300 0.254 0.000 1.118 135 D CA 0.091 54.235 54.000 0.240 0.000 1.017 135 D CB 1.390 42.332 40.800 0.237 0.000 1.120 135 D HN 0.256 nan 8.370 nan 0.000 0.541 136 A N 0.643 123.608 122.820 0.242 0.000 2.822 136 A HA -0.211 4.109 4.320 -0.000 0.000 0.287 136 A C 1.396 179.162 177.584 0.304 0.000 1.479 136 A CA 0.764 52.953 52.037 0.254 0.000 0.779 136 A CB -1.631 17.553 19.000 0.308 0.000 1.022 136 A HN 0.424 nan 8.150 nan 0.000 0.532 137 M N -1.148 118.611 119.600 0.266 0.000 2.419 137 M HA 0.047 4.527 4.480 -0.000 0.000 0.264 137 M C 1.997 178.574 176.300 0.462 0.000 1.082 137 M CA 1.487 56.942 55.300 0.259 0.000 1.119 137 M CB -0.801 31.838 32.600 0.066 0.000 1.398 137 M HN 0.719 nan 8.290 nan 0.000 0.453 138 I N -0.685 120.110 120.570 0.375 0.000 2.286 138 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 138 I C 2.238 178.420 176.117 0.108 0.000 1.104 138 I CA 1.071 62.474 61.300 0.171 0.000 1.397 138 I CB -0.738 37.216 38.000 -0.077 0.000 1.072 138 I HN 0.210 nan 8.210 nan 0.000 0.417 139 T N 0.124 114.711 114.554 0.054 0.000 2.635 139 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 139 T C 1.455 176.070 174.700 -0.143 0.000 1.040 139 T CA 2.049 64.093 62.100 -0.093 0.000 1.156 139 T CB -0.350 68.421 68.868 -0.162 0.000 0.863 139 T HN 0.392 nan 8.240 nan 0.000 0.430 140 W N 0.413 121.717 121.300 0.005 0.000 2.444 140 W HA 0.127 4.786 4.660 -0.000 0.000 0.308 140 W C 2.406 178.947 176.519 0.036 0.000 1.183 140 W CA 0.197 57.515 57.345 -0.046 0.000 1.340 140 W CB -0.165 29.194 29.460 -0.167 0.000 1.138 140 W HN 0.095 nan 8.180 nan 0.000 0.510 141 M N -0.747 119.058 119.600 0.343 0.000 2.492 141 M HA 0.066 4.546 4.480 -0.000 0.000 0.262 141 M C 1.512 178.205 176.300 0.655 0.000 1.090 141 M CA 1.335 56.868 55.300 0.389 0.000 1.110 141 M CB -0.938 31.711 32.600 0.082 0.000 1.407 141 M HN 0.155 nan 8.290 nan 0.000 0.470 142 I N -1.315 119.525 120.570 0.450 0.000 3.345 142 I HA -0.056 4.114 4.170 -0.000 0.000 0.258 142 I C 2.018 178.246 176.117 0.184 0.000 1.134 142 I CA 0.553 62.121 61.300 0.447 0.000 1.457 142 I CB -0.106 38.062 38.000 0.279 0.000 1.425 142 I HN 0.097 nan 8.210 nan 0.000 0.461 143 T N 1.047 115.581 114.554 -0.033 0.000 2.668 143 T HA -0.082 4.268 4.350 -0.000 0.000 0.258 143 T C 1.961 176.395 174.700 -0.443 0.000 1.051 143 T CA 1.196 63.096 62.100 -0.334 0.000 1.155 143 T CB -0.282 68.392 68.868 -0.324 0.000 0.864 143 T HN 0.166 nan 8.240 nan 0.000 0.413 144 R N 0.633 120.993 120.500 -0.234 0.000 2.096 144 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 144 R C 2.757 179.054 176.300 -0.005 0.000 1.127 144 R CA 1.489 57.520 56.100 -0.115 0.000 0.968 144 R CB -0.782 29.369 30.300 -0.248 0.000 0.861 144 R HN 0.317 nan 8.270 nan 0.000 0.440 145 T N 0.139 114.709 114.554 0.025 0.000 2.708 145 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 145 T C 1.913 176.424 174.700 -0.316 0.000 1.037 145 T CA 1.611 63.710 62.100 -0.001 0.000 1.146 145 T CB -0.557 68.377 68.868 0.109 0.000 0.865 145 T HN 0.544 nan 8.240 nan 0.000 0.435 146 G N 0.886 109.451 108.800 -0.392 0.000 2.446 146 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 146 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 146 G C 1.271 176.173 174.900 0.004 0.000 1.168 146 G CA 0.578 45.462 45.100 -0.359 0.000 0.771 146 G HN 0.387 nan 8.290 nan 0.000 0.551 147 F N 1.808 121.829 119.950 0.119 0.000 2.171 147 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 147 F C 3.002 178.916 175.800 0.190 0.000 1.090 147 F CA 0.296 58.483 58.000 0.311 0.000 1.293 147 F CB -0.950 38.179 39.000 0.215 0.000 1.013 147 F HN 0.274 nan 8.300 nan 0.000 0.486 148 A N -0.266 122.697 122.820 0.238 0.000 1.929 148 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 148 A C 2.299 179.904 177.584 0.035 0.000 1.176 148 A CA 1.080 53.192 52.037 0.124 0.000 0.628 148 A CB -0.927 18.139 19.000 0.110 0.000 0.816 148 A HN 0.368 nan 8.150 nan 0.000 0.444 149 L N -1.107 120.052 121.223 -0.107 0.000 2.240 149 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 149 L C 2.153 178.903 176.870 -0.200 0.000 1.106 149 L CA 0.632 55.348 54.840 -0.208 0.000 0.793 149 L CB -0.157 41.611 42.059 -0.486 0.000 0.927 149 L HN 0.350 nan 8.230 nan 0.000 0.446 150 L N -2.468 118.580 121.223 -0.292 0.000 2.425 150 L HA 0.055 4.395 4.340 -0.000 0.000 0.215 150 L C 0.435 176.828 176.870 -0.794 0.000 1.065 150 L CA 0.090 54.512 54.840 -0.696 0.000 0.842 150 L CB 0.255 41.544 42.059 -1.283 0.000 1.033 150 L HN 0.280 nan 8.230 nan 0.000 0.474 151 W N 0.972 122.346 121.300 0.123 0.000 1.683 151 W HA 0.301 4.961 4.660 -0.000 0.000 0.295 151 W C -1.982 174.591 176.519 0.090 0.000 0.865 151 W CA -1.286 56.128 57.345 0.115 0.000 2.079 151 W CB 0.102 29.624 29.460 0.105 0.000 2.263 151 W HN -0.048 nan 8.180 nan 0.000 0.427 152 P HA -0.186 nan 4.420 nan 0.000 0.220 152 P C 0.951 178.264 177.300 0.021 0.000 1.148 152 P CA 1.642 64.766 63.100 0.040 0.000 0.803 152 P CB 0.253 31.884 31.700 -0.116 0.000 0.782 153 H N -0.474 118.718 119.070 0.203 0.000 2.526 153 H HA 0.137 4.693 4.556 -0.000 0.000 0.274 153 H C 1.034 176.466 175.328 0.173 0.000 0.999 153 H CA 0.675 56.831 56.048 0.180 0.000 1.157 153 H CB 0.009 29.847 29.762 0.127 0.000 1.407 153 H HN 0.255 nan 8.280 nan 0.000 0.568 154 T N -2.361 112.361 114.554 0.280 0.000 2.937 154 T HA 0.171 4.521 4.350 -0.000 0.000 0.283 154 T C 1.187 176.001 174.700 0.191 0.000 1.012 154 T CA -0.755 61.445 62.100 0.167 0.000 0.997 154 T CB 2.439 71.349 68.868 0.069 0.000 1.136 154 T HN -0.123 nan 8.240 nan 0.000 0.551 155 E N -0.171 120.063 120.200 0.058 0.000 2.338 155 E HA 0.054 4.404 4.350 -0.000 0.000 0.197 155 E C 1.774 178.407 176.600 0.055 0.000 1.007 155 E CA 0.646 57.092 56.400 0.077 0.000 0.849 155 E CB -0.830 28.814 29.700 -0.092 0.000 0.774 155 E HN 0.670 nan 8.360 nan 0.000 0.506 156 L N 0.119 121.271 121.223 -0.118 0.000 1.971 156 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 156 L C 2.357 179.193 176.870 -0.057 0.000 1.072 156 L CA 1.870 56.488 54.840 -0.370 0.000 0.758 156 L CB -0.754 40.824 42.059 -0.801 0.000 0.889 156 L HN 0.216 nan 8.230 nan 0.000 0.433 157 S N -2.028 113.748 115.700 0.128 0.000 2.555 157 S HA -0.141 4.329 4.470 -0.000 0.000 0.230 157 S C 1.354 175.931 174.600 -0.038 0.000 0.978 157 S CA 0.189 58.464 58.200 0.124 0.000 0.934 157 S CB -0.650 62.574 63.200 0.040 0.000 0.766 157 S HN 0.482 nan 8.310 nan 0.000 0.533 158 W N 1.430 122.775 121.300 0.075 0.000 2.863 158 W HA 0.461 5.120 4.660 -0.000 0.000 0.258 158 W C 0.449 177.031 176.519 0.106 0.000 1.298 158 W CA -0.912 56.504 57.345 0.118 0.000 1.451 158 W CB -0.174 29.383 29.460 0.162 0.000 1.107 158 W HN 0.158 nan 8.180 nan 0.000 0.641 159 I N 2.143 122.805 120.570 0.153 0.000 2.598 159 I HA -0.109 4.061 4.170 -0.000 0.000 0.284 159 I C 1.653 177.765 176.117 -0.007 0.000 1.140 159 I CA 0.080 61.395 61.300 0.024 0.000 1.420 159 I CB 0.977 38.926 38.000 -0.086 0.000 1.387 159 I HN -0.038 nan 8.210 nan 0.000 0.553 160 E N 4.474 124.629 120.200 -0.075 0.000 2.031 160 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 160 E C 0.315 176.844 176.600 -0.119 0.000 0.994 160 E CA 1.549 57.865 56.400 -0.140 0.000 0.800 160 E CB 0.032 29.484 29.700 -0.414 0.000 0.752 160 E HN 0.617 nan 8.360 nan 0.000 0.447 161 Q N 0.142 119.917 119.800 -0.042 0.000 3.064 161 Q HA 0.153 4.493 4.340 -0.000 0.000 0.258 161 Q C -2.023 174.003 176.000 0.043 0.000 0.972 161 Q CA -1.254 54.558 55.803 0.016 0.000 0.761 161 Q CB 1.679 30.505 28.738 0.148 0.000 1.281 161 Q HN 0.032 nan 8.270 nan 0.000 0.455 162 P HA -0.129 nan 4.420 nan 0.000 0.230 162 P C 0.595 177.954 177.300 0.098 0.000 1.158 162 P CA 0.912 64.075 63.100 0.104 0.000 0.769 162 P CB 0.392 32.221 31.700 0.214 0.000 0.807 163 L N -1.338 119.921 121.223 0.059 0.000 2.592 163 L HA 0.249 4.589 4.340 -0.000 0.000 0.227 163 L C 1.402 178.342 176.870 0.117 0.000 1.127 163 L CA -0.286 54.595 54.840 0.068 0.000 0.884 163 L CB -0.713 41.359 42.059 0.022 0.000 1.065 163 L HN -0.082 nan 8.230 nan 0.000 0.457 164 G N 0.110 108.998 108.800 0.148 0.000 2.272 164 G HA2 0.208 4.168 3.960 -0.000 0.000 0.247 164 G HA3 0.208 4.168 3.960 -0.000 0.000 0.247 164 G C 0.955 175.986 174.900 0.218 0.000 1.272 164 G CA 0.152 45.384 45.100 0.219 0.000 0.921 164 G HN 0.318 nan 8.290 nan 0.000 0.495 165 G N 1.427 110.375 108.800 0.248 0.000 3.088 165 G HA2 0.245 4.205 3.960 -0.000 0.000 0.212 165 G HA3 0.245 4.205 3.960 -0.000 0.000 0.212 165 G C 0.281 175.345 174.900 0.273 0.000 1.173 165 G CA -0.145 45.090 45.100 0.226 0.000 0.779 165 G HN 0.545 nan 8.290 nan 0.000 0.540 166 E N 0.291 120.705 120.200 0.358 0.000 2.114 166 E HA 0.570 4.920 4.350 -0.000 0.000 0.266 166 E C -0.501 176.330 176.600 0.384 0.000 0.896 166 E CA -0.455 56.192 56.400 0.412 0.000 0.750 166 E CB 1.572 31.719 29.700 0.744 0.000 1.121 166 E HN 0.273 nan 8.360 nan 0.000 0.413 167 L N 0.264 121.593 121.223 0.177 0.000 2.720 167 L HA 0.652 4.992 4.340 -0.000 0.000 0.261 167 L C -1.563 175.272 176.870 -0.059 0.000 1.046 167 L CA -1.109 53.782 54.840 0.085 0.000 0.886 167 L CB 1.040 43.145 42.059 0.075 0.000 1.493 167 L HN 0.417 nan 8.230 nan 0.000 0.407 168 L N 1.851 122.985 121.223 -0.148 0.000 2.385 168 L HA 0.858 5.198 4.340 -0.000 0.000 0.273 168 L C -1.078 175.689 176.870 -0.172 0.000 0.990 168 L CA -0.558 54.103 54.840 -0.298 0.000 0.821 168 L CB 1.783 43.563 42.059 -0.466 0.000 1.279 168 L HN 0.926 nan 8.230 nan 0.000 0.412 169 M N 3.693 123.190 119.600 -0.172 0.000 2.591 169 M HA 0.629 5.109 4.480 -0.000 0.000 0.306 169 M C -0.914 175.346 176.300 -0.067 0.000 1.190 169 M CA -0.898 54.347 55.300 -0.092 0.000 0.889 169 M CB 2.102 34.658 32.600 -0.073 0.000 1.728 169 M HN 0.502 nan 8.290 nan 0.000 0.458 170 R N 0.624 121.135 120.500 0.019 0.000 2.549 170 R HA 0.495 4.835 4.340 -0.000 0.000 0.267 170 R C 0.651 177.062 176.300 0.185 0.000 1.045 170 R CA -0.862 55.297 56.100 0.098 0.000 1.115 170 R CB 1.230 31.582 30.300 0.086 0.000 1.121 170 R HN 0.953 nan 8.270 nan 0.000 0.543 171 R N 0.895 121.560 120.500 0.275 0.000 2.112 171 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 171 R C 1.911 178.311 176.300 0.167 0.000 1.137 171 R CA 2.509 58.783 56.100 0.290 0.000 0.944 171 R CB -0.269 30.097 30.300 0.111 0.000 0.857 171 R HN 0.877 nan 8.270 nan 0.000 0.435 172 E N 0.235 120.495 120.200 0.099 0.000 2.153 172 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 172 E C 2.005 178.647 176.600 0.070 0.000 0.988 172 E CA 1.429 57.868 56.400 0.066 0.000 0.811 172 E CB -0.451 29.273 29.700 0.040 0.000 0.746 172 E HN 0.354 nan 8.360 nan 0.000 0.466 173 V N 2.131 122.088 119.914 0.071 0.000 2.307 173 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 173 V C 2.748 178.877 176.094 0.059 0.000 1.045 173 V CA 1.864 64.192 62.300 0.046 0.000 1.024 173 V CB -0.902 30.934 31.823 0.022 0.000 0.651 173 V HN 0.430 nan 8.190 nan 0.000 0.449 174 A N 0.194 123.080 122.820 0.110 0.000 1.877 174 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 174 A C 2.459 180.155 177.584 0.187 0.000 1.186 174 A CA 2.225 54.355 52.037 0.156 0.000 0.620 174 A CB -0.938 18.252 19.000 0.316 0.000 0.822 174 A HN 0.577 nan 8.150 nan 0.000 0.443 175 A N -0.809 122.110 122.820 0.165 0.000 1.917 175 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 175 A C 2.242 179.916 177.584 0.150 0.000 1.182 175 A CA 2.225 54.350 52.037 0.147 0.000 0.633 175 A CB -0.546 18.503 19.000 0.082 0.000 0.819 175 A HN 0.559 nan 8.150 nan 0.000 0.448 176 M N -0.316 119.347 119.600 0.104 0.000 2.099 176 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 176 M C 2.015 178.368 176.300 0.088 0.000 1.067 176 M CA 1.700 57.047 55.300 0.077 0.000 1.124 176 M CB -0.817 31.811 32.600 0.047 0.000 1.353 176 M HN 0.435 nan 8.290 nan 0.000 0.410 177 L N -1.046 120.237 121.223 0.100 0.000 1.994 177 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 177 L C 2.581 179.555 176.870 0.173 0.000 1.071 177 L CA 1.560 56.474 54.840 0.123 0.000 0.745 177 L CB -1.184 40.917 42.059 0.069 0.000 0.892 177 L HN 0.265 nan 8.230 nan 0.000 0.431 178 Y N 0.981 121.339 120.300 0.096 0.000 2.274 178 Y HA -0.268 4.282 4.550 -0.000 0.000 0.290 178 Y C 2.465 178.414 175.900 0.083 0.000 1.145 178 Y CA 1.530 59.697 58.100 0.111 0.000 1.203 178 Y CB -0.004 38.528 38.460 0.120 0.000 0.984 178 Y HN 0.133 nan 8.280 nan 0.000 0.533 179 E N 0.669 120.917 120.200 0.080 0.000 2.153 179 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 179 E C 0.263 176.833 176.600 -0.050 0.000 0.988 179 E CA 0.903 57.305 56.400 0.004 0.000 0.811 179 E CB -0.394 29.341 29.700 0.058 0.000 0.746 179 E HN 0.347 nan 8.360 nan 0.000 0.466 180 D N -0.016 120.373 120.400 -0.018 0.000 2.339 180 D HA -0.058 4.582 4.640 -0.000 0.000 0.256 180 D C 0.974 177.254 176.300 -0.034 0.000 1.214 180 D CA 0.032 54.029 54.000 -0.005 0.000 0.877 180 D CB 1.123 41.947 40.800 0.039 0.000 1.111 180 D HN 0.007 nan 8.370 nan 0.000 0.478 181 E N 4.598 124.777 120.200 -0.035 0.000 2.097 181 E HA -0.258 4.091 4.350 -0.000 0.000 0.196 181 E C 1.500 178.082 176.600 -0.030 0.000 1.000 181 E CA 1.640 58.014 56.400 -0.043 0.000 0.804 181 E CB 0.074 29.756 29.700 -0.030 0.000 0.740 181 E HN 0.419 nan 8.360 nan 0.000 0.454 182 R N -0.205 120.288 120.500 -0.010 0.000 2.096 182 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 182 R C 2.570 178.865 176.300 -0.009 0.000 1.127 182 R CA 1.430 57.524 56.100 -0.010 0.000 0.968 182 R CB -0.608 29.693 30.300 0.003 0.000 0.861 182 R HN 0.363 nan 8.270 nan 0.000 0.440 183 V N -0.597 119.327 119.914 0.016 0.000 2.725 183 V HA 0.017 4.137 4.120 -0.000 0.000 0.247 183 V C 2.126 178.225 176.094 0.008 0.000 1.058 183 V CA 1.090 63.412 62.300 0.036 0.000 1.080 183 V CB -0.092 31.825 31.823 0.156 0.000 0.713 183 V HN 0.063 nan 8.190 nan 0.000 0.465 184 R N 2.090 122.576 120.500 -0.023 0.000 2.091 184 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 184 R C 2.514 178.786 176.300 -0.046 0.000 1.136 184 R CA 2.455 58.517 56.100 -0.063 0.000 0.959 184 R CB -0.725 29.486 30.300 -0.150 0.000 0.856 184 R HN 0.764 nan 8.270 nan 0.000 0.437 185 R N -0.977 119.497 120.500 -0.045 0.000 2.276 185 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 185 R C 0.590 176.865 176.300 -0.042 0.000 1.017 185 R CA 0.496 56.572 56.100 -0.039 0.000 1.010 185 R CB -0.108 30.171 30.300 -0.035 0.000 0.900 185 R HN -0.147 nan 8.270 nan 0.000 0.469 186 R N 1.930 122.399 120.500 -0.052 0.000 4.164 186 R HA 0.056 4.396 4.340 -0.000 0.000 0.195 186 R C 0.603 176.851 176.300 -0.086 0.000 1.712 186 R CA 0.199 56.258 56.100 -0.069 0.000 1.457 186 R CB -0.123 30.123 30.300 -0.089 0.000 1.387 186 R HN 0.485 nan 8.270 nan 0.000 0.785 187 S N -1.154 114.505 115.700 -0.068 0.000 2.474 187 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 187 S C 0.780 175.308 174.600 -0.120 0.000 0.997 187 S CA 0.655 58.809 58.200 -0.077 0.000 0.949 187 S CB -0.295 62.875 63.200 -0.051 0.000 0.766 187 S HN 0.561 nan 8.310 nan 0.000 0.517 188 D N 0.025 120.357 120.400 -0.113 0.000 2.406 188 D HA 0.130 4.770 4.640 -0.000 0.000 0.288 188 D C 0.699 176.890 176.300 -0.182 0.000 1.186 188 D CA -0.846 53.063 54.000 -0.151 0.000 1.098 188 D CB -0.757 40.015 40.800 -0.045 0.000 1.160 188 D HN 0.304 nan 8.370 nan 0.000 0.561 189 W N -0.447 120.814 121.300 -0.064 0.000 2.699 189 W HA 0.225 4.885 4.660 -0.000 0.000 0.249 189 W C 2.263 178.724 176.519 -0.096 0.000 1.280 189 W CA 0.326 57.626 57.345 -0.075 0.000 1.345 189 W CB -0.034 29.388 29.460 -0.062 0.000 1.128 189 W HN 0.537 nan 8.180 nan 0.000 0.642 190 G N 0.405 109.265 108.800 0.100 0.000 2.586 190 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 190 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 190 G C 1.333 176.194 174.900 -0.065 0.000 1.128 190 G CA 0.521 45.627 45.100 0.011 0.000 0.774 190 G HN 0.360 nan 8.290 nan 0.000 0.543 191 I N 0.257 120.750 120.570 -0.130 0.000 2.252 191 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 191 I C 2.070 177.929 176.117 -0.431 0.000 1.102 191 I CA 1.430 62.523 61.300 -0.345 0.000 1.385 191 I CB 0.012 37.722 38.000 -0.482 0.000 1.064 191 I HN 0.110 nan 8.210 nan 0.000 0.414 192 D N -0.078 120.192 120.400 -0.217 0.000 2.144 192 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 192 D C 2.015 178.331 176.300 0.027 0.000 0.984 192 D CA 1.814 55.764 54.000 -0.083 0.000 0.834 192 D CB -0.281 40.543 40.800 0.040 0.000 0.955 192 D HN 0.381 nan 8.370 nan 0.000 0.465 193 T N 1.966 116.537 114.554 0.030 0.000 2.684 193 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 193 T C 2.016 176.814 174.700 0.162 0.000 1.036 193 T CA 0.488 62.655 62.100 0.112 0.000 1.148 193 T CB -0.126 68.763 68.868 0.035 0.000 0.863 193 T HN 0.066 nan 8.240 nan 0.000 0.436 194 L N -0.123 121.127 121.223 0.046 0.000 2.027 194 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 194 L C 2.465 179.458 176.870 0.206 0.000 1.074 194 L CA 1.881 56.770 54.840 0.081 0.000 0.745 194 L CB -1.257 40.790 42.059 -0.021 0.000 0.898 194 L HN 0.303 nan 8.230 nan 0.000 0.433 195 Y N 0.726 121.060 120.300 0.056 0.000 2.081 195 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 195 Y C 2.908 178.828 175.900 0.034 0.000 1.163 195 Y CA 1.520 59.640 58.100 0.033 0.000 1.135 195 Y CB -1.588 36.868 38.460 -0.006 0.000 0.970 195 Y HN 0.209 nan 8.280 nan 0.000 0.498 196 T N 0.360 115.054 114.554 0.232 0.000 2.708 196 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 196 T C 1.750 176.460 174.700 0.016 0.000 1.037 196 T CA 1.503 63.675 62.100 0.120 0.000 1.146 196 T CB -0.745 68.232 68.868 0.182 0.000 0.865 196 T HN 0.300 nan 8.240 nan 0.000 0.435 197 F N 1.781 121.698 119.950 -0.055 0.000 2.084 197 F HA -0.095 4.432 4.527 -0.000 0.000 0.296 197 F C 2.412 178.091 175.800 -0.202 0.000 1.111 197 F CA 1.351 59.216 58.000 -0.225 0.000 1.224 197 F CB -0.533 38.369 39.000 -0.162 0.000 0.991 197 F HN 0.016 nan 8.300 nan 0.000 0.471 198 V N -0.389 119.595 119.914 0.116 0.000 2.548 198 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 198 V C 2.212 178.245 176.094 -0.101 0.000 1.055 198 V CA 2.349 64.660 62.300 0.017 0.000 1.065 198 V CB -1.323 30.587 31.823 0.145 0.000 0.681 198 V HN 0.594 nan 8.190 nan 0.000 0.462 199 T N -1.002 113.508 114.554 -0.073 0.000 2.746 199 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 199 T C 1.873 176.470 174.700 -0.172 0.000 1.039 199 T CA 1.971 64.016 62.100 -0.092 0.000 1.142 199 T CB -1.031 67.800 68.868 -0.061 0.000 0.866 199 T HN 0.385 nan 8.240 nan 0.000 0.444 200 V N 1.960 121.707 119.914 -0.280 0.000 2.427 200 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 200 V C 2.916 178.773 176.094 -0.395 0.000 1.051 200 V CA 2.027 64.115 62.300 -0.354 0.000 1.048 200 V CB -0.910 30.625 31.823 -0.480 0.000 0.666 200 V HN 0.566 nan 8.190 nan 0.000 0.456 201 Q N -0.596 118.889 119.800 -0.525 0.000 2.224 201 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 201 Q C 2.106 177.968 176.000 -0.229 0.000 0.970 201 Q CA 1.142 56.669 55.803 -0.459 0.000 0.865 201 Q CB 0.053 28.461 28.738 -0.550 0.000 0.922 201 Q HN 0.546 nan 8.270 nan 0.000 0.445 202 Q N -0.944 118.755 119.800 -0.168 0.000 2.451 202 Q HA 0.070 4.410 4.340 -0.000 0.000 0.206 202 Q C 0.904 176.856 176.000 -0.081 0.000 0.947 202 Q CA 0.887 56.634 55.803 -0.093 0.000 0.937 202 Q CB 0.651 29.354 28.738 -0.058 0.000 1.025 202 Q HN 0.577 nan 8.270 nan 0.000 0.511 203 G N 0.754 109.491 108.800 -0.105 0.000 2.176 203 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 203 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 203 G C 0.228 175.102 174.900 -0.044 0.000 1.024 203 G CA 0.302 45.357 45.100 -0.074 0.000 0.755 203 G HN 0.229 nan 8.290 nan 0.000 0.507 204 V N 1.329 121.216 119.914 -0.046 0.000 2.673 204 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 204 V C 1.357 177.462 176.094 0.020 0.000 1.046 204 V CA 0.535 62.829 62.300 -0.011 0.000 1.126 204 V CB 1.342 33.155 31.823 -0.016 0.000 0.934 204 V HN 1.072 nan 8.190 nan 0.000 0.487 205 S N 6.066 121.809 115.700 0.071 0.000 2.513 205 S HA 0.677 5.147 4.470 -0.000 0.000 0.276 205 S C -0.696 174.066 174.600 0.271 0.000 1.254 205 S CA -0.640 57.656 58.200 0.161 0.000 1.053 205 S CB 0.535 63.820 63.200 0.142 0.000 0.958 205 S HN 0.467 nan 8.310 nan 0.000 0.491 206 I N 3.163 123.896 120.570 0.272 0.000 2.509 206 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 206 I C -1.054 175.124 176.117 0.102 0.000 1.020 206 I CA -0.953 60.453 61.300 0.176 0.000 1.088 206 I CB 1.744 39.776 38.000 0.052 0.000 1.267 206 I HN 0.763 nan 8.210 nan 0.000 0.430 207 Y N 4.864 124.962 120.300 -0.337 0.000 2.376 207 Y HA 0.415 4.965 4.550 -0.000 0.000 0.340 207 Y C -0.651 175.081 175.900 -0.280 0.000 0.965 207 Y CA -0.574 57.172 58.100 -0.590 0.000 1.078 207 Y CB 1.584 39.257 38.460 -1.312 0.000 1.193 207 Y HN 0.498 nan 8.280 nan 0.000 0.452 208 E N 5.516 125.304 120.200 -0.686 0.000 2.073 208 E HA 0.270 4.619 4.350 -0.000 0.000 0.269 208 E C -1.029 175.337 176.600 -0.390 0.000 0.917 208 E CA -0.654 55.512 56.400 -0.390 0.000 0.757 208 E CB 1.015 30.519 29.700 -0.327 0.000 1.111 208 E HN 0.562 nan 8.360 nan 0.000 0.410 209 C N 3.305 122.529 119.300 -0.126 0.000 2.637 209 C HA 0.093 4.553 4.460 -0.000 0.000 0.418 209 C C -0.106 174.879 174.990 -0.008 0.000 1.319 209 C CA -0.164 58.860 59.018 0.010 0.000 1.949 209 C CB -0.706 26.999 27.740 -0.058 0.000 2.639 209 C HN 0.643 nan 8.230 nan 0.000 0.594 210 Y N 4.369 124.531 120.300 -0.230 0.000 2.328 210 Y HA 0.602 5.152 4.550 -0.000 0.000 0.337 210 Y C -0.074 175.539 175.900 -0.477 0.000 1.008 210 Y CA -0.666 57.084 58.100 -0.582 0.000 1.129 210 Y CB 0.482 38.651 38.460 -0.483 0.000 1.185 210 Y HN 0.572 nan 8.280 nan 0.000 0.476 211 I N 9.913 129.799 120.570 -1.141 0.000 2.337 211 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 211 I C -1.602 173.986 176.117 -0.882 0.000 1.041 211 I CA -1.969 58.806 61.300 -0.875 0.000 1.199 211 I CB 1.611 39.023 38.000 -0.980 0.000 1.370 211 I HN 0.572 nan 8.210 nan 0.000 0.470 212 P HA -0.167 nan 4.420 nan 0.000 0.221 212 P C 0.972 178.140 177.300 -0.220 0.000 1.150 212 P CA 1.163 63.971 63.100 -0.486 0.000 0.800 212 P CB 0.139 31.575 31.700 -0.440 0.000 0.787 213 E N 0.508 120.636 120.200 -0.120 0.000 2.427 213 E HA 0.080 4.430 4.350 -0.000 0.000 0.196 213 E C 1.007 177.664 176.600 0.096 0.000 1.028 213 E CA 0.906 57.331 56.400 0.042 0.000 0.864 213 E CB -0.765 29.007 29.700 0.122 0.000 0.813 213 E HN 0.181 nan 8.360 nan 0.000 0.514 214 G N 1.629 110.465 108.800 0.060 0.000 2.756 214 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.678 214 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.678 214 G C -0.947 174.002 174.900 0.083 0.000 1.349 214 G CA -0.143 45.019 45.100 0.103 0.000 0.847 214 G HN 0.250 nan 8.290 nan 0.000 0.548 215 K N 0.493 120.758 120.400 -0.224 0.000 2.423 215 K HA 0.640 4.960 4.320 -0.000 0.000 0.234 215 K C 0.534 177.102 176.600 -0.053 0.000 1.051 215 K CA 0.074 56.174 56.287 -0.312 0.000 1.021 215 K CB 0.218 31.991 32.500 -1.212 0.000 1.474 215 K HN 1.335 nan 8.250 nan 0.000 0.474 216 A N 3.939 126.824 122.820 0.108 0.000 2.454 216 A HA 0.278 4.598 4.320 -0.000 0.000 0.260 216 A C -0.475 177.238 177.584 0.214 0.000 1.106 216 A CA 0.024 52.157 52.037 0.159 0.000 0.780 216 A CB -0.233 18.833 19.000 0.111 0.000 1.044 216 A HN 1.023 nan 8.150 nan 0.000 0.498 217 H N 0.465 119.555 119.070 0.033 0.000 2.928 217 H HA 0.670 5.225 4.556 -0.000 0.000 0.285 217 H C -0.136 175.226 175.328 0.057 0.000 1.438 217 H CA -1.192 54.882 56.048 0.043 0.000 1.176 217 H CB 0.737 30.530 29.762 0.052 0.000 1.864 217 H HN 0.662 nan 8.280 nan 0.000 0.567 218 R N 1.112 121.506 120.500 -0.177 0.000 2.537 218 R HA 0.252 4.592 4.340 -0.000 0.000 0.280 218 R C -1.052 175.018 176.300 -0.383 0.000 1.058 218 R CA -0.014 55.981 56.100 -0.175 0.000 1.057 218 R CB 0.178 30.476 30.300 -0.003 0.000 0.973 218 R HN 0.515 nan 8.270 nan 0.000 0.438 226 L N 1.560 122.732 121.223 -0.086 0.000 2.046 226 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 226 L C 2.326 179.102 176.870 -0.158 0.000 1.077 226 L CA 1.916 56.691 54.840 -0.107 0.000 0.747 226 L CB -0.158 41.915 42.059 0.023 0.000 0.896 226 L HN -0.034 nan 8.230 nan 0.000 0.432 227 R N -1.242 119.154 120.500 -0.173 0.000 2.083 227 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 227 R C 2.115 178.329 176.300 -0.143 0.000 1.137 227 R CA 2.283 58.242 56.100 -0.234 0.000 0.951 227 R CB -0.517 29.533 30.300 -0.417 0.000 0.851 227 R HN 0.427 nan 8.270 nan 0.000 0.434 228 T N 0.780 115.279 114.554 -0.091 0.000 2.684 228 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 228 T C 1.709 176.403 174.700 -0.011 0.000 1.036 228 T CA 1.639 63.744 62.100 0.009 0.000 1.148 228 T CB -0.164 68.770 68.868 0.111 0.000 0.863 228 T HN 0.273 nan 8.240 nan 0.000 0.436 229 M N 0.353 119.828 119.600 -0.208 0.000 2.117 229 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 229 M C 2.178 178.300 176.300 -0.297 0.000 1.065 229 M CA 1.373 56.391 55.300 -0.470 0.000 1.114 229 M CB -0.240 31.843 32.600 -0.862 0.000 1.361 229 M HN 0.229 nan 8.290 nan 0.000 0.408 230 L N 0.235 121.268 121.223 -0.318 0.000 1.989 230 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 230 L C 2.383 179.127 176.870 -0.210 0.000 1.071 230 L CA 2.200 56.809 54.840 -0.385 0.000 0.749 230 L CB -0.878 40.853 42.059 -0.546 0.000 0.890 230 L HN 0.369 nan 8.230 nan 0.000 0.431 231 V N -2.879 116.978 119.914 -0.095 0.000 2.407 231 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 231 V C 2.161 178.290 176.094 0.059 0.000 1.055 231 V CA 1.951 64.260 62.300 0.016 0.000 1.049 231 V CB -1.113 30.817 31.823 0.178 0.000 0.662 231 V HN 0.616 nan 8.190 nan 0.000 0.455 232 E N -0.335 119.901 120.200 0.059 0.000 2.152 232 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 232 E C 2.254 178.868 176.600 0.023 0.000 0.983 232 E CA 1.462 57.911 56.400 0.083 0.000 0.818 232 E CB -0.295 29.503 29.700 0.165 0.000 0.758 232 E HN 0.710 nan 8.360 nan 0.000 0.467 233 C N 0.568 119.857 119.300 -0.019 0.000 2.453 233 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 233 C C 2.410 177.346 174.990 -0.090 0.000 1.262 233 C CA 0.299 59.282 59.018 -0.059 0.000 1.718 233 C CB -0.909 26.773 27.740 -0.097 0.000 2.031 233 C HN 0.433 nan 8.230 nan 0.000 0.480 234 F N 2.396 122.207 119.950 -0.232 0.000 2.102 234 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 234 F C 2.348 177.987 175.800 -0.268 0.000 1.105 234 F CA 1.555 59.367 58.000 -0.314 0.000 1.239 234 F CB -0.605 38.079 39.000 -0.526 0.000 0.991 234 F HN 0.158 nan 8.300 nan 0.000 0.474 235 A N 0.555 123.235 122.820 -0.233 0.000 1.908 235 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 235 A C 2.458 179.902 177.584 -0.233 0.000 1.181 235 A CA 2.038 53.973 52.037 -0.171 0.000 0.627 235 A CB -1.645 17.399 19.000 0.075 0.000 0.818 235 A HN 0.550 nan 8.150 nan 0.000 0.445 236 A N -0.050 122.662 122.820 -0.179 0.000 1.873 236 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 236 A C 2.165 179.619 177.584 -0.217 0.000 1.193 236 A CA 1.739 53.682 52.037 -0.157 0.000 0.629 236 A CB -0.681 18.256 19.000 -0.104 0.000 0.826 236 A HN 0.510 nan 8.150 nan 0.000 0.447 237 I N -0.792 119.607 120.570 -0.285 0.000 2.226 237 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 237 I C 2.850 178.773 176.117 -0.324 0.000 1.100 237 I CA 1.825 62.973 61.300 -0.252 0.000 1.374 237 I CB -0.331 37.528 38.000 -0.236 0.000 1.057 237 I HN 0.550 nan 8.210 nan 0.000 0.413 238 Q N 0.664 120.110 119.800 -0.590 0.000 2.112 238 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 238 Q C 2.267 178.106 176.000 -0.268 0.000 0.987 238 Q CA 2.451 57.958 55.803 -0.493 0.000 0.858 238 Q CB -0.062 28.335 28.738 -0.568 0.000 0.905 238 Q HN 0.601 nan 8.270 nan 0.000 0.420 239 S N -0.484 115.087 115.700 -0.215 0.000 2.447 239 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 239 S C 1.645 176.168 174.600 -0.129 0.000 1.006 239 S CA 0.718 58.836 58.200 -0.136 0.000 0.957 239 S CB -0.145 62.986 63.200 -0.114 0.000 0.773 239 S HN 0.447 nan 8.310 nan 0.000 0.507 240 L N 1.509 122.633 121.223 -0.165 0.000 2.607 240 L HA 0.169 4.509 4.340 -0.000 0.000 0.228 240 L C 2.687 179.599 176.870 0.069 0.000 1.123 240 L CA 0.301 55.033 54.840 -0.179 0.000 0.890 240 L CB -0.375 41.373 42.059 -0.519 0.000 1.103 240 L HN 0.480 nan 8.230 nan 0.000 0.468 241 Q N -0.252 119.506 119.800 -0.070 0.000 2.297 241 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 241 Q C 1.089 176.945 176.000 -0.240 0.000 0.981 241 Q CA 1.493 57.166 55.803 -0.216 0.000 0.876 241 Q CB -0.245 28.237 28.738 -0.427 0.000 0.921 241 Q HN 0.542 nan 8.270 nan 0.000 0.446 242 H N 0.487 119.615 119.070 0.098 0.000 2.529 242 H HA 0.268 4.824 4.556 -0.000 0.000 0.277 242 H C -0.083 175.361 175.328 0.192 0.000 1.004 242 H CA -0.033 56.075 56.048 0.099 0.000 1.167 242 H CB 0.351 30.138 29.762 0.042 0.000 1.445 242 H HN 0.323 nan 8.280 nan 0.000 0.554 243 E N 1.427 121.862 120.200 0.392 0.000 2.383 243 E HA 0.120 4.470 4.350 -0.000 0.000 0.264 243 E C -0.058 176.866 176.600 0.540 0.000 1.050 243 E CA -0.201 56.449 56.400 0.415 0.000 0.896 243 E CB 2.221 32.158 29.700 0.394 0.000 0.982 243 E HN -0.087 nan 8.360 nan 0.000 0.424 244 V N 3.058 123.181 119.914 0.347 0.000 2.427 244 V HA 0.220 4.340 4.120 -0.000 0.000 0.286 244 V C -0.024 176.177 176.094 0.178 0.000 1.034 244 V CA -0.614 61.864 62.300 0.298 0.000 0.893 244 V CB 1.803 33.734 31.823 0.180 0.000 0.982 244 V HN 0.337 nan 8.190 nan 0.000 0.452 245 V N 4.176 124.182 119.914 0.154 0.000 2.487 245 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 245 V C 0.838 176.933 176.094 0.001 0.000 1.028 245 V CA -0.438 61.826 62.300 -0.059 0.000 0.860 245 V CB 1.601 33.227 31.823 -0.328 0.000 0.991 245 V HN 0.963 nan 8.190 nan 0.000 0.427 246 G N 3.515 112.292 108.800 -0.040 0.000 2.750 246 G HA2 0.231 4.191 3.960 -0.000 0.000 0.250 246 G HA3 0.231 4.191 3.960 -0.000 0.000 0.250 246 G C 0.130 175.019 174.900 -0.018 0.000 1.230 246 G CA -0.273 44.813 45.100 -0.022 0.000 0.883 246 G HN 0.899 nan 8.290 nan 0.000 0.573 247 Q N -0.131 119.666 119.800 -0.005 0.000 2.421 247 Q HA 0.287 4.627 4.340 -0.000 0.000 0.255 247 Q C -2.240 173.748 176.000 -0.020 0.000 1.013 247 Q CA -1.208 54.598 55.803 0.005 0.000 0.895 247 Q CB -0.215 28.526 28.738 0.005 0.000 1.271 247 Q HN 0.209 nan 8.270 nan 0.000 0.460 248 P HA -0.103 nan 4.420 nan 0.000 0.263 248 P C -1.027 176.255 177.300 -0.030 0.000 1.162 248 P CA 0.649 63.730 63.100 -0.031 0.000 0.758 248 P CB 0.323 32.008 31.700 -0.025 0.000 0.773 249 A N 3.463 126.261 122.820 -0.036 0.000 2.336 249 A HA 0.497 4.817 4.320 -0.000 0.000 0.291 249 A C 0.216 177.818 177.584 0.031 0.000 1.266 249 A CA -0.784 51.245 52.037 -0.012 0.000 0.891 249 A CB 0.143 19.129 19.000 -0.023 0.000 1.366 249 A HN 0.528 nan 8.150 nan 0.000 0.507 250 I N 1.170 121.777 120.570 0.061 0.000 2.598 250 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 250 I C 0.352 176.599 176.117 0.216 0.000 1.140 250 I CA 0.930 62.303 61.300 0.122 0.000 1.420 250 I CB 0.009 38.083 38.000 0.123 0.000 1.387 250 I HN 0.652 nan 8.210 nan 0.000 0.553 251 H N 7.463 126.568 119.070 0.058 0.000 3.181 251 H HA 0.467 5.023 4.556 -0.000 0.000 0.331 251 H C -1.245 174.078 175.328 -0.007 0.000 0.988 251 H CA -0.909 55.149 56.048 0.017 0.000 1.449 251 H CB 0.900 30.633 29.762 -0.048 0.000 1.749 251 H HN 0.609 nan 8.280 nan 0.000 0.501 252 R N 3.604 124.009 120.500 -0.157 0.000 2.750 252 R HA 0.267 4.607 4.340 -0.000 0.000 0.281 252 R C -1.049 174.936 176.300 -0.525 0.000 0.972 252 R CA -0.981 54.953 56.100 -0.276 0.000 0.912 252 R CB 2.949 33.290 30.300 0.067 0.000 1.187 252 R HN 0.657 nan 8.270 nan 0.000 0.464 253 Q N 0.865 120.367 119.800 -0.497 0.000 2.304 253 Q HA 0.325 4.665 4.340 -0.000 0.000 0.270 253 Q C -0.900 174.909 176.000 -0.318 0.000 1.035 253 Q CA -0.883 54.607 55.803 -0.522 0.000 0.781 253 Q CB 2.507 30.983 28.738 -0.438 0.000 1.261 253 Q HN 0.480 nan 8.270 nan 0.000 0.444 254 E N 2.599 122.588 120.200 -0.352 0.000 2.608 254 E HA -0.157 4.193 4.350 -0.000 0.000 0.259 254 E C -0.449 176.187 176.600 0.059 0.000 0.951 254 E CA 0.193 56.570 56.400 -0.039 0.000 0.945 254 E CB 0.537 30.270 29.700 0.055 0.000 0.916 254 E HN 0.526 nan 8.360 nan 0.000 0.477 255 H N 6.413 125.463 119.070 -0.034 0.000 2.886 255 H HA 0.130 4.686 4.556 -0.000 0.000 0.329 255 H C -2.185 173.039 175.328 -0.175 0.000 1.044 255 H CA -1.585 54.415 56.048 -0.080 0.000 1.456 255 H CB 0.667 30.379 29.762 -0.083 0.000 1.464 255 H HN 0.336 nan 8.280 nan 0.000 0.573 256 P HA 0.131 nan 4.420 nan 0.000 0.275 256 P C -0.233 176.616 177.300 -0.753 0.000 1.227 256 P CA -0.008 62.397 63.100 -1.158 0.000 0.781 256 P CB 1.236 32.454 31.700 -0.804 0.000 0.906 257 H N 0.720 119.388 119.070 -0.670 0.000 2.534 257 H HA 0.288 4.844 4.556 -0.000 0.000 0.364 257 H C 0.868 176.145 175.328 -0.087 0.000 1.328 257 H CA -0.754 55.196 56.048 -0.163 0.000 1.415 257 H CB 0.911 30.711 29.762 0.064 0.000 1.573 257 H HN 0.279 nan 8.280 nan 0.000 0.601 258 R N 0.918 121.496 120.500 0.130 0.000 2.590 258 R HA 0.060 4.400 4.340 -0.000 0.000 0.274 258 R C -0.443 175.913 176.300 0.093 0.000 1.061 258 R CA -0.379 55.774 56.100 0.088 0.000 1.081 258 R CB 0.606 30.943 30.300 0.061 0.000 0.984 258 R HN 0.308 nan 8.270 nan 0.000 0.448 259 V N 4.433 124.368 119.914 0.035 0.000 2.694 259 V HA 0.003 4.123 4.120 -0.000 0.000 0.306 259 V C -1.837 174.192 176.094 -0.109 0.000 1.054 259 V CA -1.108 61.154 62.300 -0.063 0.000 1.161 259 V CB -0.158 31.457 31.823 -0.347 0.000 0.916 259 V HN 0.699 nan 8.190 nan 0.000 0.490 260 P HA 0.124 nan 4.420 nan 0.000 0.266 260 P C 0.998 178.147 177.300 -0.251 0.000 1.195 260 P CA -0.121 62.869 63.100 -0.184 0.000 0.768 260 P CB 0.697 32.210 31.700 -0.311 0.000 0.838 261 V N 2.891 122.721 119.914 -0.139 0.000 2.287 261 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 261 V C 2.339 178.375 176.094 -0.096 0.000 1.053 261 V CA 2.330 64.573 62.300 -0.096 0.000 1.027 261 V CB -1.483 30.330 31.823 -0.017 0.000 0.646 261 V HN 0.793 nan 8.190 nan 0.000 0.447 262 H N -0.854 118.204 119.070 -0.019 0.000 2.457 262 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 262 H C 2.167 177.492 175.328 -0.006 0.000 1.092 262 H CA 2.068 58.111 56.048 -0.008 0.000 1.309 262 H CB -0.273 29.490 29.762 0.003 0.000 1.382 262 H HN 0.440 nan 8.280 nan 0.000 0.535 263 I N 1.359 121.660 120.570 -0.448 0.000 2.277 263 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 263 I C 3.061 179.103 176.117 -0.125 0.000 1.094 263 I CA 0.838 62.014 61.300 -0.207 0.000 1.393 263 I CB -0.390 37.459 38.000 -0.252 0.000 1.078 263 I HN 0.304 nan 8.210 nan 0.000 0.417 264 A N 0.228 122.899 122.820 -0.248 0.000 2.024 264 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 264 A C 1.804 179.342 177.584 -0.076 0.000 1.164 264 A CA 1.559 53.422 52.037 -0.291 0.000 0.643 264 A CB -0.531 18.187 19.000 -0.471 0.000 0.806 264 A HN 0.490 nan 8.150 nan 0.000 0.451 265 E N -0.577 119.595 120.200 -0.046 0.000 2.423 265 E HA 0.106 4.456 4.350 -0.000 0.000 0.198 265 E C 0.022 176.635 176.600 0.022 0.000 1.038 265 E CA -0.315 56.084 56.400 -0.002 0.000 1.011 265 E CB 0.104 29.805 29.700 0.001 0.000 1.118 265 E HN 0.747 nan 8.360 nan 0.000 0.451 266 R N -1.385 119.137 120.500 0.037 0.000 2.854 266 R HA 0.593 4.933 4.340 -0.000 0.000 0.271 266 R C -0.801 175.521 176.300 0.036 0.000 0.996 266 R CA -0.808 55.319 56.100 0.045 0.000 0.961 266 R CB 1.326 31.672 30.300 0.076 0.000 1.182 266 R HN -0.196 nan 8.270 nan 0.000 0.479 267 V N 2.359 122.279 119.914 0.011 0.000 2.347 267 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 267 V C 1.366 177.465 176.094 0.008 0.000 1.021 267 V CA -0.043 62.238 62.300 -0.031 0.000 0.847 267 V CB 1.274 33.030 31.823 -0.111 0.000 0.990 267 V HN 1.097 nan 8.190 nan 0.000 0.444 268 G N 4.619 113.458 108.800 0.066 0.000 2.549 268 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.222 268 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.222 268 G C 0.324 175.405 174.900 0.302 0.000 1.100 268 G CA 1.964 47.184 45.100 0.200 0.000 0.739 268 G HN 0.966 nan 8.290 nan 0.000 0.577 269 Y N -3.445 116.872 120.300 0.029 0.000 2.814 269 Y HA 0.510 5.060 4.550 -0.000 0.000 0.348 269 Y C -1.860 174.045 175.900 0.009 0.000 1.245 269 Y CA -1.987 56.128 58.100 0.025 0.000 1.086 269 Y CB 0.522 38.995 38.460 0.022 0.000 1.373 269 Y HN -0.127 nan 8.280 nan 0.000 0.451 270 D N 1.123 121.646 120.400 0.205 0.000 2.380 270 D HA 0.312 4.952 4.640 -0.000 0.000 0.230 270 D C 0.630 177.032 176.300 0.169 0.000 1.154 270 D CA -0.083 53.975 54.000 0.096 0.000 0.859 270 D CB 1.780 42.647 40.800 0.111 0.000 1.045 270 D HN 0.544 nan 8.370 nan 0.000 0.495 271 V N 4.271 124.177 119.914 -0.012 0.000 2.261 271 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 271 V C 2.375 178.521 176.094 0.087 0.000 1.047 271 V CA 1.780 64.106 62.300 0.044 0.000 1.015 271 V CB -0.490 31.262 31.823 -0.118 0.000 0.642 271 V HN 0.669 nan 8.190 nan 0.000 0.446 272 E N 0.143 120.375 120.200 0.054 0.000 2.070 272 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 272 E C 2.242 178.915 176.600 0.123 0.000 1.004 272 E CA 1.701 58.142 56.400 0.069 0.000 0.805 272 E CB -0.232 29.493 29.700 0.042 0.000 0.744 272 E HN 0.560 nan 8.360 nan 0.000 0.451 273 A N 0.180 123.083 122.820 0.138 0.000 1.902 273 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 273 A C 2.381 180.075 177.584 0.182 0.000 1.181 273 A CA 2.093 54.235 52.037 0.176 0.000 0.623 273 A CB -0.930 18.160 19.000 0.149 0.000 0.818 273 A HN 0.345 nan 8.150 nan 0.000 0.443 274 T N 0.664 115.320 114.554 0.169 0.000 2.708 274 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 274 T C 1.814 176.579 174.700 0.108 0.000 1.037 274 T CA 1.538 63.711 62.100 0.121 0.000 1.146 274 T CB -0.447 68.471 68.868 0.083 0.000 0.865 274 T HN 0.388 nan 8.240 nan 0.000 0.435 275 L N -0.009 121.288 121.223 0.124 0.000 2.042 275 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 275 L C 2.550 179.546 176.870 0.210 0.000 1.076 275 L CA 1.741 56.668 54.840 0.146 0.000 0.749 275 L CB -0.738 41.403 42.059 0.137 0.000 0.893 275 L HN 0.460 nan 8.230 nan 0.000 0.432 276 H N 0.011 119.134 119.070 0.089 0.000 2.290 276 H HA -0.235 4.321 4.556 -0.000 0.000 0.298 276 H C 2.471 177.859 175.328 0.099 0.000 1.087 276 H CA 1.417 57.516 56.048 0.085 0.000 1.291 276 H CB 0.274 30.077 29.762 0.068 0.000 1.369 276 H HN 0.026 nan 8.280 nan 0.000 0.492 277 R N 0.946 121.522 120.500 0.127 0.000 2.159 277 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 277 R C 2.170 178.551 176.300 0.134 0.000 1.131 277 R CA 0.857 57.004 56.100 0.078 0.000 0.982 277 R CB -0.890 29.518 30.300 0.180 0.000 0.868 277 R HN 0.359 nan 8.270 nan 0.000 0.453 278 L N -0.357 120.958 121.223 0.153 0.000 2.275 278 L HA 0.075 4.415 4.340 -0.000 0.000 0.215 278 L C 1.504 178.546 176.870 0.286 0.000 1.119 278 L CA 1.607 56.547 54.840 0.167 0.000 0.790 278 L CB -0.127 42.031 42.059 0.165 0.000 0.919 278 L HN 0.254 nan 8.230 nan 0.000 0.443 279 M N -1.588 118.184 119.600 0.287 0.000 2.383 279 M HA 0.137 4.617 4.480 -0.000 0.000 0.247 279 M C 0.138 176.662 176.300 0.373 0.000 1.117 279 M CA 0.156 55.692 55.300 0.393 0.000 0.995 279 M CB 0.306 33.075 32.600 0.282 0.000 1.480 279 M HN 0.158 nan 8.290 nan 0.000 0.485 280 Q N -0.956 118.935 119.800 0.152 0.000 2.306 280 Q HA 0.333 4.673 4.340 -0.000 0.000 0.269 280 Q C -0.330 175.611 176.000 -0.099 0.000 1.053 280 Q CA -0.974 54.795 55.803 -0.057 0.000 0.879 280 Q CB 1.096 29.623 28.738 -0.351 0.000 1.344 280 Q HN 0.196 nan 8.270 nan 0.000 0.464 281 H N -1.671 117.412 119.070 0.022 0.000 2.791 281 H HA -0.185 4.371 4.556 -0.000 0.000 0.302 281 H C -1.156 174.113 175.328 -0.098 0.000 1.198 281 H CA 0.587 56.611 56.048 -0.040 0.000 1.145 281 H CB -1.692 28.018 29.762 -0.087 0.000 1.385 281 H HN 0.516 nan 8.280 nan 0.000 0.409 282 W N 0.015 121.367 121.300 0.086 0.000 2.129 282 W HA 0.435 5.095 4.660 -0.000 0.000 0.349 282 W C 0.633 177.175 176.519 0.039 0.000 1.279 282 W CA 0.459 57.836 57.345 0.053 0.000 1.306 282 W CB 1.080 30.556 29.460 0.026 0.000 1.140 282 W HN 0.024 nan 8.180 nan 0.000 0.613 283 T N 1.531 116.300 114.554 0.358 0.000 3.159 283 T HA 0.136 4.486 4.350 -0.000 0.000 0.343 283 T C -2.121 172.683 174.700 0.173 0.000 1.364 283 T CA -0.891 61.318 62.100 0.181 0.000 1.102 283 T CB 1.742 70.660 68.868 0.084 0.000 1.263 283 T HN 0.003 nan 8.240 nan 0.000 0.477 284 P HA -0.035 nan 4.420 nan 0.000 0.216 284 P C 1.485 178.814 177.300 0.047 0.000 1.150 284 P CA 0.722 63.862 63.100 0.066 0.000 0.837 284 P CB 0.297 32.019 31.700 0.037 0.000 0.786 285 R N 0.078 120.593 120.500 0.025 0.000 2.096 285 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 285 R C 2.261 178.530 176.300 -0.051 0.000 1.127 285 R CA 1.550 57.638 56.100 -0.020 0.000 0.968 285 R CB -0.505 29.771 30.300 -0.039 0.000 0.861 285 R HN 0.208 nan 8.270 nan 0.000 0.440 286 Q N -0.556 119.238 119.800 -0.010 0.000 2.084 286 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 286 Q C 2.100 178.160 176.000 0.100 0.000 0.978 286 Q CA 1.717 57.507 55.803 -0.021 0.000 0.844 286 Q CB 0.096 28.839 28.738 0.007 0.000 0.898 286 Q HN 0.216 nan 8.270 nan 0.000 0.426 287 V N 1.004 121.033 119.914 0.192 0.000 2.407 287 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 287 V C 2.050 178.178 176.094 0.057 0.000 1.055 287 V CA 2.009 64.395 62.300 0.144 0.000 1.049 287 V CB -0.481 31.378 31.823 0.061 0.000 0.662 287 V HN 0.376 nan 8.190 nan 0.000 0.455 288 E N -0.256 119.957 120.200 0.022 0.000 2.046 288 E HA -0.181 4.168 4.350 -0.000 0.000 0.190 288 E C 2.166 178.759 176.600 -0.012 0.000 0.982 288 E CA 0.793 57.193 56.400 -0.000 0.000 0.800 288 E CB -0.047 29.645 29.700 -0.013 0.000 0.756 288 E HN 0.318 nan 8.360 nan 0.000 0.449 289 L N 0.996 122.174 121.223 -0.074 0.000 2.129 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 289 L C 2.178 179.088 176.870 0.067 0.000 1.087 289 L CA 1.417 56.174 54.840 -0.138 0.000 0.757 289 L CB -0.840 40.922 42.059 -0.495 0.000 0.896 289 L HN 0.308 nan 8.230 nan 0.000 0.434 290 L N -1.039 120.258 121.223 0.122 0.000 2.261 290 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 290 L C 2.317 179.354 176.870 0.279 0.000 1.114 290 L CA 0.508 55.509 54.840 0.269 0.000 0.777 290 L CB -0.342 41.794 42.059 0.127 0.000 0.910 290 L HN 0.223 nan 8.230 nan 0.000 0.440 291 E N 0.514 120.792 120.200 0.130 0.000 2.267 291 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 291 E C 1.960 178.589 176.600 0.049 0.000 0.998 291 E CA 1.036 57.479 56.400 0.073 0.000 0.830 291 E CB -0.188 29.527 29.700 0.026 0.000 0.751 291 E HN 0.461 nan 8.360 nan 0.000 0.491 292 L N -0.645 120.588 121.223 0.015 0.000 2.554 292 L HA 0.086 4.426 4.340 -0.000 0.000 0.226 292 L C 0.080 176.778 176.870 -0.286 0.000 1.137 292 L CA -0.119 54.596 54.840 -0.208 0.000 0.863 292 L CB 0.005 41.808 42.059 -0.428 0.000 0.985 292 L HN -0.018 nan 8.230 nan 0.000 0.451 293 F N -0.679 119.304 119.950 0.055 0.000 2.483 293 F HA 0.294 4.821 4.527 -0.000 0.000 0.329 293 F C 1.219 177.060 175.800 0.069 0.000 1.064 293 F CA -1.253 56.797 58.000 0.083 0.000 0.986 293 F CB 0.883 39.946 39.000 0.105 0.000 1.218 293 F HN -0.185 nan 8.300 nan 0.000 0.484 294 T N -2.050 112.668 114.554 0.273 0.000 2.908 294 T HA -0.005 4.345 4.350 -0.000 0.000 0.325 294 T C 1.141 175.934 174.700 0.156 0.000 1.092 294 T CA -0.112 62.096 62.100 0.180 0.000 1.125 294 T CB 0.489 69.466 68.868 0.181 0.000 1.016 294 T HN 0.691 nan 8.240 nan 0.000 0.550 295 T N 3.748 118.363 114.554 0.101 0.000 2.624 295 T HA -0.081 4.268 4.350 -0.000 0.000 0.268 295 T C -0.664 174.058 174.700 0.036 0.000 1.041 295 T CA 1.873 64.009 62.100 0.060 0.000 1.159 295 T CB -1.551 67.342 68.868 0.043 0.000 0.863 295 T HN 0.609 nan 8.240 nan 0.000 0.434 296 P HA -0.054 nan 4.420 nan 0.000 0.216 296 P C 1.662 178.936 177.300 -0.044 0.000 1.153 296 P CA 0.706 63.839 63.100 0.056 0.000 0.858 296 P CB -0.246 31.550 31.700 0.160 0.000 0.789 297 V N -0.170 119.789 119.914 0.074 0.000 2.323 297 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 297 V C 2.717 178.712 176.094 -0.165 0.000 1.041 297 V CA 1.827 64.148 62.300 0.036 0.000 1.025 297 V CB -1.022 30.956 31.823 0.259 0.000 0.656 297 V HN 0.044 nan 8.190 nan 0.000 0.451 298 R N 0.120 120.605 120.500 -0.025 0.000 2.080 298 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 298 R C 2.341 178.565 176.300 -0.127 0.000 1.137 298 R CA 1.980 58.064 56.100 -0.026 0.000 0.943 298 R CB -0.263 30.072 30.300 0.060 0.000 0.846 298 R HN 0.428 nan 8.270 nan 0.000 0.431 299 E N -0.271 119.837 120.200 -0.153 0.000 2.077 299 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 299 E C 1.903 178.310 176.600 -0.322 0.000 0.989 299 E CA 1.375 57.664 56.400 -0.185 0.000 0.800 299 E CB -0.618 29.003 29.700 -0.132 0.000 0.746 299 E HN 0.606 nan 8.360 nan 0.000 0.452 300 G N 1.693 110.122 108.800 -0.617 0.000 2.514 300 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 300 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 300 G C 1.641 176.126 174.900 -0.691 0.000 1.198 300 G CA 0.637 45.037 45.100 -1.167 0.000 0.780 300 G HN 0.225 nan 8.290 nan 0.000 0.565 301 L N 0.009 120.936 121.223 -0.492 0.000 2.083 301 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 301 L C 3.169 180.079 176.870 0.066 0.000 1.083 301 L CA 1.156 55.999 54.840 0.004 0.000 0.752 301 L CB -0.353 41.767 42.059 0.101 0.000 0.899 301 L HN 0.262 nan 8.230 nan 0.000 0.433 302 R N -0.974 119.469 120.500 -0.095 0.000 2.105 302 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 302 R C 2.022 178.169 176.300 -0.255 0.000 1.135 302 R CA 1.906 57.871 56.100 -0.224 0.000 0.967 302 R CB -0.405 29.782 30.300 -0.189 0.000 0.861 302 R HN 0.379 nan 8.270 nan 0.000 0.442 303 T N 0.151 114.605 114.554 -0.167 0.000 2.778 303 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 303 T C 1.847 176.502 174.700 -0.076 0.000 1.050 303 T CA 1.187 63.213 62.100 -0.122 0.000 1.137 303 T CB -0.380 68.432 68.868 -0.093 0.000 0.860 303 T HN 0.390 nan 8.240 nan 0.000 0.468 304 C N 1.745 121.050 119.300 0.008 0.000 2.443 304 C HA -0.039 4.421 4.460 -0.000 0.000 0.290 304 C C 2.668 177.700 174.990 0.070 0.000 1.476 304 C CA 0.183 59.291 59.018 0.150 0.000 1.772 304 C CB -1.418 26.555 27.740 0.389 0.000 1.714 304 C HN 0.618 nan 8.230 nan 0.000 0.562 305 Q N 0.023 119.631 119.800 -0.320 0.000 2.167 305 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 305 Q C 2.270 178.162 176.000 -0.180 0.000 0.970 305 Q CA 1.148 56.649 55.803 -0.503 0.000 0.855 305 Q CB -0.012 28.252 28.738 -0.789 0.000 0.911 305 Q HN 0.694 nan 8.270 nan 0.000 0.438 306 R N -0.035 120.393 120.500 -0.121 0.000 2.142 306 R HA 0.155 4.495 4.340 -0.000 0.000 0.204 306 R C 0.556 176.852 176.300 -0.007 0.000 1.059 306 R CA 0.393 56.457 56.100 -0.060 0.000 1.055 306 R CB 0.557 30.812 30.300 -0.075 0.000 0.976 306 R HN 0.087 nan 8.270 nan 0.000 0.483 307 R N 0.507 121.012 120.500 0.009 0.000 2.680 307 R HA 0.425 4.765 4.340 -0.000 0.000 0.269 307 R C -3.206 173.143 176.300 0.081 0.000 1.026 307 R CA -2.149 53.975 56.100 0.039 0.000 0.889 307 R CB 1.407 31.712 30.300 0.009 0.000 1.241 307 R HN -0.252 nan 8.270 nan 0.000 0.463 308 P HA 0.182 nan 4.420 nan 0.000 0.267 308 P C -1.234 176.152 177.300 0.143 0.000 1.205 308 P CA -0.022 63.198 63.100 0.199 0.000 0.765 308 P CB 1.203 33.056 31.700 0.254 0.000 0.828 309 A N 3.157 126.098 122.820 0.202 0.000 2.422 309 A HA 0.735 5.055 4.320 -0.000 0.000 0.302 309 A C -0.503 177.268 177.584 0.312 0.000 1.041 309 A CA -0.483 51.598 52.037 0.073 0.000 0.708 309 A CB 0.569 19.632 19.000 0.105 0.000 1.257 309 A HN 0.562 nan 8.150 nan 0.000 0.414 310 F N -0.232 119.824 119.950 0.177 0.000 3.064 310 F HA 0.231 4.758 4.527 -0.000 0.000 0.406 310 F C 0.836 176.469 175.800 -0.278 0.000 1.027 310 F CA -0.282 57.628 58.000 -0.149 0.000 0.960 310 F CB -0.397 38.510 39.000 -0.155 0.000 1.418 310 F HN 0.363 nan 8.300 nan 0.000 0.536 311 N N 2.248 120.801 118.700 -0.245 0.000 2.192 311 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 311 N C 1.694 177.193 175.510 -0.018 0.000 1.013 311 N CA 2.143 55.138 53.050 -0.092 0.000 0.863 311 N CB -0.667 37.745 38.487 -0.124 0.000 0.990 311 N HN 0.642 nan 8.380 nan 0.000 0.430 312 F N -0.380 119.580 119.950 0.016 0.000 2.293 312 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 312 F C 1.274 177.139 175.800 0.109 0.000 1.086 312 F CA 0.290 58.323 58.000 0.056 0.000 1.375 312 F CB -0.504 38.525 39.000 0.048 0.000 1.045 312 F HN -0.129 nan 8.300 nan 0.000 0.516 313 M N 3.402 122.522 119.600 -0.800 0.000 3.654 313 M HA 0.202 4.682 4.480 -0.000 0.000 0.212 313 M C -0.600 175.629 176.300 -0.119 0.000 1.354 313 M CA -1.153 53.849 55.300 -0.497 0.000 1.564 313 M CB -1.468 30.664 32.600 -0.781 0.000 1.056 313 M HN 0.342 nan 8.290 nan 0.000 0.608 314 D N -1.012 119.407 120.400 0.031 0.000 2.447 314 D HA 0.046 4.686 4.640 -0.000 0.000 0.265 314 D C 0.802 177.238 176.300 0.227 0.000 1.250 314 D CA -0.280 53.784 54.000 0.108 0.000 1.046 314 D CB 0.342 41.214 40.800 0.121 0.000 1.095 314 D HN 0.459 nan 8.370 nan 0.000 0.555 315 E N -1.254 119.103 120.200 0.262 0.000 2.068 315 E HA -0.277 4.073 4.350 -0.000 0.000 0.207 315 E C 1.897 178.761 176.600 0.441 0.000 1.032 315 E CA 1.795 58.404 56.400 0.348 0.000 0.839 315 E CB -0.040 29.788 29.700 0.215 0.000 0.758 315 E HN 0.366 nan 8.360 nan 0.000 0.457 316 M N -0.326 119.466 119.600 0.320 0.000 2.200 316 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 316 M C 2.285 178.753 176.300 0.281 0.000 1.066 316 M CA 1.348 56.826 55.300 0.297 0.000 1.127 316 M CB -1.220 31.512 32.600 0.219 0.000 1.379 316 M HN 0.201 nan 8.290 nan 0.000 0.420 317 A N -0.494 122.496 122.820 0.284 0.000 1.940 317 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 317 A C 2.198 179.998 177.584 0.359 0.000 1.176 317 A CA 1.509 53.728 52.037 0.304 0.000 0.631 317 A CB -1.305 17.878 19.000 0.306 0.000 0.814 317 A HN 0.760 nan 8.150 nan 0.000 0.446 318 W N 0.476 121.887 121.300 0.184 0.000 2.388 318 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 318 W C 2.228 178.840 176.519 0.155 0.000 1.212 318 W CA 1.415 58.867 57.345 0.178 0.000 1.271 318 W CB -0.084 29.488 29.460 0.188 0.000 1.126 318 W HN 0.430 nan 8.180 nan 0.000 0.535 319 A N 1.003 123.847 122.820 0.041 0.000 1.898 319 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 319 A C 2.121 179.674 177.584 -0.051 0.000 1.181 319 A CA 2.298 54.191 52.037 -0.241 0.000 0.620 319 A CB -1.266 17.614 19.000 -0.200 0.000 0.819 319 A HN 0.296 nan 8.150 nan 0.000 0.442 320 A N -0.838 122.051 122.820 0.116 0.000 1.883 320 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 320 A C 2.308 179.992 177.584 0.167 0.000 1.186 320 A CA 2.372 54.518 52.037 0.183 0.000 0.624 320 A CB -1.363 17.755 19.000 0.197 0.000 0.822 320 A HN 0.421 nan 8.150 nan 0.000 0.444 321 T N -1.768 112.871 114.554 0.141 0.000 2.788 321 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 321 T C 1.752 176.424 174.700 -0.046 0.000 1.044 321 T CA 1.666 63.876 62.100 0.183 0.000 1.139 321 T CB -0.419 68.509 68.868 0.100 0.000 0.867 321 T HN 0.539 nan 8.240 nan 0.000 0.454 322 Y N 1.159 121.171 120.300 -0.481 0.000 2.181 322 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 322 Y C 2.734 178.458 175.900 -0.294 0.000 1.146 322 Y CA 1.574 59.337 58.100 -0.562 0.000 1.164 322 Y CB -0.144 37.843 38.460 -0.788 0.000 0.982 322 Y HN 0.346 nan 8.280 nan 0.000 0.515 323 H N -1.495 117.608 119.070 0.055 0.000 2.353 323 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 323 H C 2.460 177.785 175.328 -0.006 0.000 1.090 323 H CA 1.824 57.886 56.048 0.023 0.000 1.327 323 H CB -0.628 29.128 29.762 -0.010 0.000 1.383 323 H HN 0.272 nan 8.280 nan 0.000 0.508 324 V N 1.401 121.377 119.914 0.104 0.000 2.287 324 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 324 V C 2.885 178.993 176.094 0.024 0.000 1.053 324 V CA 1.442 63.746 62.300 0.005 0.000 1.027 324 V CB -0.740 30.902 31.823 -0.301 0.000 0.646 324 V HN 0.229 nan 8.190 nan 0.000 0.447 325 L N -0.879 120.357 121.223 0.021 0.000 2.046 325 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 325 L C 2.427 179.357 176.870 0.099 0.000 1.077 325 L CA 1.511 56.336 54.840 -0.026 0.000 0.747 325 L CB -0.498 41.306 42.059 -0.425 0.000 0.896 325 L HN 0.296 nan 8.230 nan 0.000 0.432 326 L N -0.547 120.746 121.223 0.117 0.000 2.127 326 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 326 L C 2.551 179.396 176.870 -0.043 0.000 1.089 326 L CA 1.395 56.273 54.840 0.063 0.000 0.757 326 L CB -0.316 41.747 42.059 0.007 0.000 0.899 326 L HN 0.371 nan 8.230 nan 0.000 0.434 327 E N -1.331 118.817 120.200 -0.087 0.000 2.276 327 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 327 E C 1.340 177.671 176.600 -0.448 0.000 0.983 327 E CA 0.533 56.777 56.400 -0.261 0.000 0.861 327 E CB 0.323 29.836 29.700 -0.311 0.000 0.817 327 E HN 0.608 nan 8.360 nan 0.000 0.485 328 H N -1.962 116.992 119.070 -0.193 0.000 3.255 328 H HA 0.152 4.708 4.556 -0.000 0.000 0.256 328 H C -0.398 174.409 175.328 -0.869 0.000 1.049 328 H CA -0.465 55.373 56.048 -0.349 0.000 1.202 328 H CB 0.429 30.071 29.762 -0.199 0.000 1.497 328 H HN 0.013 nan 8.280 nan 0.000 0.503 329 F N 3.171 122.593 119.950 -0.880 0.000 2.602 329 F HA 0.046 4.573 4.527 -0.000 0.000 0.385 329 F C 0.054 175.418 175.800 -0.728 0.000 1.063 329 F CA -0.116 57.210 58.000 -1.125 0.000 1.233 329 F CB 0.581 39.381 39.000 -0.334 0.000 1.067 329 F HN 0.020 nan 8.300 nan 0.000 0.564 330 Q N 8.552 127.414 119.800 -1.564 0.000 2.430 330 Q HA 0.309 4.649 4.340 -0.000 0.000 0.245 330 Q C -2.373 173.105 176.000 -0.870 0.000 1.021 330 Q CA -2.143 53.165 55.803 -0.824 0.000 0.867 330 Q CB 1.272 29.776 28.738 -0.390 0.000 1.210 330 Q HN 0.408 nan 8.270 nan 0.000 0.487 331 P HA 0.051 nan 4.420 nan 0.000 0.265 331 P C 0.775 178.003 177.300 -0.120 0.000 1.193 331 P CA 0.757 63.754 63.100 -0.173 0.000 0.765 331 P CB 0.739 32.490 31.700 0.086 0.000 0.823 332 G N 1.987 110.762 108.800 -0.042 0.000 2.241 332 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 332 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 332 G C 0.180 175.069 174.900 -0.017 0.000 0.998 332 G CA 0.008 45.100 45.100 -0.013 0.000 0.621 332 G HN 0.647 nan 8.290 nan 0.000 0.519 333 D N 1.727 122.099 120.400 -0.045 0.000 2.339 333 D HA 0.400 5.040 4.640 -0.000 0.000 0.256 333 D C -0.500 175.824 176.300 0.040 0.000 1.214 333 D CA -1.717 52.295 54.000 0.020 0.000 0.877 333 D CB 1.353 42.217 40.800 0.107 0.000 1.111 333 D HN 0.145 nan 8.370 nan 0.000 0.478 334 P HA -0.098 nan 4.420 nan 0.000 0.216 334 P C 0.770 178.071 177.300 0.002 0.000 1.150 334 P CA 0.761 63.863 63.100 0.004 0.000 0.837 334 P CB 0.430 32.118 31.700 -0.019 0.000 0.786 335 D N -1.899 118.490 120.400 -0.019 0.000 2.117 335 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 335 D C 1.924 178.175 176.300 -0.082 0.000 0.982 335 D CA 1.033 54.980 54.000 -0.089 0.000 0.828 335 D CB -0.663 40.043 40.800 -0.156 0.000 0.967 335 D HN 0.252 nan 8.370 nan 0.000 0.464 336 W N 1.639 122.921 121.300 -0.031 0.000 2.381 336 W HA -0.070 4.590 4.660 -0.000 0.000 0.301 336 W C 2.499 179.122 176.519 0.173 0.000 1.205 336 W CA 0.595 57.943 57.345 0.005 0.000 1.285 336 W CB -0.037 29.252 29.460 -0.285 0.000 1.133 336 W HN 0.024 nan 8.180 nan 0.000 0.521 337 E N -0.072 120.343 120.200 0.358 0.000 2.077 337 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 337 E C 1.855 178.600 176.600 0.242 0.000 0.989 337 E CA 1.521 58.141 56.400 0.367 0.000 0.800 337 E CB -0.187 29.640 29.700 0.212 0.000 0.746 337 E HN 0.105 nan 8.360 nan 0.000 0.452 338 E N 0.912 121.183 120.200 0.120 0.000 2.110 338 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 338 E C 1.862 178.507 176.600 0.075 0.000 0.988 338 E CA 0.640 57.080 56.400 0.066 0.000 0.804 338 E CB -0.174 29.493 29.700 -0.055 0.000 0.745 338 E HN 0.119 nan 8.360 nan 0.000 0.458 339 L N -0.024 121.225 121.223 0.045 0.000 2.056 339 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 339 L C 2.284 179.223 176.870 0.116 0.000 1.078 339 L CA 1.468 56.310 54.840 0.003 0.000 0.749 339 L CB -0.780 41.253 42.059 -0.043 0.000 0.901 339 L HN 0.360 nan 8.230 nan 0.000 0.433 340 L N -1.160 120.211 121.223 0.246 0.000 2.012 340 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 340 L C 2.356 179.328 176.870 0.170 0.000 1.073 340 L CA 2.020 56.947 54.840 0.146 0.000 0.748 340 L CB -0.971 41.099 42.059 0.018 0.000 0.891 340 L HN 0.350 nan 8.230 nan 0.000 0.431 341 F N 0.254 120.243 119.950 0.064 0.000 2.126 341 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 341 F C 2.309 178.204 175.800 0.159 0.000 1.096 341 F CA 1.957 60.017 58.000 0.100 0.000 1.255 341 F CB -0.138 38.885 39.000 0.037 0.000 0.997 341 F HN 0.041 nan 8.300 nan 0.000 0.479 342 K N -0.210 120.161 120.400 -0.048 0.000 2.062 342 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 342 K C 1.922 178.490 176.600 -0.053 0.000 1.051 342 K CA 0.962 57.162 56.287 -0.145 0.000 0.941 342 K CB -0.453 31.974 32.500 -0.123 0.000 0.719 342 K HN 0.212 nan 8.250 nan 0.000 0.440 343 L N 0.383 121.636 121.223 0.049 0.000 1.971 343 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 343 L C 2.184 179.174 176.870 0.200 0.000 1.072 343 L CA 1.740 56.679 54.840 0.166 0.000 0.758 343 L CB -1.276 40.893 42.059 0.184 0.000 0.889 343 L HN 0.339 nan 8.230 nan 0.000 0.433 344 W N 0.466 121.763 121.300 -0.005 0.000 2.318 344 W HA -0.273 4.387 4.660 -0.000 0.000 0.313 344 W C 2.574 178.843 176.519 -0.416 0.000 1.221 344 W CA 2.584 59.778 57.345 -0.251 0.000 1.266 344 W CB -0.626 28.753 29.460 -0.134 0.000 1.150 344 W HN 0.093 nan 8.180 nan 0.000 0.496 345 T N -0.006 114.300 114.554 -0.414 0.000 2.699 345 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 345 T C 1.744 176.128 174.700 -0.528 0.000 1.036 345 T CA 2.962 64.668 62.100 -0.658 0.000 1.147 345 T CB -0.981 67.518 68.868 -0.616 0.000 0.862 345 T HN 0.468 nan 8.240 nan 0.000 0.446 346 T N 0.484 114.849 114.554 -0.316 0.000 2.821 346 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 346 T C 1.995 176.459 174.700 -0.394 0.000 1.046 346 T CA 1.120 63.075 62.100 -0.241 0.000 1.139 346 T CB -0.241 68.583 68.868 -0.074 0.000 0.871 346 T HN 0.154 nan 8.240 nan 0.000 0.454 347 R N 1.328 121.513 120.500 -0.525 0.000 2.073 347 R HA 0.025 4.365 4.340 -0.000 0.000 0.234 347 R C 2.326 178.258 176.300 -0.614 0.000 1.134 347 R CA 1.554 57.262 56.100 -0.652 0.000 0.952 347 R CB -1.336 28.242 30.300 -1.203 0.000 0.850 347 R HN 0.377 nan 8.270 nan 0.000 0.433 348 V N 0.841 120.271 119.914 -0.805 0.000 2.287 348 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 348 V C 2.380 178.229 176.094 -0.409 0.000 1.053 348 V CA 2.059 63.957 62.300 -0.671 0.000 1.027 348 V CB -0.500 30.707 31.823 -1.028 0.000 0.646 348 V HN 0.301 nan 8.190 nan 0.000 0.447 349 L N 0.259 121.175 121.223 -0.511 0.000 2.046 349 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 349 L C 2.587 179.106 176.870 -0.584 0.000 1.077 349 L CA 1.868 56.340 54.840 -0.612 0.000 0.747 349 L CB -0.762 40.737 42.059 -0.932 0.000 0.896 349 L HN 0.462 nan 8.230 nan 0.000 0.432 350 N N 0.012 118.495 118.700 -0.363 0.000 2.084 350 N HA -0.292 4.448 4.740 -0.000 0.000 0.190 350 N C 2.083 177.503 175.510 -0.151 0.000 1.030 350 N CA 1.824 54.803 53.050 -0.120 0.000 0.849 350 N CB -0.177 38.251 38.487 -0.098 0.000 1.012 350 N HN 0.363 nan 8.380 nan 0.000 0.423 351 Y N 1.799 121.919 120.300 -0.299 0.000 2.128 351 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 351 Y C 2.432 178.167 175.900 -0.274 0.000 1.154 351 Y CA 2.289 60.203 58.100 -0.310 0.000 1.149 351 Y CB -0.838 37.437 38.460 -0.308 0.000 0.976 351 Y HN -0.002 nan 8.280 nan 0.000 0.505 352 T N 1.210 115.550 114.554 -0.357 0.000 2.684 352 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 352 T C 1.756 176.229 174.700 -0.379 0.000 1.036 352 T CA 2.075 63.941 62.100 -0.391 0.000 1.148 352 T CB -0.212 68.556 68.868 -0.167 0.000 0.863 352 T HN 0.307 nan 8.240 nan 0.000 0.436 353 M N 1.314 120.740 119.600 -0.291 0.000 2.334 353 M HA 0.076 4.556 4.480 -0.000 0.000 0.266 353 M C 2.567 178.755 176.300 -0.186 0.000 1.082 353 M CA 1.259 56.448 55.300 -0.184 0.000 1.141 353 M CB -1.610 30.971 32.600 -0.032 0.000 1.380 353 M HN 0.447 nan 8.290 nan 0.000 0.440 354 T N -3.239 111.182 114.554 -0.222 0.000 3.037 354 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 354 T C 1.624 176.128 174.700 -0.327 0.000 1.079 354 T CA 0.254 62.222 62.100 -0.219 0.000 1.067 354 T CB 0.005 68.785 68.868 -0.148 0.000 0.948 354 T HN 0.085 nan 8.240 nan 0.000 0.496 355 V N 0.948 120.580 119.914 -0.470 0.000 3.001 355 V HA 0.456 4.576 4.120 -0.000 0.000 0.228 355 V C 3.005 178.805 176.094 -0.491 0.000 1.204 355 V CA 0.568 62.564 62.300 -0.507 0.000 1.247 355 V CB -0.817 30.535 31.823 -0.784 0.000 1.093 355 V HN 0.446 nan 8.190 nan 0.000 0.504 356 A N 0.060 122.415 122.820 -0.774 0.000 1.986 356 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 356 A C 2.007 179.417 177.584 -0.291 0.000 1.171 356 A CA 1.931 53.648 52.037 -0.534 0.000 0.640 356 A CB -0.576 18.072 19.000 -0.585 0.000 0.811 356 A HN 0.402 nan 8.150 nan 0.000 0.451 357 L N -0.460 120.586 121.223 -0.295 0.000 2.551 357 L HA 0.028 4.368 4.340 -0.000 0.000 0.228 357 L C 2.062 178.814 176.870 -0.198 0.000 1.153 357 L CA 1.167 55.880 54.840 -0.211 0.000 0.851 357 L CB -0.607 41.331 42.059 -0.200 0.000 0.959 357 L HN 0.326 nan 8.230 nan 0.000 0.451 358 R N -0.654 119.698 120.500 -0.246 0.000 2.300 358 R HA 0.374 4.714 4.340 -0.000 0.000 0.199 358 R C 0.448 176.674 176.300 -0.123 0.000 0.920 358 R CA 0.539 56.471 56.100 -0.279 0.000 1.046 358 R CB 0.143 30.064 30.300 -0.632 0.000 0.984 358 R HN 0.382 nan 8.270 nan 0.000 0.493 359 G N -0.391 108.378 108.800 -0.053 0.000 2.525 359 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.685 359 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.685 359 G C -0.286 174.671 174.900 0.095 0.000 1.285 359 G CA -0.548 44.575 45.100 0.039 0.000 0.849 359 G HN 0.123 nan 8.290 nan 0.000 0.653 360 Y N 0.609 120.925 120.300 0.026 0.000 2.081 360 Y HA -0.187 4.363 4.550 -0.000 0.000 0.280 360 Y C 2.516 178.457 175.900 0.068 0.000 1.163 360 Y CA 2.877 61.003 58.100 0.043 0.000 1.135 360 Y CB 0.073 38.557 38.460 0.041 0.000 0.970 360 Y HN 0.602 nan 8.280 nan 0.000 0.498 361 D N -0.945 119.544 120.400 0.148 0.000 2.097 361 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 361 D C 1.967 178.273 176.300 0.009 0.000 0.989 361 D CA 1.753 55.800 54.000 0.079 0.000 0.827 361 D CB -0.936 39.950 40.800 0.145 0.000 0.966 361 D HN 0.507 nan 8.370 nan 0.000 0.456 362 Y N 1.640 121.916 120.300 -0.040 0.000 2.114 362 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 362 Y C 2.298 178.155 175.900 -0.072 0.000 1.165 362 Y CA 2.074 60.146 58.100 -0.047 0.000 1.148 362 Y CB -0.290 38.132 38.460 -0.063 0.000 0.972 362 Y HN -0.038 nan 8.280 nan 0.000 0.504 363 A N 0.142 122.964 122.820 0.004 0.000 1.883 363 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 363 A C 2.140 179.617 177.584 -0.178 0.000 1.186 363 A CA 1.893 53.882 52.037 -0.080 0.000 0.624 363 A CB -0.706 18.209 19.000 -0.141 0.000 0.822 363 A HN 0.592 nan 8.150 nan 0.000 0.444 364 Q N -0.458 119.168 119.800 -0.291 0.000 2.020 364 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 364 Q C 2.348 178.291 176.000 -0.095 0.000 0.982 364 Q CA 2.114 57.773 55.803 -0.239 0.000 0.838 364 Q CB -0.517 28.116 28.738 -0.174 0.000 0.899 364 Q HN 0.985 nan 8.270 nan 0.000 0.423 365 Q N -0.160 119.582 119.800 -0.096 0.000 2.152 365 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 365 Q C 1.881 177.779 176.000 -0.169 0.000 0.985 365 Q CA 1.947 57.696 55.803 -0.091 0.000 0.863 365 Q CB -1.061 27.595 28.738 -0.136 0.000 0.904 365 Q HN 0.454 nan 8.270 nan 0.000 0.422 366 Y N 0.765 120.824 120.300 -0.401 0.000 2.145 366 Y HA -0.142 4.408 4.550 -0.000 0.000 0.286 366 Y C 1.800 177.504 175.900 -0.327 0.000 1.145 366 Y CA 1.770 59.650 58.100 -0.366 0.000 1.148 366 Y CB -0.138 38.114 38.460 -0.348 0.000 0.981 366 Y HN 0.147 nan 8.280 nan 0.000 0.507 367 L N -1.163 119.812 121.223 -0.414 0.000 2.046 367 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 367 L C 2.219 178.705 176.870 -0.640 0.000 1.077 367 L CA 1.535 55.893 54.840 -0.802 0.000 0.747 367 L CB -0.780 40.306 42.059 -1.622 0.000 0.896 367 L HN 0.265 nan 8.230 nan 0.000 0.432 368 Y N -0.127 119.987 120.300 -0.310 0.000 2.181 368 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 368 Y C 2.763 178.524 175.900 -0.231 0.000 1.146 368 Y CA 1.189 59.207 58.100 -0.137 0.000 1.164 368 Y CB -0.382 38.043 38.460 -0.059 0.000 0.982 368 Y HN 0.012 nan 8.280 nan 0.000 0.515 369 R N -0.492 119.910 120.500 -0.163 0.000 2.120 369 R HA -0.190 4.149 4.340 -0.000 0.000 0.234 369 R C 2.377 178.455 176.300 -0.369 0.000 1.123 369 R CA 1.480 57.439 56.100 -0.236 0.000 0.975 369 R CB -0.361 29.794 30.300 -0.242 0.000 0.866 369 R HN 0.400 nan 8.270 nan 0.000 0.446 370 M N 0.818 120.067 119.600 -0.586 0.000 2.065 370 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 370 M C 1.914 177.869 176.300 -0.574 0.000 1.069 370 M CA 1.815 56.679 55.300 -0.726 0.000 1.110 370 M CB -0.100 31.995 32.600 -0.841 0.000 1.328 370 M HN 0.158 nan 8.290 nan 0.000 0.405 371 L N -0.294 120.751 121.223 -0.296 0.000 2.042 371 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 371 L C 2.668 179.464 176.870 -0.123 0.000 1.076 371 L CA 1.475 56.239 54.840 -0.126 0.000 0.749 371 L CB -1.636 40.375 42.059 -0.080 0.000 0.893 371 L HN 0.528 nan 8.230 nan 0.000 0.432 372 G N -0.138 108.571 108.800 -0.152 0.000 2.459 372 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 372 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 372 G C 1.730 176.620 174.900 -0.018 0.000 1.183 372 G CA 0.625 45.678 45.100 -0.078 0.000 0.776 372 G HN 0.272 nan 8.290 nan 0.000 0.552 373 R N -0.741 119.702 120.500 -0.095 0.000 2.083 373 R HA -0.085 4.255 4.340 -0.000 0.000 0.237 373 R C 2.413 178.792 176.300 0.132 0.000 1.137 373 R CA 1.573 57.661 56.100 -0.021 0.000 0.951 373 R CB -0.574 29.654 30.300 -0.120 0.000 0.851 373 R HN 0.569 nan 8.270 nan 0.000 0.434 374 Y N 0.202 120.511 120.300 0.015 0.000 2.145 374 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 374 Y C 2.715 178.625 175.900 0.016 0.000 1.145 374 Y CA 0.742 58.849 58.100 0.012 0.000 1.148 374 Y CB -0.098 38.344 38.460 -0.030 0.000 0.981 374 Y HN 0.054 nan 8.280 nan 0.000 0.507 375 R N -0.714 119.886 120.500 0.167 0.000 2.091 375 R HA -0.250 4.090 4.340 -0.000 0.000 0.238 375 R C 2.133 178.489 176.300 0.094 0.000 1.136 375 R CA 2.047 58.200 56.100 0.088 0.000 0.959 375 R CB -0.683 29.654 30.300 0.061 0.000 0.856 375 R HN 0.430 nan 8.270 nan 0.000 0.437 376 Y N 1.455 121.771 120.300 0.026 0.000 2.133 376 Y HA -0.287 4.263 4.550 -0.000 0.000 0.287 376 Y C 2.789 178.714 175.900 0.042 0.000 1.134 376 Y CA 1.845 59.962 58.100 0.028 0.000 1.133 376 Y CB -0.114 38.365 38.460 0.033 0.000 0.987 376 Y HN 0.079 nan 8.280 nan 0.000 0.502 377 Q N 0.302 120.197 119.800 0.159 0.000 2.061 377 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 377 Q C 2.310 178.307 176.000 -0.005 0.000 0.984 377 Q CA 1.812 57.662 55.803 0.079 0.000 0.846 377 Q CB -0.420 28.427 28.738 0.180 0.000 0.902 377 Q HN 0.606 nan 8.270 nan 0.000 0.421 378 A N 0.822 123.652 122.820 0.018 0.000 1.908 378 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 378 A C 2.283 179.839 177.584 -0.047 0.000 1.181 378 A CA 1.896 53.925 52.037 -0.013 0.000 0.627 378 A CB -0.940 18.052 19.000 -0.013 0.000 0.818 378 A HN 0.579 nan 8.150 nan 0.000 0.445 379 A N -0.587 122.180 122.820 -0.088 0.000 2.015 379 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 379 A C 2.119 179.649 177.584 -0.091 0.000 1.163 379 A CA 1.178 53.177 52.037 -0.062 0.000 0.646 379 A CB -0.488 18.444 19.000 -0.113 0.000 0.806 379 A HN 0.484 nan 8.150 nan 0.000 0.448 380 L N 0.158 121.271 121.223 -0.183 0.000 1.970 380 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 380 L C 3.003 179.828 176.870 -0.075 0.000 1.071 380 L CA 2.067 56.813 54.840 -0.157 0.000 0.751 380 L CB -0.632 41.326 42.059 -0.168 0.000 0.889 380 L HN 0.635 nan 8.230 nan 0.000 0.432 381 E N 0.475 120.639 120.200 -0.060 0.000 2.006 381 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 381 E C 0.924 177.506 176.600 -0.030 0.000 0.993 381 E CA 1.368 57.739 56.400 -0.048 0.000 0.808 381 E CB -0.636 29.024 29.700 -0.067 0.000 0.764 381 E HN 0.587 nan 8.360 nan 0.000 0.449 382 N N 0.000 118.689 118.700 -0.019 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667