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 3e0v_1_B DATA FIRST_RESID -2 DATA SEQUENCE SHMSQLAHNL TLSIFDPVAN YRAARIICTI GPSTQSVEAL KGLIQSGMSV DATA SEQUENCE ARMNFSHGSH EYHQTTINNV RQAAAELGVN IAIALDTKGP EIRTGQFVGG DATA SEQUENCE DAVMERGATC YVTTDPAFAD KGTKDKFYID YQNLSKVVRP GNYIYIDDGI DATA SEQUENCE LILQVQSHED EQTLECTVTN SHTISDRRGV NLPGCDVDLP AVSAKDRVDL DATA SEQUENCE QFGVEQGVDM IFASFIRSAE QVGDVRKALG PKGRDIMIIC KIENHQGVQN DATA SEQUENCE IDSIIEESDG IMVARGDLGV EIPAEKVVVA QKILISKCNV AGKPVICATQ DATA SEQUENCE MLESMTYNPR PTRAEVSDVA NAVFNGADCV MLSGETAKGK YPNEVVQYMA DATA SEQUENCE RICLEAQSAL NEYVFFNSIK KLQHIPMSAD EAVCSSAVNS VYETKAKAMV DATA SEQUENCE VLSNTGRSAR LVAKYRPNCP IVCVTTRLQT CRQLNITQGV ESVFFDADKL DATA SEQUENCE GHDWGKEHRV AAGVEFAKSK GYVQTGDYCV VIHADXXXXG YANQTRILLV DATA SEQUENCE E 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 0.000 174.636 174.600 0.060 0.000 1.055 -2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 -2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 -1 H N 3.989 123.036 119.070 -0.038 0.000 2.369 -1 H HA 0.255 4.811 4.556 0.000 0.000 0.228 -1 H C 1.215 176.509 175.328 -0.056 0.000 1.548 -1 H CA -0.682 55.343 56.048 -0.037 0.000 1.275 -1 H CB 0.099 29.831 29.762 -0.050 0.000 1.549 -1 H HN 0.750 nan 8.280 nan 0.000 0.542 0 M N 0.107 119.650 119.600 -0.095 0.000 2.074 0 M HA 0.058 4.538 4.480 0.000 0.000 0.258 0 M C 0.559 176.818 176.300 -0.068 0.000 1.083 0 M CA 0.715 55.981 55.300 -0.057 0.000 1.128 0 M CB -0.760 31.817 32.600 -0.038 0.000 1.301 0 M HN 0.239 nan 8.290 nan 0.000 0.417 1 S N -1.242 114.392 115.700 -0.110 0.000 2.627 1 S HA 0.348 4.818 4.470 0.000 0.000 0.283 1 S C 0.356 174.900 174.600 -0.093 0.000 1.127 1 S CA -0.447 57.707 58.200 -0.076 0.000 0.863 1 S CB 1.927 65.096 63.200 -0.051 0.000 1.121 1 S HN 0.441 nan 8.310 nan 0.000 0.479 2 Q N 1.236 121.016 119.800 -0.035 0.000 2.208 2 Q HA -0.251 4.089 4.340 0.000 0.000 0.219 2 Q C 1.748 177.743 176.000 -0.009 0.000 1.027 2 Q CA 2.823 58.636 55.803 0.016 0.000 0.925 2 Q CB -0.798 27.942 28.738 0.003 0.000 1.006 2 Q HN 0.719 nan 8.270 nan 0.000 0.415 3 L N -0.528 120.664 121.223 -0.051 0.000 1.978 3 L HA -0.286 4.054 4.340 0.000 0.000 0.218 3 L C 2.171 179.001 176.870 -0.067 0.000 1.075 3 L CA 2.415 57.219 54.840 -0.060 0.000 0.767 3 L CB -0.797 41.227 42.059 -0.059 0.000 0.890 3 L HN 0.377 nan 8.230 nan 0.000 0.434 4 A N -1.530 121.230 122.820 -0.100 0.000 1.948 4 A HA -0.354 3.966 4.320 0.000 0.000 0.220 4 A C 2.159 179.676 177.584 -0.112 0.000 1.177 4 A CA 2.196 54.152 52.037 -0.135 0.000 0.636 4 A CB -1.046 17.810 19.000 -0.240 0.000 0.815 4 A HN 0.774 nan 8.150 nan 0.000 0.449 5 H N 0.037 118.970 119.070 -0.228 0.000 2.403 5 H HA 0.005 4.561 4.556 0.000 0.000 0.298 5 H C 1.748 177.092 175.328 0.027 0.000 1.059 5 H CA 1.621 57.645 56.048 -0.042 0.000 1.363 5 H CB -0.195 29.574 29.762 0.012 0.000 1.410 5 H HN 0.406 nan 8.280 nan 0.000 0.528 6 N N 0.148 118.772 118.700 -0.127 0.000 2.348 6 N HA -0.107 4.633 4.740 0.000 0.000 0.185 6 N C 1.731 177.156 175.510 -0.141 0.000 1.019 6 N CA 0.773 53.721 53.050 -0.170 0.000 0.880 6 N CB -0.239 38.180 38.487 -0.112 0.000 0.965 6 N HN 0.386 nan 8.380 nan 0.000 0.437 7 L N 0.038 121.205 121.223 -0.093 0.000 2.217 7 L HA -0.076 4.264 4.340 0.000 0.000 0.211 7 L C 2.260 179.103 176.870 -0.044 0.000 1.107 7 L CA 1.162 55.969 54.840 -0.054 0.000 0.783 7 L CB -0.379 41.665 42.059 -0.025 0.000 0.919 7 L HN 0.345 nan 8.230 nan 0.000 0.442 8 T N -2.838 111.684 114.554 -0.055 0.000 2.939 8 T HA 0.041 4.391 4.350 0.000 0.000 0.254 8 T C 0.961 175.616 174.700 -0.073 0.000 1.041 8 T CA -0.198 61.885 62.100 -0.028 0.000 1.142 8 T CB -0.421 68.472 68.868 0.041 0.000 0.874 8 T HN 0.004 nan 8.240 nan 0.000 0.452 9 L N 2.498 123.620 121.223 -0.168 0.000 2.573 9 L HA 0.186 4.526 4.340 0.000 0.000 0.290 9 L C 0.426 177.232 176.870 -0.107 0.000 1.247 9 L CA 0.139 54.889 54.840 -0.151 0.000 0.876 9 L CB 0.350 42.289 42.059 -0.201 0.000 1.123 9 L HN 0.386 nan 8.230 nan 0.000 0.505 10 S N 2.842 118.486 115.700 -0.093 0.000 2.677 10 S HA 0.336 4.806 4.470 0.000 0.000 0.283 10 S C 0.632 175.117 174.600 -0.191 0.000 1.159 10 S CA -0.915 57.196 58.200 -0.148 0.000 1.001 10 S CB 1.084 64.251 63.200 -0.055 0.000 1.032 10 S HN 0.527 nan 8.310 nan 0.000 0.487 11 I N 1.542 121.889 120.570 -0.371 0.000 2.657 11 I HA 0.014 4.184 4.170 0.000 0.000 0.261 11 I C 1.022 177.030 176.117 -0.181 0.000 1.212 11 I CA 1.341 62.455 61.300 -0.310 0.000 1.453 11 I CB -0.536 37.236 38.000 -0.380 0.000 1.092 11 I HN 0.494 nan 8.210 nan 0.000 0.452 12 F N 1.146 121.105 119.950 0.014 0.000 2.558 12 F HA 0.115 4.642 4.527 0.000 0.000 0.298 12 F C 1.048 176.856 175.800 0.014 0.000 1.119 12 F CA -0.402 57.605 58.000 0.012 0.000 1.451 12 F CB -1.024 37.982 39.000 0.010 0.000 1.091 12 F HN 0.038 nan 8.300 nan 0.000 0.563 13 D N 2.620 123.111 120.400 0.152 0.000 2.424 13 D HA 0.084 4.724 4.640 0.000 0.000 0.244 13 D C -2.012 174.335 176.300 0.079 0.000 1.134 13 D CA -1.058 53.003 54.000 0.102 0.000 0.881 13 D CB 0.172 41.015 40.800 0.071 0.000 1.191 13 D HN -0.067 nan 8.370 nan 0.000 0.445 14 P HA -0.115 nan 4.420 nan 0.000 0.261 14 P C -0.332 176.998 177.300 0.050 0.000 1.140 14 P CA 0.192 63.326 63.100 0.056 0.000 0.757 14 P CB 0.194 31.926 31.700 0.053 0.000 0.735 15 V N 2.276 122.213 119.914 0.039 0.000 2.359 15 V HA 0.183 4.303 4.120 0.000 0.000 0.248 15 V C 1.159 177.270 176.094 0.028 0.000 1.091 15 V CA -0.746 61.568 62.300 0.024 0.000 1.103 15 V CB -0.921 30.907 31.823 0.008 0.000 1.176 15 V HN 0.704 nan 8.190 nan 0.000 0.488 16 A N 4.126 126.968 122.820 0.037 0.000 2.550 16 A HA 0.011 4.331 4.320 0.000 0.000 0.263 16 A C 0.694 178.305 177.584 0.044 0.000 1.065 16 A CA 0.272 52.345 52.037 0.060 0.000 0.786 16 A CB -0.601 18.445 19.000 0.077 0.000 0.985 16 A HN 0.803 nan 8.150 nan 0.000 0.518 17 N N 2.455 121.216 118.700 0.103 0.000 2.918 17 N HA 0.436 5.176 4.740 0.000 0.000 0.247 17 N C -1.296 174.363 175.510 0.248 0.000 1.117 17 N CA -0.033 53.085 53.050 0.114 0.000 1.005 17 N CB -0.153 38.394 38.487 0.099 0.000 1.297 17 N HN 0.589 nan 8.380 nan 0.000 0.513 18 Y N -0.187 120.131 120.300 0.030 0.000 2.313 18 Y HA 0.385 4.935 4.550 0.000 0.000 0.320 18 Y C -0.811 175.085 175.900 -0.006 0.000 1.171 18 Y CA -1.252 56.861 58.100 0.021 0.000 1.093 18 Y CB 0.606 38.988 38.460 -0.130 0.000 1.224 18 Y HN 0.081 nan 8.280 nan 0.000 0.421 19 R N 3.538 123.991 120.500 -0.079 0.000 2.248 19 R HA 0.674 5.014 4.340 0.000 0.000 0.328 19 R C 0.276 176.502 176.300 -0.123 0.000 1.067 19 R CA 0.622 56.624 56.100 -0.165 0.000 0.924 19 R CB 1.221 31.483 30.300 -0.062 0.000 1.013 19 R HN 1.031 nan 8.270 nan 0.000 0.454 20 A N 4.726 127.401 122.820 -0.241 0.000 1.874 20 A HA 0.132 4.452 4.320 0.000 0.000 0.214 20 A C 0.960 178.514 177.584 -0.051 0.000 1.189 20 A CA 0.896 52.877 52.037 -0.094 0.000 0.615 20 A CB -0.337 18.582 19.000 -0.135 0.000 0.830 20 A HN 0.814 nan 8.150 nan 0.000 0.443 21 A N 0.593 123.360 122.820 -0.089 0.000 2.483 21 A HA 0.461 4.781 4.320 0.000 0.000 0.238 21 A C 0.312 177.881 177.584 -0.025 0.000 1.070 21 A CA -0.129 51.870 52.037 -0.063 0.000 0.770 21 A CB 0.100 19.048 19.000 -0.085 0.000 1.008 21 A HN 0.423 nan 8.150 nan 0.000 0.497 22 R N 0.990 121.484 120.500 -0.011 0.000 2.532 22 R HA 0.574 4.914 4.340 0.000 0.000 0.295 22 R C -1.099 175.210 176.300 0.015 0.000 0.968 22 R CA -0.452 55.656 56.100 0.013 0.000 0.916 22 R CB 1.403 31.718 30.300 0.024 0.000 1.124 22 R HN 0.684 nan 8.270 nan 0.000 0.463 23 I N 3.674 124.261 120.570 0.029 0.000 2.378 23 I HA 0.389 4.559 4.170 0.000 0.000 0.291 23 I C 0.171 176.320 176.117 0.053 0.000 0.992 23 I CA -0.558 60.761 61.300 0.033 0.000 1.154 23 I CB 1.490 39.510 38.000 0.033 0.000 1.315 23 I HN 0.305 nan 8.210 nan 0.000 0.448 24 I N 5.265 125.870 120.570 0.060 0.000 2.392 24 I HA 0.390 4.560 4.170 0.000 0.000 0.295 24 I C -0.485 175.684 176.117 0.086 0.000 0.985 24 I CA -0.395 60.964 61.300 0.097 0.000 1.221 24 I CB 1.382 39.462 38.000 0.133 0.000 1.366 24 I HN 0.555 nan 8.210 nan 0.000 0.467 25 C N 2.889 122.248 119.300 0.098 0.000 2.529 25 C HA 0.526 4.986 4.460 0.000 0.000 0.329 25 C C 0.325 175.386 174.990 0.117 0.000 1.194 25 C CA -0.685 58.387 59.018 0.090 0.000 1.779 25 C CB 1.366 29.151 27.740 0.074 0.000 2.322 25 C HN 0.668 nan 8.230 nan 0.000 0.500 26 T N 3.918 118.539 114.554 0.112 0.000 2.728 26 T HA 0.359 4.709 4.350 0.000 0.000 0.296 26 T C 0.266 175.043 174.700 0.128 0.000 0.940 26 T CA -0.125 62.057 62.100 0.137 0.000 1.013 26 T CB 0.026 68.972 68.868 0.131 0.000 0.912 26 T HN 0.366 nan 8.240 nan 0.000 0.484 27 I N 3.042 123.705 120.570 0.156 0.000 2.575 27 I HA 0.601 4.771 4.170 0.000 0.000 0.285 27 I C 1.022 177.254 176.117 0.191 0.000 1.085 27 I CA 0.068 61.460 61.300 0.153 0.000 1.403 27 I CB 0.452 38.547 38.000 0.160 0.000 1.409 27 I HN 0.810 nan 8.210 nan 0.000 0.557 28 G N 5.561 114.458 108.800 0.162 0.000 2.561 28 G HA2 0.410 4.370 3.960 0.000 0.000 0.310 28 G HA3 0.410 4.370 3.960 0.000 0.000 0.310 28 G C -2.625 172.367 174.900 0.152 0.000 1.292 28 G CA -0.389 44.822 45.100 0.186 0.000 0.811 28 G HN 0.257 nan 8.290 nan 0.000 0.482 29 P HA -0.176 nan 4.420 nan 0.000 0.220 29 P C 1.982 179.312 177.300 0.049 0.000 1.155 29 P CA 2.789 65.946 63.100 0.095 0.000 0.880 29 P CB 0.087 31.818 31.700 0.052 0.000 0.790 30 S N -3.133 112.585 115.700 0.030 0.000 2.593 30 S HA 0.052 4.522 4.470 0.000 0.000 0.217 30 S C 0.986 175.591 174.600 0.008 0.000 0.966 30 S CA 0.923 59.127 58.200 0.006 0.000 0.914 30 S CB -1.058 62.132 63.200 -0.017 0.000 0.776 30 S HN 0.258 nan 8.310 nan 0.000 0.523 31 T N -2.620 111.950 114.554 0.026 0.000 3.403 31 T HA 0.329 4.679 4.350 0.000 0.000 0.308 31 T C 0.907 175.621 174.700 0.023 0.000 0.952 31 T CA -0.404 61.711 62.100 0.025 0.000 0.970 31 T CB 0.026 68.916 68.868 0.036 0.000 1.189 31 T HN 0.263 nan 8.240 nan 0.000 0.528 32 Q N 2.112 121.918 119.800 0.010 0.000 2.269 32 Q HA 0.088 4.428 4.340 0.000 0.000 0.201 32 Q C 0.921 176.896 176.000 -0.042 0.000 0.946 32 Q CA 0.527 56.313 55.803 -0.029 0.000 0.877 32 Q CB 0.139 28.819 28.738 -0.097 0.000 0.963 32 Q HN 0.694 nan 8.270 nan 0.000 0.472 33 S N -0.294 115.389 115.700 -0.029 0.000 2.560 33 S HA 0.025 4.495 4.470 0.000 0.000 0.284 33 S C 1.538 176.129 174.600 -0.015 0.000 1.327 33 S CA -0.051 58.133 58.200 -0.026 0.000 1.055 33 S CB 1.192 64.381 63.200 -0.019 0.000 0.868 33 S HN 0.231 nan 8.310 nan 0.000 0.506 34 V N 1.003 120.907 119.914 -0.016 0.000 2.233 34 V HA -0.309 3.811 4.120 0.000 0.000 0.252 34 V C 2.484 178.576 176.094 -0.003 0.000 1.063 34 V CA 2.438 64.732 62.300 -0.009 0.000 1.032 34 V CB -1.894 29.923 31.823 -0.011 0.000 0.645 34 V HN 1.044 nan 8.190 nan 0.000 0.446 35 E N 2.003 122.201 120.200 -0.004 0.000 2.086 35 E HA -0.257 4.093 4.350 0.000 0.000 0.200 35 E C 1.960 178.562 176.600 0.003 0.000 1.012 35 E CA 2.487 58.887 56.400 -0.001 0.000 0.812 35 E CB -0.671 29.027 29.700 -0.003 0.000 0.743 35 E HN 0.733 nan 8.360 nan 0.000 0.453 36 A N -0.181 122.641 122.820 0.002 0.000 2.072 36 A HA 0.108 4.428 4.320 0.000 0.000 0.216 36 A C 2.150 179.742 177.584 0.014 0.000 1.156 36 A CA 0.528 52.569 52.037 0.007 0.000 0.701 36 A CB -0.293 18.709 19.000 0.004 0.000 0.816 36 A HN 0.338 nan 8.150 nan 0.000 0.458 37 L N -0.711 120.519 121.223 0.012 0.000 2.072 37 L HA -0.115 4.225 4.340 0.000 0.000 0.205 37 L C 2.525 179.406 176.870 0.019 0.000 1.079 37 L CA 1.217 56.068 54.840 0.018 0.000 0.752 37 L CB -0.269 41.798 42.059 0.014 0.000 0.906 37 L HN 0.312 nan 8.230 nan 0.000 0.436 38 K N -0.157 120.252 120.400 0.014 0.000 2.032 38 K HA -0.182 4.138 4.320 0.000 0.000 0.209 38 K C 2.059 178.671 176.600 0.020 0.000 1.048 38 K CA 1.506 57.802 56.287 0.015 0.000 0.927 38 K CB -0.553 31.953 32.500 0.011 0.000 0.712 38 K HN 0.421 nan 8.250 nan 0.000 0.441 39 G N 1.442 110.255 108.800 0.020 0.000 2.476 39 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 39 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 39 G C 1.391 176.310 174.900 0.032 0.000 1.164 39 G CA 0.656 45.771 45.100 0.026 0.000 0.768 39 G HN 0.067 nan 8.290 nan 0.000 0.560 40 L N 0.727 121.970 121.223 0.033 0.000 1.989 40 L HA -0.016 4.324 4.340 0.000 0.000 0.211 40 L C 2.921 179.814 176.870 0.038 0.000 1.071 40 L CA 1.173 56.036 54.840 0.038 0.000 0.749 40 L CB -0.842 41.241 42.059 0.040 0.000 0.890 40 L HN 0.250 nan 8.230 nan 0.000 0.431 41 I N -1.257 119.333 120.570 0.034 0.000 2.118 41 I HA -0.388 3.782 4.170 0.000 0.000 0.241 41 I C 2.545 178.684 176.117 0.036 0.000 1.070 41 I CA 1.449 62.769 61.300 0.034 0.000 1.327 41 I CB -0.273 37.744 38.000 0.029 0.000 1.034 41 I HN 0.344 nan 8.210 nan 0.000 0.405 42 Q N 0.109 119.928 119.800 0.032 0.000 2.224 42 Q HA -0.136 4.204 4.340 0.000 0.000 0.203 42 Q C 2.243 178.263 176.000 0.033 0.000 0.970 42 Q CA 1.499 57.320 55.803 0.031 0.000 0.865 42 Q CB 0.140 28.894 28.738 0.026 0.000 0.922 42 Q HN 0.393 nan 8.270 nan 0.000 0.445 43 S N -1.747 113.975 115.700 0.036 0.000 2.414 43 S HA 0.110 4.580 4.470 0.000 0.000 0.227 43 S C 1.078 175.701 174.600 0.038 0.000 1.022 43 S CA 0.911 59.133 58.200 0.038 0.000 0.958 43 S CB 0.590 63.818 63.200 0.046 0.000 0.797 43 S HN 0.594 nan 8.310 nan 0.000 0.493 44 G N 0.806 109.630 108.800 0.041 0.000 3.216 44 G HA2 -0.059 3.901 3.960 0.000 0.000 0.221 44 G HA3 -0.059 3.901 3.960 0.000 0.000 0.221 44 G C -0.090 174.837 174.900 0.044 0.000 0.949 44 G CA -0.481 44.644 45.100 0.042 0.000 0.952 44 G HN 0.328 nan 8.290 nan 0.000 0.657 45 M N 1.507 121.134 119.600 0.046 0.000 2.239 45 M HA 0.489 4.969 4.480 0.000 0.000 0.348 45 M C 0.814 177.143 176.300 0.049 0.000 1.239 45 M CA 0.793 56.123 55.300 0.049 0.000 1.114 45 M CB 0.907 33.537 32.600 0.050 0.000 1.641 45 M HN 0.004 nan 8.290 nan 0.000 0.453 46 S N 3.272 119.004 115.700 0.053 0.000 2.549 46 S HA 0.266 4.736 4.470 0.000 0.000 0.225 46 S C -0.153 174.479 174.600 0.054 0.000 1.039 46 S CA -0.449 57.782 58.200 0.052 0.000 0.942 46 S CB 0.632 63.864 63.200 0.053 0.000 0.881 46 S HN 0.614 nan 8.310 nan 0.000 0.503 47 V N 1.924 121.878 119.914 0.068 0.000 2.623 47 V HA 0.742 4.862 4.120 0.000 0.000 0.304 47 V C -0.666 175.479 176.094 0.085 0.000 1.054 47 V CA -1.101 61.247 62.300 0.079 0.000 0.882 47 V CB 1.515 33.414 31.823 0.127 0.000 1.002 47 V HN 0.334 nan 8.190 nan 0.000 0.424 48 A N 5.010 127.869 122.820 0.064 0.000 2.301 48 A HA 0.776 5.096 4.320 0.000 0.000 0.298 48 A C 0.019 177.650 177.584 0.079 0.000 1.185 48 A CA -0.470 51.613 52.037 0.077 0.000 0.830 48 A CB 0.513 19.551 19.000 0.064 0.000 1.112 48 A HN 0.810 nan 8.150 nan 0.000 0.508 49 R N 3.921 124.499 120.500 0.130 0.000 2.337 49 R HA 0.498 4.838 4.340 0.000 0.000 0.319 49 R C -1.167 175.246 176.300 0.188 0.000 0.954 49 R CA -0.343 55.846 56.100 0.148 0.000 0.840 49 R CB 0.611 31.081 30.300 0.283 0.000 1.164 49 R HN 0.833 nan 8.270 nan 0.000 0.472 50 M N 3.778 123.487 119.600 0.182 0.000 2.146 50 M HA 0.172 4.652 4.480 0.000 0.000 0.357 50 M C 0.212 176.727 176.300 0.359 0.000 1.261 50 M CA -0.036 55.476 55.300 0.353 0.000 1.106 50 M CB 1.065 33.941 32.600 0.460 0.000 1.612 50 M HN 0.444 nan 8.290 nan 0.000 0.470 51 N N 2.876 121.831 118.700 0.425 0.000 2.527 51 N HA 0.166 4.906 4.740 0.000 0.000 0.236 51 N C -0.437 175.325 175.510 0.418 0.000 0.999 51 N CA -0.259 53.016 53.050 0.373 0.000 0.935 51 N CB 0.566 39.247 38.487 0.323 0.000 1.132 51 N HN 0.556 nan 8.380 nan 0.000 0.511 52 F N 1.694 121.647 119.950 0.005 0.000 2.802 52 F HA 0.055 4.582 4.527 0.000 0.000 0.300 52 F C 2.149 177.950 175.800 0.002 0.000 1.168 52 F CA 0.156 58.125 58.000 -0.052 0.000 1.433 52 F CB -0.093 38.842 39.000 -0.109 0.000 1.115 52 F HN 0.472 nan 8.300 nan 0.000 0.582 53 S N -1.578 114.179 115.700 0.095 0.000 2.447 53 S HA -0.076 4.394 4.470 0.000 0.000 0.233 53 S C 0.452 174.751 174.600 -0.502 0.000 1.006 53 S CA 0.856 58.939 58.200 -0.195 0.000 0.957 53 S CB -0.372 62.664 63.200 -0.273 0.000 0.773 53 S HN 0.355 nan 8.310 nan 0.000 0.507 54 H N -0.629 118.474 119.070 0.054 0.000 2.928 54 H HA 0.537 5.093 4.556 0.000 0.000 0.371 54 H C 0.366 175.604 175.328 -0.150 0.000 1.186 54 H CA -0.281 55.731 56.048 -0.060 0.000 1.134 54 H CB 1.331 31.034 29.762 -0.099 0.000 1.824 54 H HN 0.297 nan 8.280 nan 0.000 0.554 55 G N 1.183 109.860 108.800 -0.204 0.000 2.777 55 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 55 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 55 G C 0.195 174.903 174.900 -0.320 0.000 1.177 55 G CA -0.097 44.702 45.100 -0.502 0.000 0.775 55 G HN 0.886 nan 8.290 nan 0.000 0.613 56 S N 0.727 116.273 115.700 -0.257 0.000 2.634 56 S HA 0.314 4.784 4.470 0.000 0.000 0.254 56 S C 1.268 175.734 174.600 -0.223 0.000 1.299 56 S CA 0.880 58.939 58.200 -0.236 0.000 0.974 56 S CB 0.620 63.738 63.200 -0.137 0.000 1.001 56 S HN 0.820 nan 8.310 nan 0.000 0.584 57 H N -0.090 118.827 119.070 -0.255 0.000 2.395 57 H HA 0.037 4.593 4.556 0.000 0.000 0.299 57 H C 2.219 177.420 175.328 -0.211 0.000 1.070 57 H CA 1.448 57.210 56.048 -0.476 0.000 1.356 57 H CB 0.006 29.291 29.762 -0.794 0.000 1.401 57 H HN 0.719 nan 8.280 nan 0.000 0.524 58 E N 0.250 120.459 120.200 0.015 0.000 2.118 58 E HA -0.242 4.108 4.350 0.000 0.000 0.195 58 E C 1.564 178.182 176.600 0.029 0.000 0.992 58 E CA 1.086 57.511 56.400 0.043 0.000 0.804 58 E CB -0.090 29.622 29.700 0.021 0.000 0.741 58 E HN 0.500 nan 8.360 nan 0.000 0.458 59 Y N 1.410 121.625 120.300 -0.142 0.000 2.049 59 Y HA -0.309 4.241 4.550 0.000 0.000 0.277 59 Y C 2.423 178.222 175.900 -0.168 0.000 1.143 59 Y CA 2.085 60.049 58.100 -0.227 0.000 1.115 59 Y CB -0.242 37.947 38.460 -0.451 0.000 0.975 59 Y HN 0.141 nan 8.280 nan 0.000 0.487 60 H N -0.675 118.549 119.070 0.257 0.000 2.422 60 H HA -0.185 4.371 4.556 0.000 0.000 0.298 60 H C 2.134 177.628 175.328 0.277 0.000 1.098 60 H CA 1.674 57.896 56.048 0.290 0.000 1.315 60 H CB -0.432 29.512 29.762 0.304 0.000 1.382 60 H HN 0.406 nan 8.280 nan 0.000 0.523 61 Q N 0.825 120.858 119.800 0.387 0.000 2.096 61 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 61 Q C 2.135 178.214 176.000 0.133 0.000 0.982 61 Q CA 2.217 58.218 55.803 0.330 0.000 0.850 61 Q CB -0.294 28.623 28.738 0.298 0.000 0.901 61 Q HN 0.385 nan 8.270 nan 0.000 0.422 62 T N -0.490 114.075 114.554 0.018 0.000 2.674 62 T HA -0.144 4.206 4.350 0.000 0.000 0.265 62 T C 1.776 176.439 174.700 -0.062 0.000 1.039 62 T CA 1.806 63.865 62.100 -0.069 0.000 1.150 62 T CB -0.790 67.963 68.868 -0.190 0.000 0.864 62 T HN 0.381 nan 8.240 nan 0.000 0.427 63 T N 2.198 116.705 114.554 -0.078 0.000 2.699 63 T HA -0.078 4.272 4.350 0.000 0.000 0.268 63 T C 1.964 176.701 174.700 0.062 0.000 1.036 63 T CA 1.173 63.275 62.100 0.004 0.000 1.147 63 T CB -0.531 68.405 68.868 0.114 0.000 0.862 63 T HN 0.327 nan 8.240 nan 0.000 0.446 64 I N 1.348 121.980 120.570 0.104 0.000 2.202 64 I HA -0.173 3.997 4.170 0.000 0.000 0.242 64 I C 2.367 178.501 176.117 0.029 0.000 1.091 64 I CA 1.025 62.370 61.300 0.074 0.000 1.368 64 I CB -0.360 37.694 38.000 0.090 0.000 1.058 64 I HN 0.141 nan 8.210 nan 0.000 0.410 65 N N 0.966 119.682 118.700 0.025 0.000 2.142 65 N HA -0.145 4.595 4.740 0.000 0.000 0.186 65 N C 1.587 177.094 175.510 -0.005 0.000 1.023 65 N CA 1.234 54.288 53.050 0.005 0.000 0.852 65 N CB -0.615 37.875 38.487 0.005 0.000 0.998 65 N HN 0.315 nan 8.380 nan 0.000 0.424 66 N N 0.503 119.197 118.700 -0.010 0.000 2.080 66 N HA -0.062 4.678 4.740 0.000 0.000 0.189 66 N C 1.897 177.404 175.510 -0.005 0.000 1.036 66 N CA 0.539 53.581 53.050 -0.014 0.000 0.846 66 N CB -0.800 37.670 38.487 -0.027 0.000 1.015 66 N HN -0.037 nan 8.380 nan 0.000 0.423 67 V N 1.360 121.276 119.914 0.004 0.000 2.250 67 V HA -0.306 3.814 4.120 0.000 0.000 0.250 67 V C 2.405 178.497 176.094 -0.004 0.000 1.060 67 V CA 1.787 64.092 62.300 0.008 0.000 1.030 67 V CB -0.414 31.421 31.823 0.019 0.000 0.643 67 V HN 0.212 nan 8.190 nan 0.000 0.445 68 R N -0.544 119.950 120.500 -0.010 0.000 2.096 68 R HA -0.212 4.128 4.340 0.000 0.000 0.240 68 R C 2.456 178.743 176.300 -0.022 0.000 1.139 68 R CA 2.093 58.179 56.100 -0.022 0.000 0.952 68 R CB -0.556 29.728 30.300 -0.027 0.000 0.854 68 R HN 0.613 nan 8.270 nan 0.000 0.436 69 Q N -0.575 119.215 119.800 -0.016 0.000 2.046 69 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 69 Q C 2.032 178.025 176.000 -0.012 0.000 0.975 69 Q CA 1.609 57.403 55.803 -0.015 0.000 0.836 69 Q CB -0.117 28.612 28.738 -0.014 0.000 0.896 69 Q HN 0.398 nan 8.270 nan 0.000 0.428 70 A N 1.118 123.933 122.820 -0.008 0.000 1.873 70 A HA -0.236 4.084 4.320 0.000 0.000 0.218 70 A C 2.315 179.897 177.584 -0.003 0.000 1.193 70 A CA 2.263 54.298 52.037 -0.003 0.000 0.629 70 A CB -1.172 17.829 19.000 0.002 0.000 0.826 70 A HN 0.554 nan 8.150 nan 0.000 0.447 71 A N -0.435 122.382 122.820 -0.006 0.000 1.908 71 A HA 0.100 4.420 4.320 0.000 0.000 0.218 71 A C 2.519 180.094 177.584 -0.015 0.000 1.181 71 A CA 2.429 54.462 52.037 -0.008 0.000 0.627 71 A CB -1.057 17.934 19.000 -0.015 0.000 0.818 71 A HN 1.187 nan 8.150 nan 0.000 0.445 72 A N -0.356 122.451 122.820 -0.021 0.000 1.898 72 A HA -0.151 4.169 4.320 0.000 0.000 0.216 72 A C 1.920 179.495 177.584 -0.015 0.000 1.181 72 A CA 1.547 53.569 52.037 -0.026 0.000 0.620 72 A CB -0.507 18.475 19.000 -0.030 0.000 0.819 72 A HN 0.639 nan 8.150 nan 0.000 0.442 73 E N -0.328 119.867 120.200 -0.010 0.000 2.110 73 E HA -0.109 4.241 4.350 0.000 0.000 0.193 73 E C 1.655 178.255 176.600 0.000 0.000 0.988 73 E CA 0.984 57.382 56.400 -0.005 0.000 0.804 73 E CB -0.207 29.491 29.700 -0.004 0.000 0.745 73 E HN 0.591 nan 8.360 nan 0.000 0.458 74 L N -0.399 120.826 121.223 0.003 0.000 2.558 74 L HA 0.106 4.446 4.340 0.000 0.000 0.225 74 L C 1.075 177.953 176.870 0.014 0.000 1.128 74 L CA 0.292 55.138 54.840 0.010 0.000 0.868 74 L CB 0.043 42.111 42.059 0.014 0.000 1.006 74 L HN 0.262 nan 8.230 nan 0.000 0.454 75 G N 1.330 110.133 108.800 0.006 0.000 2.272 75 G HA2 -0.221 3.739 3.960 0.000 0.000 0.280 75 G HA3 -0.221 3.739 3.960 0.000 0.000 0.280 75 G C -0.000 174.908 174.900 0.014 0.000 1.067 75 G CA 0.399 45.503 45.100 0.007 0.000 0.902 75 G HN 0.295 nan 8.290 nan 0.000 0.500 76 V N -4.094 115.824 119.914 0.005 0.000 3.155 76 V HA 0.877 4.997 4.120 0.000 0.000 0.313 76 V C -0.357 175.728 176.094 -0.014 0.000 1.162 76 V CA -1.844 60.463 62.300 0.011 0.000 1.048 76 V CB 2.236 34.076 31.823 0.029 0.000 1.092 76 V HN 0.146 nan 8.190 nan 0.000 0.447 77 N N 1.906 120.599 118.700 -0.012 0.000 2.479 77 N HA 0.548 5.288 4.740 0.000 0.000 0.261 77 N C -1.379 174.125 175.510 -0.010 0.000 0.979 77 N CA -0.260 52.772 53.050 -0.031 0.000 0.930 77 N CB 1.708 40.166 38.487 -0.049 0.000 1.172 77 N HN 0.570 nan 8.380 nan 0.000 0.499 78 I N 1.692 122.255 120.570 -0.012 0.000 2.354 78 I HA 0.278 4.448 4.170 0.000 0.000 0.286 78 I C 0.624 176.737 176.117 -0.007 0.000 1.007 78 I CA -1.347 59.955 61.300 0.003 0.000 1.167 78 I CB 0.565 38.571 38.000 0.011 0.000 1.320 78 I HN 0.372 nan 8.210 nan 0.000 0.458 79 A N 7.965 130.784 122.820 -0.002 0.000 2.520 79 A HA 0.371 4.691 4.320 0.000 0.000 0.245 79 A C 0.220 177.789 177.584 -0.026 0.000 1.072 79 A CA 0.076 52.103 52.037 -0.017 0.000 0.761 79 A CB -0.035 18.963 19.000 -0.004 0.000 1.004 79 A HN 0.646 nan 8.150 nan 0.000 0.499 80 I N 1.897 122.434 120.570 -0.054 0.000 2.353 80 I HA 0.461 4.631 4.170 0.000 0.000 0.293 80 I C 0.624 176.647 176.117 -0.158 0.000 0.992 80 I CA -0.035 61.223 61.300 -0.069 0.000 1.268 80 I CB 1.587 39.555 38.000 -0.054 0.000 1.387 80 I HN 0.702 nan 8.210 nan 0.000 0.478 81 A N 7.511 130.194 122.820 -0.228 0.000 2.343 81 A HA 0.630 4.950 4.320 0.000 0.000 0.316 81 A C -0.946 176.374 177.584 -0.439 0.000 1.104 81 A CA -0.529 51.199 52.037 -0.515 0.000 0.768 81 A CB 1.300 19.675 19.000 -1.041 0.000 1.213 81 A HN 0.752 nan 8.150 nan 0.000 0.456 82 L N 2.668 123.612 121.223 -0.464 0.000 2.265 82 L HA 0.366 4.706 4.340 0.000 0.000 0.288 82 L C -0.697 175.945 176.870 -0.379 0.000 1.058 82 L CA -0.463 54.111 54.840 -0.444 0.000 0.809 82 L CB 0.816 42.530 42.059 -0.576 0.000 1.179 82 L HN 0.723 nan 8.230 nan 0.000 0.429 83 D N 3.889 124.180 120.400 -0.182 0.000 2.329 83 D HA 0.132 4.772 4.640 0.000 0.000 0.232 83 D C -0.406 175.909 176.300 0.024 0.000 1.088 83 D CA -0.295 53.724 54.000 0.033 0.000 0.835 83 D CB 1.460 42.390 40.800 0.217 0.000 1.078 83 D HN 0.451 nan 8.370 nan 0.000 0.495 84 T N 3.396 117.960 114.554 0.016 0.000 2.946 84 T HA -0.061 4.289 4.350 0.000 0.000 0.311 84 T C 1.406 176.178 174.700 0.119 0.000 1.063 84 T CA 0.260 62.386 62.100 0.043 0.000 1.139 84 T CB 1.478 70.374 68.868 0.046 0.000 0.994 84 T HN 0.431 nan 8.240 nan 0.000 0.547 85 K N 1.956 122.442 120.400 0.144 0.000 1.965 85 K HA 0.139 4.459 4.320 0.000 0.000 0.214 85 K C 1.168 177.883 176.600 0.192 0.000 1.042 85 K CA 1.362 57.736 56.287 0.145 0.000 0.950 85 K CB -0.470 32.094 32.500 0.107 0.000 0.733 85 K HN 0.934 nan 8.250 nan 0.000 0.441 86 G N -0.432 108.462 108.800 0.157 0.000 2.378 86 G HA2 -0.140 3.820 3.960 0.000 0.000 0.198 86 G HA3 -0.140 3.820 3.960 0.000 0.000 0.198 86 G C -2.633 172.316 174.900 0.082 0.000 1.223 86 G CA -0.227 44.983 45.100 0.184 0.000 1.088 86 G HN 0.254 nan 8.290 nan 0.000 0.530 87 P HA 0.289 nan 4.420 nan 0.000 0.214 87 P C -0.042 177.043 177.300 -0.358 0.000 1.807 87 P CA 0.061 63.061 63.100 -0.167 0.000 0.921 87 P CB -0.206 31.373 31.700 -0.202 0.000 1.835 88 E N 0.882 120.957 120.200 -0.208 0.000 2.398 88 E HA 0.238 4.588 4.350 0.000 0.000 0.263 88 E C 0.112 176.599 176.600 -0.188 0.000 1.046 88 E CA -0.176 56.098 56.400 -0.210 0.000 0.908 88 E CB 0.770 30.466 29.700 -0.007 0.000 0.963 88 E HN 0.327 nan 8.360 nan 0.000 0.431 89 I N 3.484 123.943 120.570 -0.184 0.000 2.410 89 I HA 0.352 4.522 4.170 0.000 0.000 0.286 89 I C 0.015 176.123 176.117 -0.016 0.000 1.009 89 I CA -0.511 60.724 61.300 -0.108 0.000 1.111 89 I CB 1.213 39.122 38.000 -0.152 0.000 1.262 89 I HN 0.249 nan 8.210 nan 0.000 0.443 90 R N 2.959 123.467 120.500 0.014 0.000 2.740 90 R HA 0.524 4.864 4.340 0.000 0.000 0.282 90 R C -0.095 176.249 176.300 0.074 0.000 0.969 90 R CA -0.757 55.383 56.100 0.067 0.000 0.918 90 R CB 2.609 32.961 30.300 0.085 0.000 1.175 90 R HN 0.711 nan 8.270 nan 0.000 0.464 91 T N -0.986 113.662 114.554 0.157 0.000 2.766 91 T HA 0.276 4.626 4.350 0.000 0.000 0.295 91 T C 0.951 175.773 174.700 0.204 0.000 1.024 91 T CA -0.317 61.917 62.100 0.223 0.000 1.018 91 T CB 1.041 70.135 68.868 0.377 0.000 1.002 91 T HN 0.608 nan 8.240 nan 0.000 0.532 92 G N 0.206 109.154 108.800 0.248 0.000 2.486 92 G HA2 0.420 4.380 3.960 0.000 0.000 0.272 92 G HA3 0.420 4.380 3.960 0.000 0.000 0.272 92 G C -0.171 174.730 174.900 0.001 0.000 1.426 92 G CA -0.739 44.507 45.100 0.242 0.000 1.058 92 G HN 0.906 nan 8.290 nan 0.000 0.531 93 Q N -1.473 118.294 119.800 -0.055 0.000 2.171 93 Q HA 0.547 4.887 4.340 0.000 0.000 0.217 93 Q C -1.427 174.383 176.000 -0.316 0.000 0.995 93 Q CA -0.192 55.582 55.803 -0.048 0.000 0.979 93 Q CB 1.450 30.202 28.738 0.023 0.000 1.152 93 Q HN 0.368 nan 8.270 nan 0.000 0.525 94 F N -0.480 119.504 119.950 0.057 0.000 2.563 94 F HA 0.323 4.851 4.527 0.000 0.000 0.316 94 F C -0.372 175.449 175.800 0.034 0.000 1.076 94 F CA -1.127 56.900 58.000 0.044 0.000 0.921 94 F CB 1.591 40.590 39.000 -0.002 0.000 1.209 94 F HN 0.154 nan 8.300 nan 0.000 0.462 95 V N 2.875 122.917 119.914 0.215 0.000 2.572 95 V HA 0.534 4.654 4.120 0.000 0.000 0.291 95 V C 0.690 176.858 176.094 0.123 0.000 1.039 95 V CA 0.340 62.717 62.300 0.129 0.000 1.055 95 V CB 0.253 32.136 31.823 0.100 0.000 0.969 95 V HN 1.081 nan 8.190 nan 0.000 0.482 96 G N 4.462 113.308 108.800 0.078 0.000 2.752 96 G HA2 -0.046 3.914 3.960 0.000 0.000 0.234 96 G HA3 -0.046 3.914 3.960 0.000 0.000 0.234 96 G C 0.899 175.837 174.900 0.064 0.000 1.367 96 G CA 0.009 45.141 45.100 0.053 0.000 0.879 96 G HN 1.318 nan 8.290 nan 0.000 0.563 97 G N -0.459 108.357 108.800 0.028 0.000 2.476 97 G HA2 0.201 4.161 3.960 0.000 0.000 0.218 97 G HA3 0.201 4.161 3.960 0.000 0.000 0.218 97 G C 0.726 175.643 174.900 0.028 0.000 1.164 97 G CA 2.769 47.881 45.100 0.020 0.000 0.768 97 G HN 1.664 nan 8.290 nan 0.000 0.560 98 D N -2.634 117.741 120.400 -0.042 0.000 3.703 98 D HA 0.615 5.255 4.640 0.000 0.000 0.315 98 D C 0.812 176.834 176.300 -0.463 0.000 1.464 98 D CA 0.177 54.016 54.000 -0.268 0.000 0.982 98 D CB 0.261 40.897 40.800 -0.273 0.000 1.391 98 D HN 0.208 nan 8.370 nan 0.000 0.625 99 A N -0.487 121.940 122.820 -0.656 0.000 2.284 99 A HA 0.698 5.018 4.320 0.000 0.000 0.219 99 A C 0.469 177.888 177.584 -0.275 0.000 2.353 99 A CA 1.558 53.252 52.037 -0.572 0.000 1.164 99 A CB -0.485 18.029 19.000 -0.809 0.000 1.293 99 A HN 1.669 nan 8.150 nan 0.000 0.586 100 V N -3.078 116.675 119.914 -0.268 0.000 6.865 100 V HA -0.111 4.009 4.120 0.000 0.000 0.364 100 V C -0.504 175.517 176.094 -0.122 0.000 0.399 100 V CA 0.363 62.557 62.300 -0.176 0.000 0.768 100 V CB -3.181 28.568 31.823 -0.123 0.000 0.415 100 V HN 0.579 nan 8.190 nan 0.000 1.031 101 M N 2.814 122.333 119.600 -0.134 0.000 2.303 101 M HA 0.477 4.957 4.480 0.000 0.000 0.350 101 M C 0.512 176.791 176.300 -0.036 0.000 1.518 101 M CA 0.885 56.148 55.300 -0.063 0.000 1.070 101 M CB 0.117 32.682 32.600 -0.057 0.000 1.910 101 M HN 0.652 nan 8.290 nan 0.000 0.458 102 E N 2.325 122.517 120.200 -0.013 0.000 2.222 102 E HA 0.289 4.639 4.350 0.000 0.000 0.267 102 E C 0.583 177.185 176.600 0.003 0.000 0.963 102 E CA -0.424 55.972 56.400 -0.006 0.000 0.837 102 E CB 1.363 31.061 29.700 -0.004 0.000 1.183 102 E HN 0.582 nan 8.360 nan 0.000 0.403 103 R N 1.546 122.048 120.500 0.004 0.000 2.082 103 R HA -0.107 4.233 4.340 0.000 0.000 0.228 103 R C 1.859 178.162 176.300 0.004 0.000 1.140 103 R CA 1.977 58.079 56.100 0.004 0.000 0.920 103 R CB -0.872 29.430 30.300 0.003 0.000 0.828 103 R HN 0.656 nan 8.270 nan 0.000 0.430 104 G N 0.555 109.357 108.800 0.003 0.000 2.479 104 G HA2 -0.146 3.814 3.960 0.000 0.000 0.220 104 G HA3 -0.146 3.814 3.960 0.000 0.000 0.220 104 G C 0.430 175.329 174.900 -0.002 0.000 1.115 104 G CA 0.631 45.731 45.100 0.001 0.000 0.757 104 G HN 0.612 nan 8.290 nan 0.000 0.560 105 A N 0.083 122.903 122.820 0.000 0.000 2.520 105 A HA 0.493 4.813 4.320 0.000 0.000 0.235 105 A C 0.566 178.136 177.584 -0.025 0.000 1.065 105 A CA 0.382 52.418 52.037 -0.001 0.000 0.764 105 A CB 0.180 19.187 19.000 0.012 0.000 1.002 105 A HN 0.226 nan 8.150 nan 0.000 0.502 106 T N 1.099 115.626 114.554 -0.045 0.000 2.824 106 T HA 0.566 4.916 4.350 0.000 0.000 0.280 106 T C -0.060 174.531 174.700 -0.182 0.000 0.995 106 T CA -0.039 61.984 62.100 -0.128 0.000 1.009 106 T CB 0.538 69.327 68.868 -0.130 0.000 0.955 106 T HN 1.366 nan 8.240 nan 0.000 0.452 107 C N 1.637 120.740 119.300 -0.328 0.000 3.241 107 C HA 0.851 5.311 4.460 0.000 0.000 0.312 107 C C -1.833 172.824 174.990 -0.555 0.000 1.350 107 C CA -1.338 57.520 59.018 -0.266 0.000 1.415 107 C CB 0.078 27.838 27.740 0.033 0.000 1.770 107 C HN 0.841 nan 8.230 nan 0.000 0.466 108 Y N 0.230 120.507 120.300 -0.037 0.000 2.429 108 Y HA 0.726 5.276 4.550 0.000 0.000 0.342 108 Y C 0.000 175.715 175.900 -0.308 0.000 1.004 108 Y CA -0.955 57.058 58.100 -0.145 0.000 1.075 108 Y CB 2.075 40.456 38.460 -0.132 0.000 1.214 108 Y HN 0.620 nan 8.280 nan 0.000 0.455 109 V N 2.711 122.485 119.914 -0.232 0.000 2.443 109 V HA 0.451 4.571 4.120 0.000 0.000 0.293 109 V C -0.399 175.528 176.094 -0.280 0.000 1.021 109 V CA -0.739 61.286 62.300 -0.458 0.000 0.848 109 V CB 1.765 33.288 31.823 -0.501 0.000 0.998 109 V HN 0.908 nan 8.190 nan 0.000 0.424 110 T N 0.085 114.475 114.554 -0.274 0.000 2.940 110 T HA 0.442 4.792 4.350 0.000 0.000 0.288 110 T C 0.675 175.341 174.700 -0.056 0.000 1.033 110 T CA 0.064 62.059 62.100 -0.174 0.000 1.033 110 T CB 1.752 70.460 68.868 -0.267 0.000 1.079 110 T HN 0.699 nan 8.240 nan 0.000 0.496 111 T N -1.931 112.616 114.554 -0.012 0.000 3.223 111 T HA 0.187 4.537 4.350 0.000 0.000 0.259 111 T C 0.026 174.875 174.700 0.248 0.000 1.015 111 T CA -0.477 61.650 62.100 0.045 0.000 0.908 111 T CB -0.341 68.494 68.868 -0.055 0.000 1.054 111 T HN 0.630 nan 8.240 nan 0.000 0.567 112 D N 3.076 123.632 120.400 0.259 0.000 2.365 112 D HA 0.228 4.868 4.640 0.000 0.000 0.237 112 D C -1.176 175.258 176.300 0.223 0.000 1.190 112 D CA -2.555 51.591 54.000 0.242 0.000 0.867 112 D CB 1.880 42.824 40.800 0.239 0.000 1.050 112 D HN 0.051 nan 8.370 nan 0.000 0.491 113 P HA -0.174 nan 4.420 nan 0.000 0.218 113 P C 1.047 178.152 177.300 -0.326 0.000 1.146 113 P CA 0.787 63.664 63.100 -0.371 0.000 0.813 113 P CB 0.140 31.757 31.700 -0.140 0.000 0.778 114 A N -0.967 121.786 122.820 -0.111 0.000 2.076 114 A HA -0.142 4.178 4.320 0.000 0.000 0.220 114 A C 1.654 179.077 177.584 -0.269 0.000 1.160 114 A CA 1.168 53.103 52.037 -0.170 0.000 0.653 114 A CB -1.638 17.270 19.000 -0.153 0.000 0.801 114 A HN 0.151 nan 8.150 nan 0.000 0.455 115 F N -0.949 118.890 119.950 -0.186 0.000 2.732 115 F HA 0.328 4.855 4.527 0.000 0.000 0.303 115 F C 2.203 177.893 175.800 -0.183 0.000 1.110 115 F CA 0.105 58.034 58.000 -0.119 0.000 1.355 115 F CB -0.062 38.936 39.000 -0.003 0.000 1.081 115 F HN 0.251 nan 8.300 nan 0.000 0.565 116 A N 0.630 123.271 122.820 -0.298 0.000 1.832 116 A HA -0.210 4.110 4.320 0.000 0.000 0.214 116 A C 2.178 179.689 177.584 -0.121 0.000 1.200 116 A CA 1.937 53.787 52.037 -0.311 0.000 0.610 116 A CB -0.878 17.799 19.000 -0.537 0.000 0.842 116 A HN 0.391 nan 8.150 nan 0.000 0.444 117 D N -0.741 119.578 120.400 -0.135 0.000 2.378 117 D HA -0.058 4.582 4.640 0.000 0.000 0.227 117 D C 0.461 176.722 176.300 -0.065 0.000 1.012 117 D CA 0.787 54.737 54.000 -0.083 0.000 0.905 117 D CB -0.108 40.642 40.800 -0.082 0.000 0.895 117 D HN 0.438 nan 8.370 nan 0.000 0.532 118 K N 0.391 120.749 120.400 -0.070 0.000 3.350 118 K HA 0.326 4.646 4.320 0.000 0.000 0.181 118 K C 0.154 176.768 176.600 0.023 0.000 1.064 118 K CA -0.388 55.876 56.287 -0.039 0.000 0.839 118 K CB 1.427 33.876 32.500 -0.085 0.000 0.819 118 K HN 0.037 nan 8.250 nan 0.000 0.523 119 G N 0.476 109.270 108.800 -0.009 0.000 2.527 119 G HA2 0.244 4.204 3.960 0.000 0.000 0.248 119 G HA3 0.244 4.204 3.960 0.000 0.000 0.248 119 G C -0.191 174.776 174.900 0.112 0.000 1.231 119 G CA 0.232 45.313 45.100 -0.031 0.000 0.838 119 G HN 0.144 nan 8.290 nan 0.000 0.570 120 T N -1.368 113.354 114.554 0.279 0.000 2.864 120 T HA 0.424 4.774 4.350 0.000 0.000 0.299 120 T C 1.031 176.032 174.700 0.502 0.000 1.166 120 T CA -0.448 61.891 62.100 0.397 0.000 1.007 120 T CB 1.631 70.661 68.868 0.270 0.000 1.219 120 T HN 0.563 nan 8.240 nan 0.000 0.506 121 K N 1.076 121.685 120.400 0.347 0.000 2.504 121 K HA 0.150 4.470 4.320 0.000 0.000 0.195 121 K C 0.834 177.593 176.600 0.265 0.000 1.036 121 K CA 1.186 57.618 56.287 0.242 0.000 0.984 121 K CB 0.154 32.691 32.500 0.063 0.000 0.788 121 K HN 0.440 nan 8.250 nan 0.000 0.488 122 D N 0.589 121.157 120.400 0.279 0.000 2.323 122 D HA 0.009 4.649 4.640 0.000 0.000 0.218 122 D C -0.071 176.425 176.300 0.328 0.000 0.973 122 D CA 0.831 54.989 54.000 0.262 0.000 0.890 122 D CB 0.376 41.307 40.800 0.218 0.000 1.011 122 D HN 0.387 nan 8.370 nan 0.000 0.499 123 K N 0.311 120.922 120.400 0.351 0.000 2.525 123 K HA 0.424 4.744 4.320 0.000 0.000 0.254 123 K C -1.467 175.338 176.600 0.342 0.000 0.934 123 K CA -0.843 55.608 56.287 0.274 0.000 0.802 123 K CB 1.594 34.169 32.500 0.126 0.000 1.295 123 K HN -0.102 nan 8.250 nan 0.000 0.433 124 F N 0.074 120.068 119.950 0.074 0.000 2.664 124 F HA 0.561 5.088 4.527 0.000 0.000 0.317 124 F C -1.654 174.180 175.800 0.058 0.000 1.108 124 F CA -1.446 56.573 58.000 0.031 0.000 0.957 124 F CB 0.622 39.589 39.000 -0.056 0.000 1.365 124 F HN 0.486 nan 8.300 nan 0.000 0.475 125 Y N 2.107 122.458 120.300 0.085 0.000 2.320 125 Y HA 0.741 5.291 4.550 0.000 0.000 0.324 125 Y C -0.936 175.006 175.900 0.069 0.000 1.190 125 Y CA -1.683 56.433 58.100 0.027 0.000 1.215 125 Y CB 0.978 39.482 38.460 0.074 0.000 1.221 125 Y HN 0.601 nan 8.280 nan 0.000 0.486 126 I N 5.109 125.330 120.570 -0.581 0.000 2.499 126 I HA 0.146 4.316 4.170 0.000 0.000 0.288 126 I C -0.279 175.271 176.117 -0.944 0.000 1.048 126 I CA -0.685 60.300 61.300 -0.525 0.000 1.062 126 I CB 2.114 39.988 38.000 -0.210 0.000 1.238 126 I HN 0.729 nan 8.210 nan 0.000 0.426 127 D N 4.160 124.130 120.400 -0.717 0.000 2.348 127 D HA -0.217 4.423 4.640 0.000 0.000 0.216 127 D C 0.608 176.851 176.300 -0.095 0.000 0.970 127 D CA 0.553 54.282 54.000 -0.450 0.000 0.889 127 D CB -0.029 40.739 40.800 -0.053 0.000 0.912 127 D HN 0.346 nan 8.370 nan 0.000 0.524 128 Y N 1.987 122.168 120.300 -0.199 0.000 2.680 128 Y HA 0.144 4.694 4.550 0.000 0.000 0.356 128 Y C 1.353 177.200 175.900 -0.089 0.000 1.122 128 Y CA -0.831 57.202 58.100 -0.111 0.000 1.509 128 Y CB 0.238 38.641 38.460 -0.096 0.000 1.245 128 Y HN -0.156 nan 8.280 nan 0.000 0.513 129 Q N 3.154 122.849 119.800 -0.177 0.000 2.181 129 Q HA -0.170 4.170 4.340 0.000 0.000 0.205 129 Q C 0.719 176.497 176.000 -0.369 0.000 0.980 129 Q CA 1.814 57.495 55.803 -0.203 0.000 0.862 129 Q CB -0.012 28.681 28.738 -0.076 0.000 0.905 129 Q HN 0.676 nan 8.270 nan 0.000 0.429 130 N N 0.225 118.491 118.700 -0.724 0.000 2.389 130 N HA -0.007 4.733 4.740 0.000 0.000 0.237 130 N C 0.750 175.821 175.510 -0.732 0.000 1.148 130 N CA -0.018 52.644 53.050 -0.646 0.000 0.854 130 N CB 0.377 38.548 38.487 -0.526 0.000 1.115 130 N HN 0.236 nan 8.380 nan 0.000 0.492 131 L N 1.158 122.009 121.223 -0.620 0.000 1.988 131 L HA -0.098 4.242 4.340 0.000 0.000 0.207 131 L C 1.978 178.782 176.870 -0.110 0.000 1.071 131 L CA 1.880 56.548 54.840 -0.287 0.000 0.744 131 L CB -0.741 41.232 42.059 -0.143 0.000 0.893 131 L HN 0.060 nan 8.230 nan 0.000 0.433 132 S N -1.431 114.222 115.700 -0.079 0.000 2.555 132 S HA -0.069 4.401 4.470 0.000 0.000 0.230 132 S C 1.653 176.260 174.600 0.012 0.000 0.978 132 S CA 0.659 58.888 58.200 0.049 0.000 0.934 132 S CB -0.421 62.827 63.200 0.080 0.000 0.766 132 S HN 0.443 nan 8.310 nan 0.000 0.533 133 K N 0.335 120.693 120.400 -0.070 0.000 2.374 133 K HA 0.331 4.651 4.320 0.000 0.000 0.196 133 K C 0.941 177.524 176.600 -0.029 0.000 1.023 133 K CA 0.073 56.317 56.287 -0.071 0.000 1.103 133 K CB 0.564 33.007 32.500 -0.096 0.000 0.848 133 K HN 0.219 nan 8.250 nan 0.000 0.528 134 V N 0.033 119.946 119.914 -0.001 0.000 3.485 134 V HA 0.153 4.273 4.120 0.000 0.000 0.280 134 V C -0.397 175.731 176.094 0.057 0.000 1.495 134 V CA -0.064 62.257 62.300 0.036 0.000 1.018 134 V CB 1.354 33.221 31.823 0.072 0.000 0.818 134 V HN -0.197 nan 8.190 nan 0.000 0.436 135 V N 3.198 123.152 119.914 0.066 0.000 2.483 135 V HA 0.562 4.682 4.120 0.000 0.000 0.295 135 V C 0.007 176.126 176.094 0.042 0.000 1.035 135 V CA -0.639 61.688 62.300 0.045 0.000 0.896 135 V CB 1.730 33.565 31.823 0.020 0.000 0.986 135 V HN 0.358 nan 8.190 nan 0.000 0.447 136 R N 5.024 125.523 120.500 -0.001 0.000 2.720 136 R HA 0.496 4.836 4.340 0.000 0.000 0.272 136 R C -2.697 173.541 176.300 -0.103 0.000 0.991 136 R CA -2.113 53.974 56.100 -0.022 0.000 1.010 136 R CB 1.098 31.393 30.300 -0.008 0.000 1.141 136 R HN 0.393 nan 8.270 nan 0.000 0.494 137 P HA -0.007 nan 4.420 nan 0.000 0.267 137 P C 0.502 177.718 177.300 -0.141 0.000 1.205 137 P CA 0.692 63.699 63.100 -0.154 0.000 0.765 137 P CB 0.793 32.416 31.700 -0.129 0.000 0.828 138 G N 2.950 111.629 108.800 -0.202 0.000 2.391 138 G HA2 -0.177 3.783 3.960 0.000 0.000 0.204 138 G HA3 -0.177 3.783 3.960 0.000 0.000 0.204 138 G C 0.198 174.838 174.900 -0.434 0.000 1.012 138 G CA -0.454 44.495 45.100 -0.252 0.000 0.651 138 G HN 0.567 nan 8.290 nan 0.000 0.494 139 N N -0.120 118.398 118.700 -0.304 0.000 2.371 139 N HA 0.518 5.258 4.740 0.000 0.000 0.243 139 N C -0.722 174.566 175.510 -0.369 0.000 1.287 139 N CA 0.208 53.104 53.050 -0.257 0.000 0.911 139 N CB 0.339 38.784 38.487 -0.070 0.000 1.142 139 N HN 0.336 nan 8.380 nan 0.000 0.451 140 Y N 0.076 120.432 120.300 0.094 0.000 2.468 140 Y HA 0.499 5.049 4.550 0.000 0.000 0.342 140 Y C -0.094 175.923 175.900 0.196 0.000 1.021 140 Y CA -0.821 57.368 58.100 0.149 0.000 1.079 140 Y CB 1.175 39.786 38.460 0.251 0.000 1.226 140 Y HN 0.211 nan 8.280 nan 0.000 0.460 141 I N 3.283 124.051 120.570 0.331 0.000 2.355 141 I HA 0.225 4.395 4.170 0.000 0.000 0.288 141 I C -1.186 175.153 176.117 0.371 0.000 0.999 141 I CA -0.820 60.655 61.300 0.291 0.000 1.163 141 I CB 0.643 38.745 38.000 0.170 0.000 1.316 141 I HN 0.455 nan 8.210 nan 0.000 0.454 142 Y N 6.850 127.217 120.300 0.113 0.000 2.327 142 Y HA 0.530 5.080 4.550 0.000 0.000 0.336 142 Y C 0.150 176.110 175.900 0.101 0.000 1.035 142 Y CA -0.627 57.529 58.100 0.094 0.000 1.165 142 Y CB 0.850 39.352 38.460 0.069 0.000 1.181 142 Y HN 0.339 nan 8.280 nan 0.000 0.494 143 I N 2.652 123.340 120.570 0.196 0.000 2.545 143 I HA 0.218 4.388 4.170 0.000 0.000 0.292 143 I C -0.842 175.344 176.117 0.116 0.000 1.040 143 I CA -1.012 60.388 61.300 0.168 0.000 1.068 143 I CB 1.948 40.056 38.000 0.180 0.000 1.251 143 I HN 0.563 nan 8.210 nan 0.000 0.424 144 D N 4.856 125.328 120.400 0.120 0.000 3.241 144 D HA -0.201 4.439 4.640 0.000 0.000 0.248 144 D C -0.008 176.349 176.300 0.095 0.000 1.093 144 D CA 0.784 54.841 54.000 0.096 0.000 0.940 144 D CB -0.623 40.212 40.800 0.059 0.000 0.980 144 D HN 0.753 nan 8.370 nan 0.000 0.421 145 D N 0.805 121.275 120.400 0.117 0.000 2.983 145 D HA -0.165 4.475 4.640 0.000 0.000 0.225 145 D C 1.223 177.601 176.300 0.130 0.000 1.174 145 D CA 2.812 56.882 54.000 0.116 0.000 0.831 145 D CB -1.299 39.554 40.800 0.088 0.000 1.104 145 D HN 1.354 nan 8.370 nan 0.000 0.421 146 G N -0.362 108.538 108.800 0.167 0.000 2.168 146 G HA2 -0.367 3.593 3.960 0.000 0.000 0.257 146 G HA3 -0.367 3.593 3.960 0.000 0.000 0.257 146 G C 1.073 175.985 174.900 0.021 0.000 0.997 146 G CA 0.831 46.067 45.100 0.228 0.000 0.708 146 G HN 0.905 nan 8.290 nan 0.000 0.520 147 I N -2.339 118.234 120.570 0.004 0.000 3.030 147 I HA 0.575 4.745 4.170 0.000 0.000 0.270 147 I C 0.848 176.916 176.117 -0.082 0.000 1.211 147 I CA 0.016 61.286 61.300 -0.050 0.000 1.479 147 I CB 0.242 38.225 38.000 -0.029 0.000 1.105 147 I HN 0.174 nan 8.210 nan 0.000 0.447 148 L N 2.297 123.485 121.223 -0.059 0.000 2.296 148 L HA 0.617 4.957 4.340 0.000 0.000 0.286 148 L C -1.004 175.800 176.870 -0.110 0.000 1.023 148 L CA -0.434 54.372 54.840 -0.057 0.000 0.812 148 L CB 1.335 43.395 42.059 0.000 0.000 1.223 148 L HN 0.071 nan 8.230 nan 0.000 0.421 149 I N 6.398 126.882 120.570 -0.144 0.000 2.382 149 I HA 0.362 4.532 4.170 0.000 0.000 0.286 149 I C -0.946 175.183 176.117 0.020 0.000 1.002 149 I CA -0.481 60.724 61.300 -0.158 0.000 1.135 149 I CB 1.481 39.255 38.000 -0.376 0.000 1.288 149 I HN 0.495 nan 8.210 nan 0.000 0.448 150 L N 6.094 127.379 121.223 0.103 0.000 2.296 150 L HA 0.517 4.857 4.340 0.000 0.000 0.286 150 L C -0.095 176.859 176.870 0.141 0.000 1.023 150 L CA -0.595 54.311 54.840 0.110 0.000 0.812 150 L CB 1.300 43.420 42.059 0.101 0.000 1.223 150 L HN 0.579 nan 8.230 nan 0.000 0.421 151 Q N 1.791 121.649 119.800 0.097 0.000 2.327 151 Q HA 0.379 4.719 4.340 0.000 0.000 0.254 151 Q C -0.943 174.988 176.000 -0.116 0.000 0.952 151 Q CA -0.557 55.200 55.803 -0.077 0.000 0.884 151 Q CB 1.725 30.386 28.738 -0.129 0.000 1.224 151 Q HN 0.518 nan 8.270 nan 0.000 0.422 152 V N 4.674 124.483 119.914 -0.174 0.000 2.461 152 V HA 0.031 4.151 4.120 0.000 0.000 0.275 152 V C 0.499 176.485 176.094 -0.180 0.000 1.047 152 V CA -0.258 61.941 62.300 -0.167 0.000 0.955 152 V CB 1.360 33.081 31.823 -0.170 0.000 0.988 152 V HN 0.902 nan 8.190 nan 0.000 0.471 153 Q N 2.582 122.280 119.800 -0.169 0.000 2.387 153 Q HA 0.229 4.569 4.340 0.000 0.000 0.208 153 Q C 0.805 176.721 176.000 -0.139 0.000 0.935 153 Q CA 0.907 56.626 55.803 -0.140 0.000 0.891 153 Q CB 0.773 29.441 28.738 -0.116 0.000 1.007 153 Q HN 0.907 nan 8.270 nan 0.000 0.548 154 S N -0.845 114.760 115.700 -0.158 0.000 2.661 154 S HA 0.352 4.822 4.470 0.000 0.000 0.268 154 S C -1.094 173.379 174.600 -0.211 0.000 1.162 154 S CA -0.945 57.152 58.200 -0.171 0.000 0.817 154 S CB 0.931 64.101 63.200 -0.049 0.000 1.141 154 S HN 0.192 nan 8.310 nan 0.000 0.477 155 H N 1.359 120.424 119.070 -0.007 0.000 2.782 155 H HA 0.374 4.931 4.556 0.000 0.000 0.285 155 H C 0.996 176.330 175.328 0.010 0.000 1.093 155 H CA -0.052 55.992 56.048 -0.006 0.000 1.410 155 H CB 1.262 31.013 29.762 -0.019 0.000 1.439 155 H HN 0.831 nan 8.280 nan 0.000 0.469 156 E N 2.659 122.931 120.200 0.121 0.000 2.016 156 E HA -0.128 4.222 4.350 0.000 0.000 0.190 156 E C -0.297 176.325 176.600 0.037 0.000 0.985 156 E CA 1.130 57.577 56.400 0.078 0.000 0.802 156 E CB 0.529 30.270 29.700 0.068 0.000 0.762 156 E HN 0.791 nan 8.360 nan 0.000 0.448 157 D N -2.336 118.080 120.400 0.028 0.000 2.614 157 D HA -0.022 4.618 4.640 0.000 0.000 0.264 157 D C 0.523 176.830 176.300 0.012 0.000 1.092 157 D CA -0.391 53.614 54.000 0.008 0.000 1.071 157 D CB 0.210 41.000 40.800 -0.017 0.000 1.443 157 D HN 0.083 nan 8.370 nan 0.000 0.528 158 E N -0.807 119.379 120.200 -0.024 0.000 2.333 158 E HA -0.327 4.023 4.350 0.000 0.000 0.200 158 E C 0.871 177.449 176.600 -0.037 0.000 1.010 158 E CA 1.419 57.785 56.400 -0.057 0.000 0.841 158 E CB -0.288 29.376 29.700 -0.060 0.000 0.757 158 E HN 0.560 nan 8.360 nan 0.000 0.508 159 Q N -0.102 119.687 119.800 -0.018 0.000 2.211 159 Q HA 0.156 4.496 4.340 0.000 0.000 0.242 159 Q C -0.260 175.720 176.000 -0.033 0.000 0.825 159 Q CA 0.252 56.042 55.803 -0.022 0.000 0.951 159 Q CB 1.664 30.395 28.738 -0.012 0.000 1.130 159 Q HN 0.079 nan 8.270 nan 0.000 0.496 160 T N 0.826 115.366 114.554 -0.022 0.000 2.885 160 T HA 0.579 4.929 4.350 0.000 0.000 0.285 160 T C -0.700 174.012 174.700 0.020 0.000 1.019 160 T CA -0.486 61.588 62.100 -0.043 0.000 1.010 160 T CB 1.561 70.380 68.868 -0.083 0.000 1.022 160 T HN 0.011 nan 8.240 nan 0.000 0.466 161 L N 1.957 123.174 121.223 -0.010 0.000 2.333 161 L HA 0.471 4.811 4.340 0.000 0.000 0.280 161 L C 0.401 177.256 176.870 -0.025 0.000 1.004 161 L CA -0.844 53.973 54.840 -0.039 0.000 0.820 161 L CB 1.900 43.893 42.059 -0.110 0.000 1.247 161 L HN 0.659 nan 8.230 nan 0.000 0.416 162 E N 2.058 122.238 120.200 -0.032 0.000 2.360 162 E HA 0.262 4.612 4.350 0.000 0.000 0.269 162 E C -1.433 175.018 176.600 -0.250 0.000 1.022 162 E CA -0.203 56.075 56.400 -0.204 0.000 0.887 162 E CB 1.029 30.685 29.700 -0.075 0.000 0.990 162 E HN 0.555 nan 8.360 nan 0.000 0.426 163 C N 3.136 122.237 119.300 -0.332 0.000 2.686 163 C HA 0.335 4.795 4.460 0.000 0.000 0.318 163 C C 0.147 175.035 174.990 -0.168 0.000 1.160 163 C CA -0.597 58.300 59.018 -0.203 0.000 1.396 163 C CB 1.851 29.501 27.740 -0.150 0.000 1.924 163 C HN 0.752 nan 8.230 nan 0.000 0.471 164 T N 1.228 115.721 114.554 -0.102 0.000 2.918 164 T HA 0.558 4.908 4.350 0.000 0.000 0.283 164 T C -0.629 174.063 174.700 -0.014 0.000 1.001 164 T CA -0.128 61.936 62.100 -0.060 0.000 1.041 164 T CB 0.746 69.587 68.868 -0.045 0.000 1.028 164 T HN 0.469 nan 8.240 nan 0.000 0.511 165 V N 4.761 124.675 119.914 0.001 0.000 2.275 165 V HA 0.217 4.337 4.120 0.000 0.000 0.272 165 V C 1.201 177.308 176.094 0.021 0.000 1.028 165 V CA -0.423 61.891 62.300 0.022 0.000 0.810 165 V CB 0.681 32.518 31.823 0.023 0.000 1.043 165 V HN 1.120 nan 8.190 nan 0.000 0.453 166 T N 2.756 117.329 114.554 0.032 0.000 2.643 166 T HA -0.048 4.302 4.350 0.000 0.000 0.256 166 T C 1.132 175.826 174.700 -0.009 0.000 1.061 166 T CA 0.757 62.871 62.100 0.023 0.000 1.163 166 T CB -0.112 68.781 68.868 0.042 0.000 0.865 166 T HN 0.510 nan 8.240 nan 0.000 0.407 167 N N 1.803 120.483 118.700 -0.035 0.000 2.294 167 N HA 0.267 5.007 4.740 0.000 0.000 0.248 167 N C -0.598 174.906 175.510 -0.010 0.000 1.300 167 N CA 0.058 53.084 53.050 -0.041 0.000 0.925 167 N CB 0.535 38.975 38.487 -0.078 0.000 1.188 167 N HN 0.521 nan 8.380 nan 0.000 0.512 168 S N -0.436 115.268 115.700 0.006 0.000 2.668 168 S HA 0.446 4.916 4.470 0.000 0.000 0.277 168 S C -1.169 173.499 174.600 0.113 0.000 1.170 168 S CA -0.857 57.362 58.200 0.033 0.000 0.994 168 S CB 1.474 64.688 63.200 0.022 0.000 1.051 168 S HN 0.662 nan 8.310 nan 0.000 0.484 169 H N 0.487 119.519 119.070 -0.063 0.000 3.094 169 H HA 0.319 4.875 4.556 0.000 0.000 0.346 169 H C -0.914 174.354 175.328 -0.100 0.000 1.238 169 H CA -0.407 55.598 56.048 -0.071 0.000 1.209 169 H CB 2.187 31.911 29.762 -0.064 0.000 1.911 169 H HN 0.825 nan 8.280 nan 0.000 0.540 170 T N 3.080 117.373 114.554 -0.434 0.000 2.930 170 T HA 0.430 4.780 4.350 0.000 0.000 0.306 170 T C 0.228 174.763 174.700 -0.275 0.000 1.045 170 T CA -0.273 61.616 62.100 -0.353 0.000 1.134 170 T CB -0.318 68.329 68.868 -0.368 0.000 0.961 170 T HN 0.410 nan 8.240 nan 0.000 0.545 171 I N 1.081 121.461 120.570 -0.317 0.000 2.686 171 I HA 0.661 4.831 4.170 0.000 0.000 0.295 171 I C -0.017 175.890 176.117 -0.349 0.000 1.114 171 I CA -0.945 60.189 61.300 -0.277 0.000 1.038 171 I CB 2.338 40.175 38.000 -0.272 0.000 1.238 171 I HN 0.465 nan 8.210 nan 0.000 0.420 172 S N 2.299 117.902 115.700 -0.163 0.000 2.671 172 S HA 0.260 4.730 4.470 0.000 0.000 0.272 172 S C -0.431 174.208 174.600 0.065 0.000 1.174 172 S CA -0.608 57.546 58.200 -0.077 0.000 1.004 172 S CB 0.300 63.498 63.200 -0.003 0.000 1.077 172 S HN 0.668 nan 8.310 nan 0.000 0.553 173 D N 1.104 121.613 120.400 0.181 0.000 2.472 173 D HA 0.116 4.756 4.640 0.000 0.000 0.237 173 D C -0.061 176.381 176.300 0.236 0.000 1.141 173 D CA 0.604 54.783 54.000 0.299 0.000 0.875 173 D CB 0.002 40.918 40.800 0.193 0.000 1.192 173 D HN 0.369 nan 8.370 nan 0.000 0.450 174 R N 1.163 121.811 120.500 0.247 0.000 2.709 174 R HA -0.204 4.136 4.340 0.000 0.000 0.275 174 R C -0.249 176.164 176.300 0.188 0.000 0.947 174 R CA 0.609 56.828 56.100 0.199 0.000 0.784 174 R CB -0.849 29.555 30.300 0.173 0.000 2.000 174 R HN 0.303 nan 8.270 nan 0.000 0.517 175 R N 0.633 121.247 120.500 0.190 0.000 2.828 175 R HA 0.417 4.757 4.340 0.000 0.000 0.264 175 R C 0.602 176.993 176.300 0.151 0.000 1.022 175 R CA -0.565 55.632 56.100 0.161 0.000 1.021 175 R CB 1.158 31.541 30.300 0.139 0.000 1.163 175 R HN 0.415 nan 8.270 nan 0.000 0.494 176 G N 0.739 109.625 108.800 0.143 0.000 2.346 176 G HA2 0.298 4.258 3.960 0.000 0.000 0.275 176 G HA3 0.298 4.258 3.960 0.000 0.000 0.275 176 G C -0.210 174.770 174.900 0.132 0.000 1.190 176 G CA -0.252 44.928 45.100 0.135 0.000 1.015 176 G HN 0.179 nan 8.290 nan 0.000 0.441 177 V N 4.646 124.622 119.914 0.102 0.000 2.427 177 V HA 0.394 4.514 4.120 0.000 0.000 0.286 177 V C -0.233 175.891 176.094 0.049 0.000 1.034 177 V CA -0.958 61.407 62.300 0.108 0.000 0.893 177 V CB 1.410 33.295 31.823 0.104 0.000 0.982 177 V HN 0.766 nan 8.190 nan 0.000 0.452 178 N N 5.172 123.924 118.700 0.087 0.000 2.295 178 N HA 0.529 5.269 4.740 0.000 0.000 0.293 178 N C -1.346 174.176 175.510 0.020 0.000 1.040 178 N CA -0.570 52.485 53.050 0.007 0.000 0.840 178 N CB 2.892 41.374 38.487 -0.007 0.000 1.468 178 N HN 0.434 nan 8.380 nan 0.000 0.478 179 L N 2.453 123.660 121.223 -0.026 0.000 2.371 179 L HA 0.371 4.711 4.340 0.000 0.000 0.262 179 L C -2.151 174.702 176.870 -0.029 0.000 1.054 179 L CA -1.654 53.194 54.840 0.012 0.000 0.924 179 L CB 0.649 42.735 42.059 0.045 0.000 1.295 179 L HN 0.212 nan 8.230 nan 0.000 0.441 180 P HA 0.079 nan 4.420 nan 0.000 0.268 180 P C 0.871 178.182 177.300 0.017 0.000 1.204 180 P CA 0.498 63.553 63.100 -0.074 0.000 0.768 180 P CB 1.226 32.807 31.700 -0.198 0.000 0.842 181 G N 1.249 110.067 108.800 0.031 0.000 2.147 181 G HA2 -0.198 3.762 3.960 0.000 0.000 0.244 181 G HA3 -0.198 3.762 3.960 0.000 0.000 0.244 181 G C -0.115 174.808 174.900 0.038 0.000 1.005 181 G CA -0.107 45.020 45.100 0.044 0.000 0.713 181 G HN 0.734 nan 8.290 nan 0.000 0.515 182 C N -0.341 118.978 119.300 0.032 0.000 2.609 182 C HA 0.499 4.959 4.460 0.000 0.000 0.313 182 C C -0.066 174.941 174.990 0.028 0.000 1.175 182 C CA -1.196 57.846 59.018 0.040 0.000 1.434 182 C CB 1.695 29.473 27.740 0.063 0.000 2.005 182 C HN 0.455 nan 8.230 nan 0.000 0.471 183 D N 1.877 122.297 120.400 0.034 0.000 2.367 183 D HA 0.235 4.875 4.640 0.000 0.000 0.255 183 D C 0.054 176.380 176.300 0.042 0.000 1.300 183 D CA 0.297 54.310 54.000 0.022 0.000 0.959 183 D CB 0.490 41.305 40.800 0.024 0.000 1.064 183 D HN 0.319 nan 8.370 nan 0.000 0.509 184 V N 3.391 123.293 119.914 -0.021 0.000 2.425 184 V HA -0.025 4.095 4.120 0.000 0.000 0.276 184 V C 1.110 177.171 176.094 -0.054 0.000 1.017 184 V CA -0.133 62.107 62.300 -0.100 0.000 1.062 184 V CB 0.530 32.159 31.823 -0.323 0.000 0.997 184 V HN 0.554 nan 8.190 nan 0.000 0.476 185 D N 3.830 124.278 120.400 0.080 0.000 2.348 185 D HA -0.067 4.573 4.640 0.000 0.000 0.216 185 D C 0.612 176.929 176.300 0.028 0.000 0.970 185 D CA 0.171 54.214 54.000 0.071 0.000 0.889 185 D CB -0.151 40.721 40.800 0.121 0.000 0.912 185 D HN 0.503 nan 8.370 nan 0.000 0.524 186 L N 1.072 122.277 121.223 -0.030 0.000 2.543 186 L HA 0.159 4.499 4.340 0.000 0.000 0.285 186 L C -1.867 174.979 176.870 -0.040 0.000 1.236 186 L CA -1.229 53.583 54.840 -0.048 0.000 0.871 186 L CB -0.248 41.713 42.059 -0.164 0.000 1.121 186 L HN 0.045 nan 8.230 nan 0.000 0.501 187 P HA 0.225 nan 4.420 nan 0.000 0.292 187 P C -0.101 177.202 177.300 0.006 0.000 1.283 187 P CA -0.660 62.441 63.100 0.001 0.000 0.835 187 P CB 1.619 33.328 31.700 0.016 0.000 1.017 188 A N 2.611 125.440 122.820 0.016 0.000 2.070 188 A HA -0.011 4.309 4.320 0.000 0.000 0.220 188 A C 0.961 178.574 177.584 0.049 0.000 1.159 188 A CA 1.208 53.269 52.037 0.039 0.000 0.656 188 A CB -0.501 18.525 19.000 0.044 0.000 0.800 188 A HN 0.433 nan 8.150 nan 0.000 0.453 189 V N 1.738 121.674 119.914 0.037 0.000 2.320 189 V HA 0.411 4.531 4.120 0.000 0.000 0.268 189 V C 0.125 176.243 176.094 0.039 0.000 1.021 189 V CA -0.163 62.161 62.300 0.041 0.000 0.813 189 V CB 0.476 32.320 31.823 0.034 0.000 1.054 189 V HN 0.529 nan 8.190 nan 0.000 0.444 190 S N 4.808 120.533 115.700 0.043 0.000 2.624 190 S HA 0.619 5.089 4.470 0.000 0.000 0.263 190 S C 1.762 176.391 174.600 0.049 0.000 1.287 190 S CA 0.070 58.295 58.200 0.041 0.000 0.990 190 S CB 1.572 64.794 63.200 0.037 0.000 0.950 190 S HN 1.500 nan 8.310 nan 0.000 0.561 191 A N 1.306 124.154 122.820 0.047 0.000 1.923 191 A HA -0.279 4.041 4.320 0.000 0.000 0.222 191 A C 2.155 179.777 177.584 0.063 0.000 1.258 191 A CA 2.365 54.432 52.037 0.050 0.000 0.670 191 A CB -1.168 17.859 19.000 0.045 0.000 0.834 191 A HN 0.898 nan 8.150 nan 0.000 0.470 192 K N -1.016 119.423 120.400 0.065 0.000 2.057 192 K HA -0.177 4.143 4.320 0.000 0.000 0.206 192 K C 1.501 178.169 176.600 0.113 0.000 1.050 192 K CA 1.578 57.913 56.287 0.080 0.000 0.935 192 K CB -0.303 32.236 32.500 0.065 0.000 0.715 192 K HN 0.550 nan 8.250 nan 0.000 0.439 193 D N 0.379 120.837 120.400 0.098 0.000 2.117 193 D HA -0.199 4.441 4.640 0.000 0.000 0.197 193 D C 2.004 178.359 176.300 0.093 0.000 0.987 193 D CA 0.949 55.009 54.000 0.100 0.000 0.829 193 D CB -0.194 40.650 40.800 0.073 0.000 0.961 193 D HN 0.252 nan 8.370 nan 0.000 0.460 194 R N 0.836 121.383 120.500 0.079 0.000 2.103 194 R HA -0.135 4.205 4.340 0.000 0.000 0.242 194 R C 2.133 178.490 176.300 0.095 0.000 1.142 194 R CA 1.113 57.255 56.100 0.070 0.000 0.960 194 R CB -0.071 30.264 30.300 0.058 0.000 0.858 194 R HN 0.036 nan 8.270 nan 0.000 0.439 195 V N 0.784 120.776 119.914 0.130 0.000 2.649 195 V HA -0.128 3.992 4.120 0.000 0.000 0.248 195 V C 1.488 177.750 176.094 0.280 0.000 1.054 195 V CA 1.539 63.948 62.300 0.181 0.000 1.073 195 V CB -0.252 31.682 31.823 0.185 0.000 0.699 195 V HN 0.307 nan 8.190 nan 0.000 0.463 196 D N 0.361 120.948 120.400 0.311 0.000 2.144 196 D HA -0.099 4.541 4.640 0.000 0.000 0.199 196 D C 2.093 178.518 176.300 0.208 0.000 0.984 196 D CA 1.212 55.480 54.000 0.446 0.000 0.834 196 D CB -0.035 41.010 40.800 0.408 0.000 0.955 196 D HN 0.325 nan 8.370 nan 0.000 0.465 197 L N 0.350 121.623 121.223 0.084 0.000 2.179 197 L HA -0.079 4.261 4.340 0.000 0.000 0.208 197 L C 2.446 179.317 176.870 0.001 0.000 1.096 197 L CA 0.703 55.536 54.840 -0.011 0.000 0.779 197 L CB -0.132 41.918 42.059 -0.015 0.000 0.922 197 L HN -0.026 nan 8.230 nan 0.000 0.443 198 Q N -0.893 118.940 119.800 0.054 0.000 2.172 198 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 198 Q C 2.087 178.106 176.000 0.032 0.000 0.964 198 Q CA 1.388 57.212 55.803 0.036 0.000 0.855 198 Q CB -0.064 28.709 28.738 0.059 0.000 0.918 198 Q HN 0.414 nan 8.270 nan 0.000 0.444 199 F N 0.741 120.643 119.950 -0.081 0.000 2.171 199 F HA -0.071 4.456 4.527 0.000 0.000 0.300 199 F C 1.954 177.692 175.800 -0.104 0.000 1.090 199 F CA 1.715 59.620 58.000 -0.159 0.000 1.293 199 F CB -0.544 38.215 39.000 -0.401 0.000 1.013 199 F HN -0.026 nan 8.300 nan 0.000 0.486 200 G N -0.077 108.584 108.800 -0.231 0.000 2.422 200 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 200 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 200 G C 1.718 176.449 174.900 -0.282 0.000 1.140 200 G CA 1.081 45.979 45.100 -0.337 0.000 0.775 200 G HN 0.354 nan 8.290 nan 0.000 0.545 201 V N 0.674 120.475 119.914 -0.189 0.000 2.307 201 V HA -0.141 3.979 4.120 0.000 0.000 0.245 201 V C 2.674 178.677 176.094 -0.152 0.000 1.045 201 V CA 2.224 64.440 62.300 -0.140 0.000 1.024 201 V CB -0.537 31.236 31.823 -0.084 0.000 0.651 201 V HN 0.432 nan 8.190 nan 0.000 0.449 202 E N -0.240 119.861 120.200 -0.166 0.000 2.038 202 E HA -0.253 4.097 4.350 0.000 0.000 0.195 202 E C 2.244 178.723 176.600 -0.202 0.000 1.000 202 E CA 1.286 57.594 56.400 -0.152 0.000 0.803 202 E CB -0.203 29.423 29.700 -0.122 0.000 0.750 202 E HN 0.442 nan 8.360 nan 0.000 0.448 203 Q N -0.474 119.116 119.800 -0.349 0.000 2.500 203 Q HA 0.009 4.349 4.340 0.000 0.000 0.213 203 Q C 0.648 176.512 176.000 -0.227 0.000 0.974 203 Q CA 0.935 56.532 55.803 -0.344 0.000 0.918 203 Q CB 0.205 28.572 28.738 -0.617 0.000 0.980 203 Q HN 0.417 nan 8.270 nan 0.000 0.505 204 G N 1.262 109.944 108.800 -0.197 0.000 2.353 204 G HA2 -0.237 3.723 3.960 0.000 0.000 0.294 204 G HA3 -0.237 3.723 3.960 0.000 0.000 0.294 204 G C 0.316 175.131 174.900 -0.140 0.000 1.077 204 G CA 0.305 45.321 45.100 -0.141 0.000 1.098 204 G HN 0.341 nan 8.290 nan 0.000 0.511 205 V N -2.610 117.204 119.914 -0.168 0.000 3.185 205 V HA 0.533 4.653 4.120 0.000 0.000 0.305 205 V C 1.052 177.067 176.094 -0.132 0.000 1.090 205 V CA 0.620 62.824 62.300 -0.160 0.000 1.107 205 V CB 1.217 32.917 31.823 -0.205 0.000 1.061 205 V HN 0.242 nan 8.190 nan 0.000 0.480 206 D N 1.529 121.851 120.400 -0.130 0.000 2.379 206 D HA 0.194 4.834 4.640 0.000 0.000 0.218 206 D C 0.652 176.890 176.300 -0.103 0.000 1.006 206 D CA 1.214 55.155 54.000 -0.097 0.000 0.893 206 D CB 0.597 41.352 40.800 -0.075 0.000 1.019 206 D HN 0.795 nan 8.370 nan 0.000 0.503 207 M N -0.332 119.170 119.600 -0.162 0.000 2.569 207 M HA 0.440 4.920 4.480 0.000 0.000 0.279 207 M C -1.857 174.270 176.300 -0.288 0.000 1.253 207 M CA -0.922 54.276 55.300 -0.169 0.000 0.867 207 M CB 2.835 35.370 32.600 -0.108 0.000 1.727 207 M HN -0.403 nan 8.290 nan 0.000 0.467 208 I N 2.561 123.018 120.570 -0.189 0.000 2.377 208 I HA 0.417 4.587 4.170 0.000 0.000 0.293 208 I C -1.105 175.007 176.117 -0.009 0.000 0.987 208 I CA -0.631 60.556 61.300 -0.187 0.000 1.185 208 I CB 1.065 39.005 38.000 -0.100 0.000 1.341 208 I HN 0.584 nan 8.210 nan 0.000 0.455 209 F N 4.635 124.547 119.950 -0.064 0.000 2.334 209 F HA 0.455 4.982 4.527 0.000 0.000 0.365 209 F C 0.879 176.644 175.800 -0.058 0.000 1.124 209 F CA -1.473 56.495 58.000 -0.053 0.000 1.166 209 F CB 0.305 39.280 39.000 -0.042 0.000 1.355 209 F HN 0.465 nan 8.300 nan 0.000 0.532 210 A N 2.655 125.556 122.820 0.135 0.000 2.395 210 A HA 0.494 4.814 4.320 0.000 0.000 0.286 210 A C 0.421 178.018 177.584 0.022 0.000 1.193 210 A CA -0.291 51.782 52.037 0.060 0.000 0.852 210 A CB -0.159 18.867 19.000 0.044 0.000 1.118 210 A HN 0.562 nan 8.150 nan 0.000 0.524 211 S N 1.754 117.467 115.700 0.021 0.000 2.545 211 S HA 0.493 4.963 4.470 0.000 0.000 0.275 211 S C -0.280 174.343 174.600 0.038 0.000 1.299 211 S CA -0.231 57.914 58.200 -0.090 0.000 1.048 211 S CB -0.227 62.938 63.200 -0.058 0.000 0.938 211 S HN 0.761 nan 8.310 nan 0.000 0.496 212 F N 0.179 120.129 119.950 -0.000 0.000 2.905 212 F HA -0.152 4.375 4.527 0.000 0.000 0.291 212 F C -0.081 175.706 175.800 -0.022 0.000 1.002 212 F CA -0.216 57.773 58.000 -0.018 0.000 0.978 212 F CB -1.619 37.365 39.000 -0.028 0.000 1.036 212 F HN 0.389 nan 8.300 nan 0.000 0.820 213 I N 1.574 122.190 120.570 0.076 0.000 2.371 213 I HA 0.216 4.386 4.170 0.000 0.000 0.290 213 I C 1.304 177.439 176.117 0.031 0.000 1.028 213 I CA 0.028 61.357 61.300 0.048 0.000 1.345 213 I CB 1.364 39.377 38.000 0.020 0.000 1.407 213 I HN 0.441 nan 8.210 nan 0.000 0.501 214 R N 2.704 123.217 120.500 0.022 0.000 2.276 214 R HA 0.232 4.572 4.340 0.000 0.000 0.195 214 R C 0.706 177.000 176.300 -0.010 0.000 0.908 214 R CA -0.129 55.967 56.100 -0.006 0.000 1.083 214 R CB 0.030 30.316 30.300 -0.024 0.000 1.182 214 R HN 0.411 nan 8.270 nan 0.000 0.608 215 S N 0.352 116.051 115.700 -0.002 0.000 2.585 215 S HA 0.461 4.931 4.470 0.000 0.000 0.277 215 S C 0.885 175.486 174.600 0.002 0.000 1.241 215 S CA -0.218 57.981 58.200 -0.002 0.000 1.041 215 S CB 1.722 64.923 63.200 0.001 0.000 0.987 215 S HN 0.386 nan 8.310 nan 0.000 0.512 216 A N 2.201 125.021 122.820 0.001 0.000 1.930 216 A HA -0.065 4.255 4.320 0.000 0.000 0.217 216 A C 1.975 179.562 177.584 0.005 0.000 1.175 216 A CA 1.087 53.125 52.037 0.003 0.000 0.627 216 A CB -0.469 18.532 19.000 0.001 0.000 0.815 216 A HN 0.846 nan 8.150 nan 0.000 0.443 217 E N -0.037 120.166 120.200 0.004 0.000 2.153 217 E HA -0.234 4.116 4.350 0.000 0.000 0.194 217 E C 2.063 178.668 176.600 0.008 0.000 0.988 217 E CA 1.445 57.849 56.400 0.005 0.000 0.811 217 E CB -0.132 29.571 29.700 0.004 0.000 0.746 217 E HN 0.788 nan 8.360 nan 0.000 0.466 218 Q N -0.349 119.457 119.800 0.009 0.000 2.123 218 Q HA -0.088 4.252 4.340 0.000 0.000 0.199 218 Q C 2.302 178.312 176.000 0.016 0.000 0.966 218 Q CA 1.259 57.070 55.803 0.014 0.000 0.845 218 Q CB 0.171 28.919 28.738 0.018 0.000 0.907 218 Q HN 0.148 nan 8.270 nan 0.000 0.439 219 V N 0.372 120.294 119.914 0.014 0.000 2.469 219 V HA -0.237 3.883 4.120 0.000 0.000 0.251 219 V C 2.145 178.246 176.094 0.012 0.000 1.064 219 V CA 1.847 64.155 62.300 0.014 0.000 1.066 219 V CB -1.284 30.546 31.823 0.012 0.000 0.667 219 V HN 0.511 nan 8.190 nan 0.000 0.461 220 G N -0.046 108.760 108.800 0.010 0.000 2.418 220 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 220 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 220 G C 1.229 176.135 174.900 0.010 0.000 1.158 220 G CA 0.946 46.052 45.100 0.009 0.000 0.771 220 G HN 0.524 nan 8.290 nan 0.000 0.545 221 D N 0.390 120.797 120.400 0.012 0.000 2.144 221 D HA -0.086 4.554 4.640 0.000 0.000 0.199 221 D C 2.767 179.076 176.300 0.014 0.000 0.984 221 D CA 0.756 54.764 54.000 0.014 0.000 0.834 221 D CB -0.255 40.555 40.800 0.017 0.000 0.955 221 D HN 0.241 nan 8.370 nan 0.000 0.465 222 V N 1.247 121.169 119.914 0.014 0.000 2.223 222 V HA -0.257 3.863 4.120 0.000 0.000 0.244 222 V C 2.639 178.736 176.094 0.004 0.000 1.045 222 V CA 1.811 64.116 62.300 0.010 0.000 1.000 222 V CB -0.595 31.234 31.823 0.010 0.000 0.635 222 V HN 0.085 nan 8.190 nan 0.000 0.445 223 R N 0.371 120.873 120.500 0.004 0.000 2.134 223 R HA -0.282 4.058 4.340 0.000 0.000 0.248 223 R C 2.435 178.736 176.300 0.002 0.000 1.143 223 R CA 2.466 58.566 56.100 0.001 0.000 0.957 223 R CB -0.383 29.919 30.300 0.004 0.000 0.867 223 R HN 0.496 nan 8.270 nan 0.000 0.441 224 K N -0.572 119.831 120.400 0.005 0.000 2.057 224 K HA -0.117 4.203 4.320 0.000 0.000 0.207 224 K C 1.892 178.496 176.600 0.008 0.000 1.049 224 K CA 1.422 57.714 56.287 0.007 0.000 0.931 224 K CB -0.146 32.360 32.500 0.009 0.000 0.714 224 K HN 0.321 nan 8.250 nan 0.000 0.440 225 A N 0.981 123.807 122.820 0.009 0.000 2.015 225 A HA -0.067 4.253 4.320 0.000 0.000 0.219 225 A C 2.017 179.604 177.584 0.005 0.000 1.163 225 A CA 0.928 52.972 52.037 0.012 0.000 0.646 225 A CB -0.389 18.622 19.000 0.017 0.000 0.806 225 A HN 0.292 nan 8.150 nan 0.000 0.448 226 L N -1.093 120.128 121.223 -0.004 0.000 2.141 226 L HA 0.116 4.456 4.340 0.000 0.000 0.209 226 L C 1.505 178.368 176.870 -0.012 0.000 1.094 226 L CA 0.677 55.507 54.840 -0.016 0.000 0.763 226 L CB -0.866 41.179 42.059 -0.024 0.000 0.908 226 L HN 0.646 nan 8.230 nan 0.000 0.437 227 G N -0.781 108.016 108.800 -0.005 0.000 2.829 227 G HA2 -0.201 3.759 3.960 0.000 0.000 0.628 227 G HA3 -0.201 3.759 3.960 0.000 0.000 0.628 227 G C -2.014 172.883 174.900 -0.005 0.000 1.412 227 G CA -0.300 44.799 45.100 -0.002 0.000 0.864 227 G HN 0.054 nan 8.290 nan 0.000 0.544 228 P HA -0.050 nan 4.420 nan 0.000 0.218 228 P C 1.407 178.704 177.300 -0.005 0.000 1.149 228 P CA 1.392 64.491 63.100 -0.002 0.000 0.817 228 P CB 0.015 31.715 31.700 0.002 0.000 0.785 229 K N -0.430 119.966 120.400 -0.008 0.000 2.585 229 K HA 0.011 4.331 4.320 0.000 0.000 0.194 229 K C 1.409 177.995 176.600 -0.022 0.000 1.037 229 K CA 1.039 57.318 56.287 -0.013 0.000 0.964 229 K CB -0.418 32.074 32.500 -0.014 0.000 0.787 229 K HN 0.214 nan 8.250 nan 0.000 0.488 230 G N 0.980 109.767 108.800 -0.022 0.000 4.552 230 G HA2 -0.018 3.942 3.960 0.000 0.000 0.281 230 G HA3 -0.018 3.942 3.960 0.000 0.000 0.281 230 G C 0.751 175.638 174.900 -0.023 0.000 1.037 230 G CA -0.471 44.611 45.100 -0.031 0.000 0.806 230 G HN 0.124 nan 8.290 nan 0.000 0.495 231 R N 0.051 120.543 120.500 -0.013 0.000 2.152 231 R HA -0.057 4.283 4.340 0.000 0.000 0.232 231 R C 0.442 176.738 176.300 -0.007 0.000 1.117 231 R CA 1.518 57.614 56.100 -0.007 0.000 0.981 231 R CB -0.058 30.242 30.300 -0.001 0.000 0.870 231 R HN 0.089 nan 8.270 nan 0.000 0.451 232 D N 0.745 121.139 120.400 -0.010 0.000 2.350 232 D HA 0.167 4.807 4.640 0.000 0.000 0.213 232 D C 0.517 176.807 176.300 -0.015 0.000 1.031 232 D CA 0.157 54.153 54.000 -0.008 0.000 0.861 232 D CB 0.205 41.002 40.800 -0.004 0.000 0.926 232 D HN 0.260 nan 8.370 nan 0.000 0.520 233 I N 1.504 122.058 120.570 -0.027 0.000 2.529 233 I HA 0.027 4.197 4.170 0.000 0.000 0.284 233 I C 0.922 177.023 176.117 -0.027 0.000 1.082 233 I CA -0.128 61.148 61.300 -0.039 0.000 1.406 233 I CB 0.707 38.670 38.000 -0.062 0.000 1.405 233 I HN -0.325 nan 8.210 nan 0.000 0.548 234 M N 6.436 126.022 119.600 -0.023 0.000 2.233 234 M HA 0.312 4.792 4.480 0.000 0.000 0.350 234 M C -0.517 175.785 176.300 0.004 0.000 1.176 234 M CA 0.071 55.370 55.300 -0.001 0.000 1.150 234 M CB 0.763 33.373 32.600 0.016 0.000 1.530 234 M HN 0.394 nan 8.290 nan 0.000 0.459 235 I N 4.066 124.649 120.570 0.021 0.000 2.359 235 I HA 0.254 4.424 4.170 0.000 0.000 0.284 235 I C -0.582 175.574 176.117 0.066 0.000 1.018 235 I CA -0.295 61.025 61.300 0.034 0.000 1.173 235 I CB 0.843 38.855 38.000 0.020 0.000 1.326 235 I HN 0.451 nan 8.210 nan 0.000 0.462 236 I N 5.875 126.522 120.570 0.129 0.000 2.307 236 I HA 0.181 4.351 4.170 0.000 0.000 0.287 236 I C 0.069 176.240 176.117 0.090 0.000 1.054 236 I CA -0.496 60.886 61.300 0.137 0.000 1.218 236 I CB 0.552 38.709 38.000 0.262 0.000 1.398 236 I HN 0.520 nan 8.210 nan 0.000 0.475 237 C N 6.264 125.582 119.300 0.030 0.000 2.648 237 C HA 0.135 4.595 4.460 0.000 0.000 0.415 237 C C 1.110 176.075 174.990 -0.042 0.000 1.366 237 C CA -0.689 58.331 59.018 0.003 0.000 1.756 237 C CB -0.815 26.925 27.740 -0.000 0.000 2.549 237 C HN 0.572 nan 8.230 nan 0.000 0.597 238 K N 3.684 124.045 120.400 -0.064 0.000 2.248 238 K HA 0.438 4.758 4.320 0.000 0.000 0.281 238 K C -0.356 176.171 176.600 -0.121 0.000 1.054 238 K CA -0.226 55.984 56.287 -0.129 0.000 0.903 238 K CB 0.593 32.981 32.500 -0.185 0.000 1.077 238 K HN 0.479 nan 8.250 nan 0.000 0.474 239 I N 3.701 124.209 120.570 -0.103 0.000 2.312 239 I HA 0.090 4.260 4.170 0.000 0.000 0.291 239 I C 0.804 176.872 176.117 -0.082 0.000 1.031 239 I CA 0.276 61.535 61.300 -0.069 0.000 1.293 239 I CB 0.856 38.832 38.000 -0.040 0.000 1.403 239 I HN 0.795 nan 8.210 nan 0.000 0.484 240 E N 3.854 124.019 120.200 -0.059 0.000 2.568 240 E HA 0.058 4.408 4.350 0.000 0.000 0.220 240 E C -0.309 176.335 176.600 0.074 0.000 0.869 240 E CA -0.028 56.344 56.400 -0.047 0.000 1.268 240 E CB 0.791 30.342 29.700 -0.248 0.000 1.252 240 E HN 0.754 nan 8.360 nan 0.000 0.606 241 N N -0.520 118.225 118.700 0.076 0.000 2.629 241 N HA 0.092 4.832 4.740 0.000 0.000 0.279 241 N C 0.455 175.988 175.510 0.038 0.000 1.344 241 N CA -0.622 52.470 53.050 0.070 0.000 0.789 241 N CB 0.263 38.773 38.487 0.038 0.000 1.508 241 N HN -0.065 nan 8.380 nan 0.000 0.516 242 H N -1.771 117.306 119.070 0.012 0.000 2.395 242 H HA 0.061 4.617 4.556 0.000 0.000 0.299 242 H C 0.962 176.293 175.328 0.005 0.000 1.070 242 H CA 1.294 57.344 56.048 0.003 0.000 1.356 242 H CB -0.168 29.590 29.762 -0.005 0.000 1.401 242 H HN 0.553 nan 8.280 nan 0.000 0.524 243 Q N 0.902 120.384 119.800 -0.530 0.000 2.173 243 Q HA -0.115 4.225 4.340 0.000 0.000 0.208 243 Q C 2.602 178.540 176.000 -0.104 0.000 0.989 243 Q CA 1.903 57.532 55.803 -0.289 0.000 0.872 243 Q CB -0.581 27.992 28.738 -0.276 0.000 0.909 243 Q HN 0.743 nan 8.270 nan 0.000 0.420 244 G N -0.611 108.147 108.800 -0.069 0.000 2.394 244 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 244 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 244 G C 1.469 176.365 174.900 -0.007 0.000 1.165 244 G CA 0.688 45.774 45.100 -0.024 0.000 0.784 244 G HN 0.261 nan 8.290 nan 0.000 0.535 245 V N 0.499 120.419 119.914 0.010 0.000 2.295 245 V HA -0.253 3.867 4.120 0.000 0.000 0.246 245 V C 2.836 178.943 176.094 0.023 0.000 1.049 245 V CA 2.204 64.517 62.300 0.023 0.000 1.024 245 V CB -0.653 31.197 31.823 0.045 0.000 0.648 245 V HN 0.385 nan 8.190 nan 0.000 0.447 246 Q N -0.228 119.591 119.800 0.032 0.000 2.135 246 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 246 Q C 1.393 177.399 176.000 0.011 0.000 0.981 246 Q CA 1.287 57.108 55.803 0.030 0.000 0.856 246 Q CB -0.085 28.678 28.738 0.042 0.000 0.902 246 Q HN 0.596 nan 8.270 nan 0.000 0.425 247 N N 0.157 118.857 118.700 0.001 0.000 2.380 247 N HA 0.031 4.771 4.740 0.000 0.000 0.255 247 N C 0.682 176.191 175.510 -0.002 0.000 1.158 247 N CA -0.010 53.038 53.050 -0.003 0.000 0.878 247 N CB 0.526 39.008 38.487 -0.009 0.000 1.138 247 N HN 0.182 nan 8.380 nan 0.000 0.509 248 I N 1.082 121.652 120.570 0.000 0.000 2.286 248 I HA -0.210 3.960 4.170 0.000 0.000 0.248 248 I C 1.524 177.640 176.117 -0.002 0.000 1.115 248 I CA 1.572 62.872 61.300 -0.001 0.000 1.392 248 I CB 0.088 38.088 38.000 0.000 0.000 1.065 248 I HN 0.020 nan 8.210 nan 0.000 0.418 249 D N -0.078 120.322 120.400 -0.001 0.000 2.078 249 D HA -0.158 4.482 4.640 0.000 0.000 0.193 249 D C 2.499 178.798 176.300 -0.002 0.000 0.990 249 D CA 1.978 55.977 54.000 -0.002 0.000 0.827 249 D CB -0.513 40.286 40.800 -0.003 0.000 0.975 249 D HN 0.467 nan 8.370 nan 0.000 0.451 250 S N 0.336 116.035 115.700 -0.002 0.000 2.383 250 S HA -0.134 4.336 4.470 0.000 0.000 0.229 250 S C 2.279 176.879 174.600 0.000 0.000 1.030 250 S CA 0.666 58.866 58.200 -0.001 0.000 1.002 250 S CB -0.666 62.533 63.200 -0.002 0.000 0.829 250 S HN 0.255 nan 8.310 nan 0.000 0.467 251 I N 1.103 121.672 120.570 -0.000 0.000 2.315 251 I HA -0.084 4.086 4.170 0.000 0.000 0.248 251 I C 2.349 178.467 176.117 0.002 0.000 1.117 251 I CA 1.186 62.486 61.300 0.001 0.000 1.404 251 I CB -0.261 37.738 38.000 -0.002 0.000 1.071 251 I HN 0.304 nan 8.210 nan 0.000 0.419 252 I N 0.511 121.082 120.570 0.001 0.000 2.286 252 I HA -0.249 3.921 4.170 0.000 0.000 0.245 252 I C 2.538 178.657 176.117 0.004 0.000 1.104 252 I CA 1.205 62.506 61.300 0.002 0.000 1.397 252 I CB -0.308 37.692 38.000 0.001 0.000 1.072 252 I HN 0.237 nan 8.210 nan 0.000 0.417 253 E N 1.250 121.451 120.200 0.003 0.000 2.267 253 E HA -0.240 4.110 4.350 0.000 0.000 0.197 253 E C 1.663 178.267 176.600 0.006 0.000 0.998 253 E CA 1.366 57.768 56.400 0.004 0.000 0.830 253 E CB 0.103 29.804 29.700 0.002 0.000 0.751 253 E HN 0.294 nan 8.360 nan 0.000 0.491 254 E N -0.000 120.203 120.200 0.006 0.000 2.693 254 E HA 0.132 4.482 4.350 0.000 0.000 0.214 254 E C -0.525 176.080 176.600 0.009 0.000 0.990 254 E CA 0.228 56.632 56.400 0.007 0.000 1.047 254 E CB 0.967 30.671 29.700 0.006 0.000 1.039 254 E HN 0.282 nan 8.360 nan 0.000 0.475 255 S N -1.054 114.652 115.700 0.010 0.000 2.841 255 S HA 0.406 4.876 4.470 0.000 0.000 0.318 255 S C 0.285 174.895 174.600 0.016 0.000 1.127 255 S CA -0.605 57.602 58.200 0.013 0.000 0.883 255 S CB 1.667 64.875 63.200 0.012 0.000 1.271 255 S HN -0.173 nan 8.310 nan 0.000 0.567 256 D N -0.120 120.293 120.400 0.021 0.000 2.407 256 D HA 0.406 5.046 4.640 0.000 0.000 0.208 256 D C 0.695 177.011 176.300 0.027 0.000 1.083 256 D CA 0.883 54.898 54.000 0.025 0.000 0.844 256 D CB 0.953 41.770 40.800 0.029 0.000 0.967 256 D HN 0.872 nan 8.370 nan 0.000 0.506 257 G N 0.254 109.068 108.800 0.023 0.000 2.325 257 G HA2 0.333 4.293 3.960 0.000 0.000 0.297 257 G HA3 0.333 4.293 3.960 0.000 0.000 0.297 257 G C -1.960 172.939 174.900 -0.003 0.000 1.448 257 G CA -0.733 44.376 45.100 0.014 0.000 0.838 257 G HN -0.090 nan 8.290 nan 0.000 0.579 258 I N 0.956 121.511 120.570 -0.025 0.000 2.509 258 I HA 0.529 4.699 4.170 0.000 0.000 0.293 258 I C 0.111 176.170 176.117 -0.096 0.000 1.020 258 I CA -0.830 60.441 61.300 -0.049 0.000 1.088 258 I CB 1.700 39.680 38.000 -0.034 0.000 1.267 258 I HN 0.718 nan 8.210 nan 0.000 0.430 259 M N 6.691 126.206 119.600 -0.141 0.000 2.180 259 M HA 0.436 4.916 4.480 0.000 0.000 0.350 259 M C -1.274 174.945 176.300 -0.135 0.000 1.125 259 M CA -0.562 54.622 55.300 -0.194 0.000 1.031 259 M CB 1.311 33.713 32.600 -0.331 0.000 1.623 259 M HN 0.282 nan 8.290 nan 0.000 0.451 260 V N 5.747 125.597 119.914 -0.106 0.000 2.267 260 V HA 0.288 4.408 4.120 0.000 0.000 0.254 260 V C 0.610 176.661 176.094 -0.072 0.000 1.144 260 V CA -0.496 61.761 62.300 -0.071 0.000 0.992 260 V CB -0.083 31.714 31.823 -0.044 0.000 1.199 260 V HN 0.910 nan 8.190 nan 0.000 0.493 261 A N 4.799 127.567 122.820 -0.086 0.000 2.906 261 A HA 0.303 4.623 4.320 0.000 0.000 0.289 261 A C 1.556 179.115 177.584 -0.043 0.000 1.675 261 A CA -0.299 51.688 52.037 -0.083 0.000 1.372 261 A CB -0.309 18.614 19.000 -0.128 0.000 1.091 261 A HN 0.827 nan 8.150 nan 0.000 0.579 262 R N 1.778 122.262 120.500 -0.027 0.000 2.094 262 R HA -0.178 4.162 4.340 0.000 0.000 0.239 262 R C 2.392 178.697 176.300 0.007 0.000 1.137 262 R CA 2.100 58.197 56.100 -0.006 0.000 0.943 262 R CB -0.770 29.528 30.300 -0.003 0.000 0.850 262 R HN 0.672 nan 8.270 nan 0.000 0.433 263 G N 1.131 109.937 108.800 0.009 0.000 2.513 263 G HA2 -0.323 3.637 3.960 0.000 0.000 0.219 263 G HA3 -0.323 3.637 3.960 0.000 0.000 0.219 263 G C 0.890 175.818 174.900 0.045 0.000 1.160 263 G CA 1.588 46.705 45.100 0.028 0.000 0.767 263 G HN 0.325 nan 8.290 nan 0.000 0.571 264 D N 0.391 120.813 120.400 0.036 0.000 2.120 264 D HA -0.013 4.627 4.640 0.000 0.000 0.202 264 D C 2.760 179.106 176.300 0.076 0.000 0.972 264 D CA 0.418 54.459 54.000 0.069 0.000 0.837 264 D CB -0.233 40.586 40.800 0.033 0.000 0.989 264 D HN 0.305 nan 8.370 nan 0.000 0.469 265 L N 1.257 122.507 121.223 0.046 0.000 1.997 265 L HA -0.155 4.185 4.340 0.000 0.000 0.216 265 L C 2.604 179.509 176.870 0.059 0.000 1.074 265 L CA 1.704 56.575 54.840 0.052 0.000 0.763 265 L CB -0.898 41.181 42.059 0.032 0.000 0.890 265 L HN 0.090 nan 8.230 nan 0.000 0.434 266 G N -1.010 107.820 108.800 0.051 0.000 2.653 266 G HA2 -0.102 3.858 3.960 0.000 0.000 0.212 266 G HA3 -0.102 3.858 3.960 0.000 0.000 0.212 266 G C 1.495 176.443 174.900 0.079 0.000 1.138 266 G CA 0.565 45.697 45.100 0.053 0.000 0.782 266 G HN 0.210 nan 8.290 nan 0.000 0.535 267 V N 1.071 121.045 119.914 0.099 0.000 2.307 267 V HA -0.107 4.013 4.120 0.000 0.000 0.245 267 V C 2.491 178.688 176.094 0.172 0.000 1.045 267 V CA 2.320 64.712 62.300 0.153 0.000 1.024 267 V CB -0.121 31.792 31.823 0.150 0.000 0.651 267 V HN 0.774 nan 8.190 nan 0.000 0.449 268 E N -1.136 119.102 120.200 0.063 0.000 2.641 268 E HA 0.225 4.575 4.350 0.000 0.000 0.224 268 E C 0.340 176.943 176.600 0.005 0.000 0.951 268 E CA -0.133 56.266 56.400 -0.001 0.000 1.102 268 E CB 0.318 29.890 29.700 -0.213 0.000 1.091 268 E HN 0.497 nan 8.360 nan 0.000 0.507 269 I N 3.079 123.666 120.570 0.028 0.000 2.353 269 I HA 0.292 4.462 4.170 0.000 0.000 0.293 269 I C -2.254 173.875 176.117 0.020 0.000 0.992 269 I CA -2.636 58.671 61.300 0.011 0.000 1.268 269 I CB 1.052 39.066 38.000 0.024 0.000 1.387 269 I HN -0.202 nan 8.210 nan 0.000 0.478 270 P HA -0.041 nan 4.420 nan 0.000 0.265 270 P C 0.326 177.631 177.300 0.009 0.000 1.187 270 P CA 0.115 63.218 63.100 0.006 0.000 0.766 270 P CB 0.788 32.485 31.700 -0.005 0.000 0.820 271 A N 4.254 127.080 122.820 0.009 0.000 1.933 271 A HA -0.208 4.112 4.320 0.000 0.000 0.218 271 A C 1.861 179.449 177.584 0.006 0.000 1.175 271 A CA 1.580 53.622 52.037 0.009 0.000 0.628 271 A CB -0.898 18.105 19.000 0.006 0.000 0.814 271 A HN 0.686 nan 8.150 nan 0.000 0.444 272 E N 0.449 120.650 120.200 0.002 0.000 2.204 272 E HA -0.178 4.172 4.350 0.000 0.000 0.194 272 E C 1.427 178.028 176.600 0.001 0.000 0.989 272 E CA 1.311 57.711 56.400 0.000 0.000 0.824 272 E CB -0.320 29.378 29.700 -0.003 0.000 0.756 272 E HN 0.637 nan 8.360 nan 0.000 0.477 273 K N 0.708 121.109 120.400 0.001 0.000 2.314 273 K HA 0.080 4.400 4.320 0.000 0.000 0.198 273 K C 2.183 178.787 176.600 0.006 0.000 1.045 273 K CA 0.556 56.843 56.287 0.001 0.000 0.988 273 K CB 0.347 32.845 32.500 -0.003 0.000 0.783 273 K HN -0.024 nan 8.250 nan 0.000 0.484 274 V N 1.169 121.088 119.914 0.009 0.000 2.427 274 V HA -0.209 3.911 4.120 0.000 0.000 0.248 274 V C 2.264 178.364 176.094 0.010 0.000 1.051 274 V CA 1.337 63.644 62.300 0.011 0.000 1.048 274 V CB -0.314 31.517 31.823 0.014 0.000 0.666 274 V HN 0.033 nan 8.190 nan 0.000 0.456 275 V N -0.059 119.861 119.914 0.009 0.000 2.287 275 V HA -0.255 3.865 4.120 0.000 0.000 0.248 275 V C 2.408 178.509 176.094 0.011 0.000 1.053 275 V CA 2.187 64.493 62.300 0.011 0.000 1.027 275 V CB -0.483 31.346 31.823 0.010 0.000 0.646 275 V HN 0.429 nan 8.190 nan 0.000 0.447 276 V N 0.053 119.971 119.914 0.007 0.000 2.323 276 V HA -0.196 3.924 4.120 0.000 0.000 0.244 276 V C 2.706 178.804 176.094 0.007 0.000 1.041 276 V CA 1.738 64.041 62.300 0.005 0.000 1.025 276 V CB -1.204 30.620 31.823 0.001 0.000 0.656 276 V HN 0.549 nan 8.190 nan 0.000 0.451 277 A N -0.544 122.281 122.820 0.008 0.000 1.903 277 A HA -0.381 3.939 4.320 0.000 0.000 0.219 277 A C 2.262 179.851 177.584 0.008 0.000 1.191 277 A CA 2.556 54.599 52.037 0.009 0.000 0.638 277 A CB -0.680 18.328 19.000 0.013 0.000 0.823 277 A HN 0.617 nan 8.150 nan 0.000 0.451 278 Q N -0.433 119.372 119.800 0.009 0.000 2.045 278 Q HA -0.264 4.076 4.340 0.000 0.000 0.206 278 Q C 2.139 178.149 176.000 0.017 0.000 0.991 278 Q CA 2.213 58.022 55.803 0.010 0.000 0.851 278 Q CB -0.183 28.563 28.738 0.013 0.000 0.911 278 Q HN 0.696 nan 8.270 nan 0.000 0.418 279 K N -0.026 120.386 120.400 0.019 0.000 2.020 279 K HA -0.189 4.131 4.320 0.000 0.000 0.212 279 K C 2.097 178.705 176.600 0.014 0.000 1.050 279 K CA 1.866 58.166 56.287 0.022 0.000 0.929 279 K CB -0.263 32.245 32.500 0.014 0.000 0.714 279 K HN 0.289 nan 8.250 nan 0.000 0.443 280 I N 1.059 121.634 120.570 0.007 0.000 2.226 280 I HA -0.303 3.867 4.170 0.000 0.000 0.245 280 I C 2.242 178.363 176.117 0.006 0.000 1.100 280 I CA 1.143 62.445 61.300 0.003 0.000 1.374 280 I CB -0.274 37.727 38.000 0.002 0.000 1.057 280 I HN 0.144 nan 8.210 nan 0.000 0.413 281 L N 0.196 121.423 121.223 0.007 0.000 2.023 281 L HA -0.176 4.164 4.340 0.000 0.000 0.205 281 L C 2.643 179.520 176.870 0.011 0.000 1.073 281 L CA 1.680 56.522 54.840 0.004 0.000 0.745 281 L CB -0.523 41.534 42.059 -0.003 0.000 0.900 281 L HN 0.209 nan 8.230 nan 0.000 0.435 282 I N -0.348 120.234 120.570 0.020 0.000 2.151 282 I HA -0.337 3.833 4.170 0.000 0.000 0.243 282 I C 2.647 178.797 176.117 0.055 0.000 1.080 282 I CA 1.431 62.754 61.300 0.039 0.000 1.339 282 I CB -0.198 37.836 38.000 0.057 0.000 1.039 282 I HN 0.158 nan 8.210 nan 0.000 0.409 283 S N -0.196 115.529 115.700 0.043 0.000 2.406 283 S HA -0.121 4.349 4.470 0.000 0.000 0.228 283 S C 1.923 176.534 174.600 0.018 0.000 1.020 283 S CA 0.933 59.153 58.200 0.033 0.000 0.965 283 S CB -0.064 63.132 63.200 -0.006 0.000 0.798 283 S HN 0.326 nan 8.310 nan 0.000 0.488 284 K N 0.357 120.763 120.400 0.011 0.000 2.057 284 K HA -0.067 4.253 4.320 0.000 0.000 0.207 284 K C 2.302 178.907 176.600 0.009 0.000 1.049 284 K CA 1.330 57.620 56.287 0.005 0.000 0.931 284 K CB -0.330 32.170 32.500 0.001 0.000 0.714 284 K HN 0.321 nan 8.250 nan 0.000 0.440 285 C N 1.011 120.320 119.300 0.015 0.000 2.413 285 C HA -0.106 4.354 4.460 0.000 0.000 0.276 285 C C 2.187 177.192 174.990 0.024 0.000 1.248 285 C CA 0.956 59.983 59.018 0.015 0.000 1.742 285 C CB -1.268 26.480 27.740 0.013 0.000 2.017 285 C HN 0.551 nan 8.230 nan 0.000 0.481 286 N N 0.225 118.958 118.700 0.056 0.000 2.069 286 N HA -0.149 4.591 4.740 0.000 0.000 0.191 286 N C 1.545 177.076 175.510 0.034 0.000 1.031 286 N CA 1.367 54.473 53.050 0.094 0.000 0.852 286 N CB -0.173 38.459 38.487 0.240 0.000 1.018 286 N HN 0.292 nan 8.380 nan 0.000 0.423 287 V N 1.020 120.942 119.914 0.014 0.000 2.427 287 V HA -0.165 3.955 4.120 0.000 0.000 0.248 287 V C 2.154 178.230 176.094 -0.029 0.000 1.051 287 V CA 1.831 64.120 62.300 -0.019 0.000 1.048 287 V CB -0.577 31.238 31.823 -0.014 0.000 0.666 287 V HN 0.379 nan 8.190 nan 0.000 0.456 288 A N -0.848 121.964 122.820 -0.014 0.000 2.072 288 A HA 0.335 4.655 4.320 0.000 0.000 0.216 288 A C 1.979 179.553 177.584 -0.017 0.000 1.156 288 A CA 1.137 53.169 52.037 -0.009 0.000 0.701 288 A CB -0.414 18.586 19.000 -0.000 0.000 0.816 288 A HN 1.272 nan 8.150 nan 0.000 0.458 289 G N -0.506 108.278 108.800 -0.027 0.000 2.160 289 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 289 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 289 G C -0.037 174.858 174.900 -0.009 0.000 1.022 289 G CA 0.531 45.611 45.100 -0.034 0.000 0.741 289 G HN 0.609 nan 8.290 nan 0.000 0.508 290 K N 0.920 121.319 120.400 -0.001 0.000 2.164 290 K HA 0.510 4.830 4.320 0.000 0.000 0.258 290 K C -2.394 174.209 176.600 0.005 0.000 0.951 290 K CA -2.137 54.154 56.287 0.006 0.000 0.844 290 K CB 2.231 34.737 32.500 0.009 0.000 1.099 290 K HN 0.017 nan 8.250 nan 0.000 0.435 291 P HA -0.059 nan 4.420 nan 0.000 0.265 291 P C -0.753 176.543 177.300 -0.007 0.000 1.193 291 P CA -0.088 63.015 63.100 0.005 0.000 0.765 291 P CB 0.762 32.474 31.700 0.019 0.000 0.823 292 V N 5.330 125.235 119.914 -0.016 0.000 2.588 292 V HA 0.485 4.605 4.120 0.000 0.000 0.304 292 V C -0.603 175.461 176.094 -0.049 0.000 1.042 292 V CA -1.020 61.261 62.300 -0.031 0.000 0.877 292 V CB 1.510 33.325 31.823 -0.013 0.000 0.996 292 V HN 0.300 nan 8.190 nan 0.000 0.425 293 I N 6.485 127.002 120.570 -0.089 0.000 2.362 293 I HA 0.380 4.550 4.170 0.000 0.000 0.289 293 I C 0.073 176.129 176.117 -0.102 0.000 0.994 293 I CA -0.355 60.876 61.300 -0.115 0.000 1.158 293 I CB 1.485 39.356 38.000 -0.216 0.000 1.315 293 I HN 0.579 nan 8.210 nan 0.000 0.451 294 C N 5.772 125.031 119.300 -0.068 0.000 2.629 294 C HA 0.491 4.951 4.460 0.000 0.000 0.410 294 C C 1.507 176.458 174.990 -0.064 0.000 1.339 294 C CA 0.016 59.002 59.018 -0.052 0.000 1.810 294 C CB -0.291 27.432 27.740 -0.029 0.000 2.549 294 C HN 0.984 nan 8.230 nan 0.000 0.589 295 A N 4.718 127.500 122.820 -0.063 0.000 1.972 295 A HA 0.375 4.695 4.320 0.000 0.000 0.219 295 A C 0.991 178.545 177.584 -0.050 0.000 1.467 295 A CA 1.248 53.238 52.037 -0.079 0.000 0.631 295 A CB -0.778 18.170 19.000 -0.088 0.000 1.143 295 A HN 0.852 nan 8.150 nan 0.000 0.502 296 T N -3.408 111.128 114.554 -0.031 0.000 2.910 296 T HA 0.529 4.879 4.350 0.000 0.000 0.287 296 T C -0.503 174.196 174.700 -0.001 0.000 1.050 296 T CA -0.220 61.873 62.100 -0.011 0.000 1.011 296 T CB 1.350 70.216 68.868 -0.003 0.000 1.195 296 T HN 0.457 nan 8.240 nan 0.000 0.540 297 Q N -0.075 119.731 119.800 0.009 0.000 2.453 297 Q HA -0.139 4.201 4.340 0.000 0.000 0.294 297 Q C -0.600 175.402 176.000 0.003 0.000 1.295 297 Q CA 0.438 56.248 55.803 0.011 0.000 0.853 297 Q CB -1.403 27.344 28.738 0.015 0.000 1.193 297 Q HN 0.590 nan 8.270 nan 0.000 0.461 298 M N 0.674 120.273 119.600 -0.002 0.000 2.108 298 M HA 0.213 4.693 4.480 0.000 0.000 0.354 298 M C 0.702 176.994 176.300 -0.013 0.000 1.229 298 M CA -0.106 55.190 55.300 -0.007 0.000 1.081 298 M CB 0.835 33.431 32.600 -0.007 0.000 1.606 298 M HN 0.389 nan 8.290 nan 0.000 0.467 299 L N 2.154 123.362 121.223 -0.025 0.000 3.737 299 L HA -0.289 4.051 4.340 0.000 0.000 0.418 299 L C 1.385 178.233 176.870 -0.037 0.000 1.216 299 L CA 0.200 55.011 54.840 -0.048 0.000 0.915 299 L CB -1.483 40.541 42.059 -0.058 0.000 1.834 299 L HN 0.773 nan 8.230 nan 0.000 0.943 300 E N 0.729 120.919 120.200 -0.017 0.000 2.147 300 E HA -0.289 4.061 4.350 0.000 0.000 0.199 300 E C 1.988 178.597 176.600 0.015 0.000 1.005 300 E CA 1.797 58.200 56.400 0.004 0.000 0.810 300 E CB 0.080 29.792 29.700 0.020 0.000 0.736 300 E HN 0.785 nan 8.360 nan 0.000 0.460 301 S N -0.428 115.272 115.700 0.000 0.000 2.515 301 S HA -0.040 4.430 4.470 0.000 0.000 0.231 301 S C 1.700 176.301 174.600 0.003 0.000 0.987 301 S CA 0.420 58.632 58.200 0.020 0.000 0.936 301 S CB -0.006 63.191 63.200 -0.005 0.000 0.766 301 S HN 0.213 nan 8.310 nan 0.000 0.528 302 M N 1.530 121.103 119.600 -0.044 0.000 2.563 302 M HA 0.071 4.551 4.480 0.000 0.000 0.231 302 M C 1.139 177.421 176.300 -0.031 0.000 1.136 302 M CA 0.416 55.682 55.300 -0.057 0.000 1.026 302 M CB -0.458 32.085 32.600 -0.095 0.000 1.597 302 M HN 0.387 nan 8.290 nan 0.000 0.495 303 T N -0.909 113.574 114.554 -0.118 0.000 2.951 303 T HA -0.096 4.254 4.350 0.000 0.000 0.268 303 T C 0.749 175.091 174.700 -0.597 0.000 1.073 303 T CA 1.241 63.094 62.100 -0.412 0.000 1.134 303 T CB -0.040 68.461 68.868 -0.612 0.000 0.884 303 T HN 0.475 nan 8.240 nan 0.000 0.479 304 Y N 0.207 120.583 120.300 0.127 0.000 2.610 304 Y HA 0.379 4.929 4.550 0.000 0.000 0.254 304 Y C 0.034 176.041 175.900 0.178 0.000 1.110 304 Y CA -1.065 57.120 58.100 0.142 0.000 1.238 304 Y CB 0.531 39.035 38.460 0.073 0.000 1.322 304 Y HN 0.101 nan 8.280 nan 0.000 0.547 305 N N 1.039 119.859 118.700 0.200 0.000 2.235 305 N HA 0.224 4.964 4.740 0.000 0.000 0.293 305 N C -2.380 172.906 175.510 -0.374 0.000 1.083 305 N CA -1.790 51.267 53.050 0.012 0.000 0.801 305 N CB 1.968 40.453 38.487 -0.003 0.000 1.559 305 N HN -0.290 nan 8.380 nan 0.000 0.472 306 P HA -0.092 nan 4.420 nan 0.000 0.226 306 P C -0.440 176.602 177.300 -0.430 0.000 1.153 306 P CA 1.075 63.614 63.100 -0.934 0.000 0.777 306 P CB 0.574 31.940 31.700 -0.557 0.000 0.794 307 R N 0.174 120.503 120.500 -0.285 0.000 2.574 307 R HA 0.413 4.753 4.340 0.000 0.000 0.288 307 R C -2.539 173.599 176.300 -0.270 0.000 1.004 307 R CA -2.127 53.825 56.100 -0.246 0.000 0.895 307 R CB 2.272 32.498 30.300 -0.123 0.000 1.191 307 R HN -0.017 nan 8.270 nan 0.000 0.444 308 P HA 0.049 nan 4.420 nan 0.000 0.274 308 P C -0.485 176.692 177.300 -0.204 0.000 1.256 308 P CA -0.322 62.591 63.100 -0.312 0.000 0.795 308 P CB 0.687 32.121 31.700 -0.444 0.000 1.038 309 T N -2.095 112.384 114.554 -0.125 0.000 2.913 309 T HA 0.248 4.598 4.350 0.000 0.000 0.287 309 T C 1.320 175.986 174.700 -0.058 0.000 1.008 309 T CA -0.547 61.510 62.100 -0.072 0.000 1.067 309 T CB 1.132 69.975 68.868 -0.042 0.000 0.996 309 T HN 0.265 nan 8.240 nan 0.000 0.513 310 R N 2.077 122.559 120.500 -0.029 0.000 2.168 310 R HA -0.213 4.127 4.340 0.000 0.000 0.242 310 R C 2.529 178.826 176.300 -0.005 0.000 1.123 310 R CA 2.650 58.745 56.100 -0.008 0.000 0.928 310 R CB -1.458 28.843 30.300 0.003 0.000 0.873 310 R HN 0.905 nan 8.270 nan 0.000 0.434 311 A N 0.152 122.969 122.820 -0.006 0.000 1.892 311 A HA -0.256 4.064 4.320 0.000 0.000 0.218 311 A C 2.163 179.745 177.584 -0.003 0.000 1.188 311 A CA 2.096 54.133 52.037 -0.000 0.000 0.631 311 A CB -0.822 18.177 19.000 -0.002 0.000 0.822 311 A HN 0.640 nan 8.150 nan 0.000 0.447 312 E N -0.708 119.480 120.200 -0.020 0.000 2.130 312 E HA -0.164 4.186 4.350 0.000 0.000 0.196 312 E C 1.960 178.547 176.600 -0.021 0.000 0.998 312 E CA 1.445 57.829 56.400 -0.028 0.000 0.806 312 E CB -0.274 29.392 29.700 -0.057 0.000 0.738 312 E HN 0.415 nan 8.360 nan 0.000 0.459 313 V N 0.674 120.576 119.914 -0.020 0.000 2.261 313 V HA -0.298 3.822 4.120 0.000 0.000 0.246 313 V C 2.451 178.566 176.094 0.036 0.000 1.047 313 V CA 1.991 64.299 62.300 0.012 0.000 1.015 313 V CB -0.759 31.085 31.823 0.035 0.000 0.642 313 V HN 0.431 nan 8.190 nan 0.000 0.446 314 S N 0.122 115.847 115.700 0.042 0.000 2.419 314 S HA -0.294 4.176 4.470 0.000 0.000 0.235 314 S C 1.760 176.399 174.600 0.065 0.000 1.019 314 S CA 2.081 60.321 58.200 0.066 0.000 0.982 314 S CB -0.599 62.635 63.200 0.056 0.000 0.789 314 S HN 0.681 nan 8.310 nan 0.000 0.490 315 D N 0.766 121.189 120.400 0.038 0.000 2.117 315 D HA -0.060 4.580 4.640 0.000 0.000 0.198 315 D C 1.819 178.134 176.300 0.026 0.000 0.982 315 D CA 1.280 55.298 54.000 0.031 0.000 0.828 315 D CB -0.243 40.565 40.800 0.014 0.000 0.967 315 D HN 0.327 nan 8.370 nan 0.000 0.464 316 V N 0.679 120.601 119.914 0.014 0.000 2.307 316 V HA -0.153 3.967 4.120 0.000 0.000 0.245 316 V C 2.577 178.654 176.094 -0.027 0.000 1.045 316 V CA 1.691 63.989 62.300 -0.004 0.000 1.024 316 V CB -0.941 30.882 31.823 -0.001 0.000 0.651 316 V HN 0.327 nan 8.190 nan 0.000 0.449 317 A N 0.504 123.314 122.820 -0.016 0.000 1.865 317 A HA -0.244 4.076 4.320 0.000 0.000 0.217 317 A C 2.074 179.640 177.584 -0.031 0.000 1.191 317 A CA 2.107 54.091 52.037 -0.087 0.000 0.623 317 A CB -0.757 18.269 19.000 0.043 0.000 0.826 317 A HN 0.595 nan 8.150 nan 0.000 0.444 318 N N 0.241 119.053 118.700 0.187 0.000 2.309 318 N HA -0.092 4.648 4.740 0.000 0.000 0.182 318 N C 1.892 177.502 175.510 0.168 0.000 1.018 318 N CA 1.196 54.424 53.050 0.296 0.000 0.876 318 N CB -0.381 38.232 38.487 0.210 0.000 0.972 318 N HN 0.501 nan 8.380 nan 0.000 0.434 319 A N 1.006 123.868 122.820 0.070 0.000 1.883 319 A HA -0.114 4.206 4.320 0.000 0.000 0.217 319 A C 2.549 180.145 177.584 0.019 0.000 1.186 319 A CA 1.346 53.405 52.037 0.037 0.000 0.624 319 A CB -0.828 18.176 19.000 0.005 0.000 0.822 319 A HN 0.099 nan 8.150 nan 0.000 0.444 320 V N -1.203 118.670 119.914 -0.068 0.000 2.295 320 V HA -0.225 3.895 4.120 0.000 0.000 0.246 320 V C 2.338 178.407 176.094 -0.041 0.000 1.049 320 V CA 2.055 64.272 62.300 -0.137 0.000 1.024 320 V CB -0.938 30.701 31.823 -0.306 0.000 0.648 320 V HN 0.547 nan 8.190 nan 0.000 0.447 321 F N 0.956 120.951 119.950 0.075 0.000 2.134 321 F HA -0.150 4.377 4.527 0.000 0.000 0.299 321 F C 2.212 178.108 175.800 0.160 0.000 1.097 321 F CA 1.563 59.633 58.000 0.118 0.000 1.264 321 F CB -1.245 37.805 39.000 0.083 0.000 1.001 321 F HN 0.248 nan 8.300 nan 0.000 0.479 322 N N -0.748 118.132 118.700 0.300 0.000 2.137 322 N HA -0.089 4.651 4.740 0.000 0.000 0.190 322 N C 1.160 176.841 175.510 0.284 0.000 1.017 322 N CA 1.066 54.244 53.050 0.214 0.000 0.859 322 N CB -0.297 38.270 38.487 0.133 0.000 1.002 322 N HN 0.377 nan 8.380 nan 0.000 0.428 323 G N -0.458 108.509 108.800 0.279 0.000 2.247 323 G HA2 -0.003 3.957 3.960 0.000 0.000 0.111 323 G HA3 -0.003 3.957 3.960 0.000 0.000 0.111 323 G C -0.278 174.683 174.900 0.102 0.000 1.045 323 G CA -0.187 45.100 45.100 0.312 0.000 0.715 323 G HN 0.474 nan 8.290 nan 0.000 0.485 324 A N -0.344 122.502 122.820 0.044 0.000 2.407 324 A HA 0.634 4.954 4.320 0.000 0.000 0.248 324 A C 0.999 178.562 177.584 -0.034 0.000 1.082 324 A CA 0.912 52.950 52.037 0.002 0.000 0.785 324 A CB 0.445 19.440 19.000 -0.008 0.000 1.020 324 A HN 0.273 nan 8.150 nan 0.000 0.489 325 D N -0.053 120.328 120.400 -0.031 0.000 2.149 325 D HA 0.084 4.724 4.640 0.000 0.000 0.206 325 D C -0.057 176.225 176.300 -0.029 0.000 0.967 325 D CA 1.242 55.221 54.000 -0.035 0.000 0.848 325 D CB 0.093 40.881 40.800 -0.021 0.000 0.998 325 D HN 0.520 nan 8.370 nan 0.000 0.474 326 C N 0.900 120.182 119.300 -0.029 0.000 2.498 326 C HA 0.670 5.130 4.460 0.000 0.000 0.316 326 C C 0.031 174.999 174.990 -0.035 0.000 1.209 326 C CA -1.283 57.720 59.018 -0.026 0.000 1.518 326 C CB 1.169 28.897 27.740 -0.020 0.000 2.147 326 C HN 0.137 nan 8.230 nan 0.000 0.483 327 V N 1.484 121.382 119.914 -0.026 0.000 2.834 327 V HA 0.761 4.881 4.120 0.000 0.000 0.313 327 V C -0.396 175.688 176.094 -0.016 0.000 1.060 327 V CA -0.570 61.715 62.300 -0.025 0.000 0.989 327 V CB 1.666 33.478 31.823 -0.020 0.000 1.041 327 V HN 0.984 nan 8.190 nan 0.000 0.459 328 M N 3.242 122.831 119.600 -0.019 0.000 2.433 328 M HA 0.647 5.127 4.480 0.000 0.000 0.290 328 M C -2.190 174.114 176.300 0.006 0.000 1.173 328 M CA -0.646 54.651 55.300 -0.005 0.000 0.905 328 M CB 2.337 34.917 32.600 -0.034 0.000 1.692 328 M HN 0.744 nan 8.290 nan 0.000 0.462 329 L N 2.112 123.350 121.223 0.025 0.000 2.329 329 L HA 0.595 4.935 4.340 0.000 0.000 0.279 329 L C 0.003 176.898 176.870 0.041 0.000 1.014 329 L CA -0.326 54.530 54.840 0.026 0.000 0.814 329 L CB 2.020 44.095 42.059 0.027 0.000 1.257 329 L HN 0.745 nan 8.230 nan 0.000 0.424 330 S N 0.898 116.619 115.700 0.035 0.000 3.976 330 S HA 0.239 4.709 4.470 0.000 0.000 0.189 330 S C 1.645 176.265 174.600 0.033 0.000 0.917 330 S CA 0.245 58.475 58.200 0.050 0.000 1.552 330 S CB -0.275 62.958 63.200 0.054 0.000 0.676 330 S HN 0.904 nan 8.310 nan 0.000 0.738 331 G N 1.309 110.124 108.800 0.025 0.000 2.656 331 G HA2 -0.344 3.616 3.960 0.000 0.000 0.223 331 G HA3 -0.344 3.616 3.960 0.000 0.000 0.223 331 G C 1.021 175.894 174.900 -0.046 0.000 1.130 331 G CA 1.952 47.050 45.100 -0.004 0.000 0.758 331 G HN 0.593 nan 8.290 nan 0.000 0.608 332 E N -0.357 119.816 120.200 -0.044 0.000 2.147 332 E HA -0.143 4.207 4.350 0.000 0.000 0.199 332 E C 2.794 179.373 176.600 -0.035 0.000 1.005 332 E CA 2.075 58.440 56.400 -0.059 0.000 0.810 332 E CB -0.288 29.396 29.700 -0.027 0.000 0.736 332 E HN 0.699 nan 8.360 nan 0.000 0.460 333 T N -3.777 110.775 114.554 -0.004 0.000 2.978 333 T HA 0.415 4.765 4.350 0.000 0.000 0.248 333 T C 1.942 176.654 174.700 0.020 0.000 1.018 333 T CA 0.232 62.341 62.100 0.015 0.000 1.026 333 T CB 0.028 68.918 68.868 0.037 0.000 1.032 333 T HN 0.124 nan 8.240 nan 0.000 0.485 334 A N 3.576 126.412 122.820 0.026 0.000 1.851 334 A HA -0.048 4.272 4.320 0.000 0.000 0.216 334 A C 2.254 179.847 177.584 0.015 0.000 1.195 334 A CA 1.944 54.005 52.037 0.040 0.000 0.622 334 A CB -0.450 18.578 19.000 0.046 0.000 0.831 334 A HN 0.743 nan 8.150 nan 0.000 0.444 335 K N -1.260 119.128 120.400 -0.020 0.000 2.440 335 K HA 0.295 4.615 4.320 0.000 0.000 0.207 335 K C 0.879 177.428 176.600 -0.085 0.000 1.112 335 K CA 0.294 56.562 56.287 -0.033 0.000 1.036 335 K CB -0.126 32.363 32.500 -0.018 0.000 0.935 335 K HN 0.293 nan 8.250 nan 0.000 0.564 336 G N 1.956 110.682 108.800 -0.123 0.000 2.647 336 G HA2 -0.110 3.850 3.960 0.000 0.000 0.234 336 G HA3 -0.110 3.850 3.960 0.000 0.000 0.234 336 G C 0.022 174.829 174.900 -0.155 0.000 1.252 336 G CA -0.274 44.711 45.100 -0.192 0.000 0.846 336 G HN 0.231 nan 8.290 nan 0.000 0.589 337 K N -0.197 120.088 120.400 -0.192 0.000 2.367 337 K HA 0.122 4.442 4.320 0.000 0.000 0.194 337 K C -0.595 175.691 176.600 -0.523 0.000 1.027 337 K CA 0.148 56.264 56.287 -0.285 0.000 1.075 337 K CB 0.173 32.530 32.500 -0.239 0.000 0.845 337 K HN 0.525 nan 8.250 nan 0.000 0.529 338 Y N 0.288 120.556 120.300 -0.054 0.000 2.592 338 Y HA 0.218 4.768 4.550 0.000 0.000 0.354 338 Y C -2.063 173.825 175.900 -0.020 0.000 1.063 338 Y CA -1.861 56.225 58.100 -0.023 0.000 1.205 338 Y CB 1.582 40.032 38.460 -0.016 0.000 1.106 338 Y HN 0.035 nan 8.280 nan 0.000 0.649 339 P HA -0.044 nan 4.420 nan 0.000 0.219 339 P C 0.667 178.010 177.300 0.072 0.000 1.154 339 P CA 1.264 64.396 63.100 0.053 0.000 0.826 339 P CB 0.791 32.505 31.700 0.023 0.000 0.795 340 N N 0.644 119.393 118.700 0.082 0.000 2.109 340 N HA -0.103 4.637 4.740 0.000 0.000 0.188 340 N C 1.783 177.353 175.510 0.100 0.000 1.034 340 N CA 1.190 54.288 53.050 0.080 0.000 0.846 340 N CB -0.803 37.727 38.487 0.072 0.000 1.010 340 N HN 0.124 nan 8.380 nan 0.000 0.425 341 E N 0.490 120.773 120.200 0.139 0.000 2.118 341 E HA -0.096 4.254 4.350 0.000 0.000 0.195 341 E C 2.013 178.696 176.600 0.139 0.000 0.992 341 E CA 0.598 57.084 56.400 0.143 0.000 0.804 341 E CB -0.187 29.603 29.700 0.151 0.000 0.741 341 E HN 0.078 nan 8.360 nan 0.000 0.458 342 V N -0.026 119.954 119.914 0.110 0.000 2.295 342 V HA -0.241 3.879 4.120 0.000 0.000 0.246 342 V C 2.205 178.354 176.094 0.092 0.000 1.049 342 V CA 1.531 63.877 62.300 0.077 0.000 1.024 342 V CB -0.503 31.347 31.823 0.046 0.000 0.648 342 V HN 0.152 nan 8.190 nan 0.000 0.447 343 V N -0.482 119.480 119.914 0.080 0.000 2.343 343 V HA -0.316 3.804 4.120 0.000 0.000 0.247 343 V C 2.436 178.575 176.094 0.075 0.000 1.051 343 V CA 1.984 64.326 62.300 0.069 0.000 1.036 343 V CB -0.806 31.052 31.823 0.058 0.000 0.654 343 V HN 0.560 nan 8.190 nan 0.000 0.451 344 Q N -1.210 118.640 119.800 0.083 0.000 2.020 344 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 344 Q C 2.287 178.329 176.000 0.071 0.000 0.982 344 Q CA 2.295 58.135 55.803 0.061 0.000 0.838 344 Q CB -0.296 28.472 28.738 0.051 0.000 0.899 344 Q HN 0.693 nan 8.270 nan 0.000 0.423 345 Y N 0.620 120.919 120.300 -0.002 0.000 2.181 345 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 345 Y C 2.324 178.216 175.900 -0.014 0.000 1.146 345 Y CA 1.651 59.745 58.100 -0.011 0.000 1.164 345 Y CB -0.182 38.267 38.460 -0.018 0.000 0.982 345 Y HN 0.117 nan 8.280 nan 0.000 0.515 346 M N -0.513 119.206 119.600 0.199 0.000 2.080 346 M HA -0.224 4.256 4.480 0.000 0.000 0.260 346 M C 2.302 178.636 176.300 0.056 0.000 1.068 346 M CA 2.222 57.585 55.300 0.104 0.000 1.109 346 M CB -0.309 32.327 32.600 0.060 0.000 1.342 346 M HN 0.239 nan 8.290 nan 0.000 0.405 347 A N 0.298 123.143 122.820 0.042 0.000 1.917 347 A HA -0.253 4.067 4.320 0.000 0.000 0.219 347 A C 2.200 179.775 177.584 -0.015 0.000 1.182 347 A CA 2.191 54.233 52.037 0.009 0.000 0.633 347 A CB -0.866 18.141 19.000 0.012 0.000 0.819 347 A HN 0.640 nan 8.150 nan 0.000 0.448 348 R N -0.476 120.010 120.500 -0.023 0.000 2.081 348 R HA -0.068 4.272 4.340 0.000 0.000 0.235 348 R C 1.987 178.264 176.300 -0.039 0.000 1.131 348 R CA 1.738 57.800 56.100 -0.063 0.000 0.960 348 R CB -0.378 29.828 30.300 -0.157 0.000 0.856 348 R HN 0.602 nan 8.270 nan 0.000 0.436 349 I N -0.304 120.273 120.570 0.012 0.000 2.252 349 I HA -0.337 3.833 4.170 0.000 0.000 0.245 349 I C 2.428 178.512 176.117 -0.056 0.000 1.102 349 I CA 0.822 62.130 61.300 0.014 0.000 1.385 349 I CB -0.306 37.738 38.000 0.075 0.000 1.064 349 I HN 0.318 nan 8.210 nan 0.000 0.414 350 C N 0.449 119.714 119.300 -0.059 0.000 2.429 350 C HA -0.160 4.300 4.460 0.000 0.000 0.277 350 C C 2.763 177.672 174.990 -0.135 0.000 1.262 350 C CA 0.569 59.523 59.018 -0.107 0.000 1.733 350 C CB -0.881 26.812 27.740 -0.078 0.000 2.010 350 C HN 0.486 nan 8.230 nan 0.000 0.483 351 L N 0.893 122.053 121.223 -0.104 0.000 2.012 351 L HA -0.181 4.159 4.340 0.000 0.000 0.210 351 L C 2.621 179.421 176.870 -0.116 0.000 1.073 351 L CA 2.372 57.141 54.840 -0.118 0.000 0.748 351 L CB -0.773 41.238 42.059 -0.080 0.000 0.891 351 L HN 0.403 nan 8.230 nan 0.000 0.431 352 E N 0.082 120.229 120.200 -0.088 0.000 2.007 352 E HA -0.192 4.158 4.350 0.000 0.000 0.194 352 E C 2.057 178.609 176.600 -0.080 0.000 0.999 352 E CA 1.792 58.157 56.400 -0.058 0.000 0.811 352 E CB -0.345 29.337 29.700 -0.029 0.000 0.762 352 E HN 0.436 nan 8.360 nan 0.000 0.450 353 A N 1.153 123.872 122.820 -0.168 0.000 1.881 353 A HA -0.384 3.936 4.320 0.000 0.000 0.219 353 A C 2.313 179.677 177.584 -0.367 0.000 1.215 353 A CA 2.510 54.294 52.037 -0.422 0.000 0.648 353 A CB -1.207 17.361 19.000 -0.720 0.000 0.832 353 A HN 0.530 nan 8.150 nan 0.000 0.455 354 Q N -0.014 119.610 119.800 -0.294 0.000 2.029 354 Q HA -0.232 4.108 4.340 0.000 0.000 0.209 354 Q C 2.260 178.227 176.000 -0.055 0.000 0.999 354 Q CA 2.835 58.525 55.803 -0.189 0.000 0.857 354 Q CB -0.387 28.209 28.738 -0.237 0.000 0.926 354 Q HN 0.798 nan 8.270 nan 0.000 0.415 355 S N -0.917 114.747 115.700 -0.059 0.000 2.584 355 S HA 0.026 4.496 4.470 0.000 0.000 0.240 355 S C 1.353 176.024 174.600 0.119 0.000 0.975 355 S CA 0.791 59.000 58.200 0.015 0.000 0.949 355 S CB 0.063 63.258 63.200 -0.008 0.000 0.761 355 S HN 0.452 nan 8.310 nan 0.000 0.536 356 A N 0.077 123.006 122.820 0.182 0.000 2.324 356 A HA 0.528 4.848 4.320 0.000 0.000 0.220 356 A C 0.639 178.489 177.584 0.442 0.000 1.209 356 A CA -0.446 51.760 52.037 0.280 0.000 0.918 356 A CB 0.033 19.205 19.000 0.286 0.000 0.959 356 A HN 0.502 nan 8.150 nan 0.000 0.507 357 L N 0.917 122.414 121.223 0.456 0.000 2.467 357 L HA 0.073 4.413 4.340 0.000 0.000 0.270 357 L C 0.142 177.235 176.870 0.372 0.000 1.205 357 L CA -0.358 54.772 54.840 0.483 0.000 0.828 357 L CB 0.450 42.726 42.059 0.361 0.000 1.101 357 L HN 0.260 nan 8.230 nan 0.000 0.479 358 N N 2.815 121.698 118.700 0.305 0.000 2.807 358 N HA -0.018 4.722 4.740 0.000 0.000 0.259 358 N C 0.893 176.544 175.510 0.235 0.000 1.149 358 N CA 0.012 53.099 53.050 0.062 0.000 1.042 358 N CB 0.371 38.871 38.487 0.023 0.000 1.367 358 N HN 0.487 nan 8.380 nan 0.000 0.516 359 E N 1.123 121.473 120.200 0.251 0.000 2.114 359 E HA -0.293 4.057 4.350 0.000 0.000 0.199 359 E C 0.957 177.815 176.600 0.429 0.000 1.008 359 E CA 1.369 57.967 56.400 0.330 0.000 0.810 359 E CB -0.247 29.645 29.700 0.321 0.000 0.739 359 E HN 0.739 nan 8.360 nan 0.000 0.456 360 Y N 1.490 121.936 120.300 0.243 0.000 2.060 360 Y HA -0.277 4.273 4.550 0.000 0.000 0.276 360 Y C 2.523 178.477 175.900 0.090 0.000 1.127 360 Y CA 1.713 59.828 58.100 0.024 0.000 1.104 360 Y CB -0.601 37.795 38.460 -0.107 0.000 0.983 360 Y HN -0.208 nan 8.280 nan 0.000 0.483 361 V N 0.533 120.650 119.914 0.338 0.000 2.280 361 V HA -0.431 3.689 4.120 0.000 0.000 0.258 361 V C 2.257 178.371 176.094 0.033 0.000 1.081 361 V CA 2.396 64.789 62.300 0.155 0.000 1.070 361 V CB -0.991 30.903 31.823 0.119 0.000 0.666 361 V HN 0.570 nan 8.190 nan 0.000 0.450 362 F N -0.866 119.109 119.950 0.042 0.000 2.063 362 F HA -0.306 4.221 4.527 0.000 0.000 0.298 362 F C 2.145 177.969 175.800 0.041 0.000 1.109 362 F CA 2.689 60.718 58.000 0.048 0.000 1.212 362 F CB -0.520 38.541 39.000 0.102 0.000 0.973 362 F HN 0.284 nan 8.300 nan 0.000 0.480 363 F N 1.319 121.336 119.950 0.111 0.000 2.046 363 F HA -0.281 4.246 4.527 0.000 0.000 0.297 363 F C 2.429 178.170 175.800 -0.098 0.000 1.123 363 F CA 2.241 60.245 58.000 0.007 0.000 1.199 363 F CB -1.437 37.483 39.000 -0.133 0.000 0.972 363 F HN 0.088 nan 8.300 nan 0.000 0.474 364 N N -0.094 118.142 118.700 -0.773 0.000 2.018 364 N HA -0.238 4.502 4.740 0.000 0.000 0.196 364 N C 2.014 177.310 175.510 -0.358 0.000 1.043 364 N CA 2.082 54.679 53.050 -0.756 0.000 0.856 364 N CB -0.475 37.673 38.487 -0.564 0.000 1.042 364 N HN 0.392 nan 8.380 nan 0.000 0.423 365 S N 0.907 116.477 115.700 -0.216 0.000 2.378 365 S HA -0.164 4.306 4.470 0.000 0.000 0.229 365 S C 2.111 176.639 174.600 -0.119 0.000 1.052 365 S CA 1.531 59.640 58.200 -0.153 0.000 1.084 365 S CB -0.360 62.733 63.200 -0.178 0.000 0.950 365 S HN 0.343 nan 8.310 nan 0.000 0.440 366 I N 1.144 121.665 120.570 -0.082 0.000 2.179 366 I HA -0.214 3.956 4.170 0.000 0.000 0.242 366 I C 2.587 178.714 176.117 0.017 0.000 1.088 366 I CA 1.277 62.557 61.300 -0.033 0.000 1.357 366 I CB -0.286 37.708 38.000 -0.010 0.000 1.051 366 I HN 0.245 nan 8.210 nan 0.000 0.409 367 K N 1.342 121.758 120.400 0.028 0.000 2.044 367 K HA -0.247 4.073 4.320 0.000 0.000 0.210 367 K C 2.003 178.602 176.600 -0.001 0.000 1.049 367 K CA 1.676 58.010 56.287 0.078 0.000 0.927 367 K CB -0.079 32.297 32.500 -0.207 0.000 0.713 367 K HN 0.201 nan 8.250 nan 0.000 0.443 368 K N 0.315 120.669 120.400 -0.076 0.000 2.515 368 K HA -0.042 4.278 4.320 0.000 0.000 0.196 368 K C 1.459 178.047 176.600 -0.020 0.000 1.038 368 K CA 0.492 56.745 56.287 -0.058 0.000 0.967 368 K CB 0.126 32.578 32.500 -0.079 0.000 0.780 368 K HN 0.193 nan 8.250 nan 0.000 0.483 369 L N 0.614 121.835 121.223 -0.003 0.000 2.693 369 L HA 0.065 4.405 4.340 0.000 0.000 0.235 369 L C -0.027 176.871 176.870 0.047 0.000 1.127 369 L CA -0.220 54.627 54.840 0.011 0.000 0.914 369 L CB 0.484 42.538 42.059 -0.008 0.000 1.193 369 L HN 0.025 nan 8.230 nan 0.000 0.502 370 Q N -0.076 119.767 119.800 0.072 0.000 2.288 370 Q HA 0.110 4.450 4.340 0.000 0.000 0.254 370 Q C -0.431 175.633 176.000 0.107 0.000 0.932 370 Q CA -0.308 55.559 55.803 0.106 0.000 0.902 370 Q CB 0.820 29.649 28.738 0.153 0.000 1.203 370 Q HN 0.069 nan 8.270 nan 0.000 0.415 371 H N 2.276 121.365 119.070 0.032 0.000 3.082 371 H HA 0.193 4.749 4.556 0.000 0.000 0.275 371 H C -0.596 174.745 175.328 0.022 0.000 1.032 371 H CA 0.128 56.189 56.048 0.021 0.000 1.477 371 H CB -0.267 29.505 29.762 0.017 0.000 1.520 371 H HN 0.444 nan 8.280 nan 0.000 0.521 372 I N 8.462 128.813 120.570 -0.366 0.000 2.365 372 I HA 0.232 4.402 4.170 0.000 0.000 0.291 372 I C -1.710 174.048 176.117 -0.598 0.000 1.004 372 I CA -2.070 59.022 61.300 -0.348 0.000 1.311 372 I CB 1.329 39.236 38.000 -0.156 0.000 1.401 372 I HN 0.613 nan 8.210 nan 0.000 0.491 373 P HA 0.191 nan 4.420 nan 0.000 0.281 373 P C -0.865 176.334 177.300 -0.168 0.000 1.252 373 P CA -0.401 62.574 63.100 -0.207 0.000 0.778 373 P CB 0.952 32.582 31.700 -0.116 0.000 0.895 374 M N 0.982 120.528 119.600 -0.090 0.000 2.528 374 M HA 0.449 4.929 4.480 0.000 0.000 0.318 374 M C 0.063 176.360 176.300 -0.006 0.000 1.195 374 M CA -0.676 54.608 55.300 -0.025 0.000 1.000 374 M CB 1.458 34.060 32.600 0.004 0.000 1.615 374 M HN 0.293 nan 8.290 nan 0.000 0.469 375 S N 1.798 117.509 115.700 0.019 0.000 2.549 375 S HA 0.317 4.787 4.470 0.000 0.000 0.286 375 S C 1.198 175.801 174.600 0.004 0.000 1.314 375 S CA -0.183 58.026 58.200 0.015 0.000 1.062 375 S CB 0.780 63.997 63.200 0.028 0.000 0.865 375 S HN 0.936 nan 8.310 nan 0.000 0.498 376 A N 3.372 126.189 122.820 -0.005 0.000 1.894 376 A HA -0.312 4.008 4.320 0.000 0.000 0.220 376 A C 2.020 179.594 177.584 -0.017 0.000 1.237 376 A CA 2.227 54.256 52.037 -0.013 0.000 0.660 376 A CB -1.471 17.521 19.000 -0.014 0.000 0.835 376 A HN 1.042 nan 8.150 nan 0.000 0.461 377 D N -0.728 119.664 120.400 -0.014 0.000 2.182 377 D HA -0.227 4.413 4.640 0.000 0.000 0.201 377 D C 1.714 178.016 176.300 0.003 0.000 0.986 377 D CA 1.593 55.583 54.000 -0.017 0.000 0.847 377 D CB -0.495 40.294 40.800 -0.018 0.000 0.942 377 D HN 0.666 nan 8.370 nan 0.000 0.467 378 E N 1.540 121.756 120.200 0.027 0.000 2.017 378 E HA -0.132 4.218 4.350 0.000 0.000 0.193 378 E C 2.252 178.833 176.600 -0.032 0.000 0.997 378 E CA 1.774 58.211 56.400 0.061 0.000 0.804 378 E CB -0.360 29.398 29.700 0.097 0.000 0.757 378 E HN 0.289 nan 8.360 nan 0.000 0.448 379 A N 0.210 123.004 122.820 -0.042 0.000 1.883 379 A HA -0.189 4.131 4.320 0.000 0.000 0.217 379 A C 2.513 180.041 177.584 -0.093 0.000 1.186 379 A CA 1.808 53.798 52.037 -0.078 0.000 0.624 379 A CB -1.053 17.919 19.000 -0.047 0.000 0.822 379 A HN 0.224 nan 8.150 nan 0.000 0.444 380 V N -0.678 119.199 119.914 -0.062 0.000 2.313 380 V HA -0.413 3.707 4.120 0.000 0.000 0.253 380 V C 2.630 178.679 176.094 -0.076 0.000 1.070 380 V CA 2.334 64.600 62.300 -0.057 0.000 1.057 380 V CB -1.198 30.598 31.823 -0.045 0.000 0.653 380 V HN 0.749 nan 8.190 nan 0.000 0.450 381 C N 0.008 119.252 119.300 -0.092 0.000 2.522 381 C HA -0.048 4.412 4.460 0.000 0.000 0.280 381 C C 3.211 178.064 174.990 -0.228 0.000 1.303 381 C CA 0.918 59.876 59.018 -0.099 0.000 1.709 381 C CB -0.916 26.825 27.740 0.002 0.000 2.071 381 C HN 0.754 nan 8.230 nan 0.000 0.492 382 S N 1.428 116.842 115.700 -0.477 0.000 2.382 382 S HA -0.155 4.315 4.470 0.000 0.000 0.228 382 S C 1.704 176.186 174.600 -0.196 0.000 1.027 382 S CA 1.981 59.797 58.200 -0.640 0.000 0.991 382 S CB -0.663 61.971 63.200 -0.944 0.000 0.823 382 S HN 0.587 nan 8.310 nan 0.000 0.469 383 S N 2.630 118.249 115.700 -0.135 0.000 2.356 383 S HA 0.083 4.553 4.470 0.000 0.000 0.223 383 S C 2.407 176.966 174.600 -0.068 0.000 1.032 383 S CA 1.035 59.202 58.200 -0.055 0.000 1.005 383 S CB -0.973 62.199 63.200 -0.047 0.000 0.867 383 S HN 0.797 nan 8.310 nan 0.000 0.449 384 A N 1.415 124.180 122.820 -0.092 0.000 1.883 384 A HA -0.094 4.226 4.320 0.000 0.000 0.217 384 A C 2.378 179.882 177.584 -0.134 0.000 1.186 384 A CA 1.813 53.795 52.037 -0.092 0.000 0.624 384 A CB -1.113 17.842 19.000 -0.076 0.000 0.822 384 A HN 0.335 nan 8.150 nan 0.000 0.444 385 V N 1.266 121.063 119.914 -0.195 0.000 2.287 385 V HA -0.311 3.809 4.120 0.000 0.000 0.248 385 V C 2.526 178.422 176.094 -0.331 0.000 1.053 385 V CA 2.211 64.320 62.300 -0.319 0.000 1.027 385 V CB -1.053 30.515 31.823 -0.425 0.000 0.646 385 V HN 0.780 nan 8.190 nan 0.000 0.447 386 N N 0.095 118.636 118.700 -0.266 0.000 2.094 386 N HA -0.205 4.535 4.740 0.000 0.000 0.191 386 N C 1.930 177.492 175.510 0.086 0.000 1.023 386 N CA 2.009 55.096 53.050 0.062 0.000 0.857 386 N CB -0.027 38.610 38.487 0.250 0.000 1.013 386 N HN 0.472 nan 8.380 nan 0.000 0.426 387 S N 0.155 115.851 115.700 -0.007 0.000 2.368 387 S HA -0.078 4.392 4.470 0.000 0.000 0.225 387 S C 2.142 176.708 174.600 -0.057 0.000 1.030 387 S CA 0.929 59.111 58.200 -0.031 0.000 0.999 387 S CB -0.254 62.907 63.200 -0.065 0.000 0.844 387 S HN 0.199 nan 8.310 nan 0.000 0.459 388 V N 0.662 120.508 119.914 -0.113 0.000 2.252 388 V HA -0.253 3.867 4.120 0.000 0.000 0.249 388 V C 1.957 177.959 176.094 -0.154 0.000 1.056 388 V CA 1.910 64.100 62.300 -0.184 0.000 1.022 388 V CB -0.941 30.684 31.823 -0.330 0.000 0.641 388 V HN 0.472 nan 8.190 nan 0.000 0.445 389 Y N 0.575 120.857 120.300 -0.031 0.000 2.207 389 Y HA -0.200 4.350 4.550 0.000 0.000 0.287 389 Y C 2.610 178.554 175.900 0.073 0.000 1.156 389 Y CA 1.780 59.922 58.100 0.070 0.000 1.182 389 Y CB -0.393 38.184 38.460 0.194 0.000 0.979 389 Y HN 0.346 nan 8.280 nan 0.000 0.521 390 E N -1.011 119.303 120.200 0.190 0.000 2.150 390 E HA -0.144 4.206 4.350 0.000 0.000 0.193 390 E C 1.737 178.366 176.600 0.048 0.000 0.985 390 E CA 1.688 58.156 56.400 0.113 0.000 0.814 390 E CB -0.151 29.592 29.700 0.072 0.000 0.752 390 E HN 0.552 nan 8.360 nan 0.000 0.466 391 T N -2.722 111.835 114.554 0.005 0.000 3.054 391 T HA 0.205 4.555 4.350 0.000 0.000 0.255 391 T C 0.639 175.391 174.700 0.088 0.000 1.035 391 T CA -0.336 61.746 62.100 -0.029 0.000 0.941 391 T CB 0.233 68.957 68.868 -0.240 0.000 1.026 391 T HN -0.016 nan 8.240 nan 0.000 0.533 392 K N 0.853 121.290 120.400 0.061 0.000 3.130 392 K HA -0.149 4.171 4.320 0.000 0.000 0.282 392 K C 0.463 177.091 176.600 0.047 0.000 1.145 392 K CA 0.183 56.503 56.287 0.054 0.000 0.831 392 K CB -2.200 30.346 32.500 0.077 0.000 1.226 392 K HN 0.748 nan 8.250 nan 0.000 0.478 393 A N 1.367 124.209 122.820 0.038 0.000 2.587 393 A HA -0.077 4.243 4.320 0.000 0.000 0.235 393 A C 0.989 178.556 177.584 -0.028 0.000 1.044 393 A CA 0.733 52.801 52.037 0.052 0.000 0.754 393 A CB 0.183 19.183 19.000 0.000 0.000 0.968 393 A HN 0.335 nan 8.150 nan 0.000 0.509 394 K N 0.600 120.996 120.400 -0.005 0.000 2.374 394 K HA 0.401 4.721 4.320 0.000 0.000 0.196 394 K C 0.100 176.645 176.600 -0.092 0.000 1.023 394 K CA 0.858 57.116 56.287 -0.047 0.000 1.103 394 K CB 0.259 32.757 32.500 -0.004 0.000 0.848 394 K HN 0.864 nan 8.250 nan 0.000 0.528 395 A N 0.834 123.607 122.820 -0.079 0.000 2.599 395 A HA 0.572 4.892 4.320 0.000 0.000 0.294 395 A C -1.507 176.037 177.584 -0.066 0.000 1.055 395 A CA -0.786 51.194 52.037 -0.095 0.000 0.683 395 A CB 1.111 20.128 19.000 0.027 0.000 1.278 395 A HN 0.035 nan 8.150 nan 0.000 0.412 396 M N 1.575 121.127 119.600 -0.079 0.000 2.393 396 M HA 0.499 4.979 4.480 0.000 0.000 0.316 396 M C -1.189 175.106 176.300 -0.009 0.000 1.087 396 M CA -0.831 54.439 55.300 -0.050 0.000 0.937 396 M CB 2.092 34.645 32.600 -0.080 0.000 1.668 396 M HN 0.383 nan 8.290 nan 0.000 0.438 397 V N 4.319 124.235 119.914 0.004 0.000 2.334 397 V HA 0.364 4.484 4.120 0.000 0.000 0.281 397 V C -0.445 175.653 176.094 0.006 0.000 1.016 397 V CA -0.666 61.643 62.300 0.015 0.000 0.832 397 V CB 1.686 33.522 31.823 0.022 0.000 0.999 397 V HN 0.623 nan 8.190 nan 0.000 0.439 398 V N 6.572 126.489 119.914 0.006 0.000 2.394 398 V HA 0.444 4.564 4.120 0.000 0.000 0.282 398 V C 0.011 176.116 176.094 0.017 0.000 1.031 398 V CA -0.639 61.670 62.300 0.016 0.000 0.881 398 V CB 1.548 33.380 31.823 0.014 0.000 0.982 398 V HN 0.605 nan 8.190 nan 0.000 0.451 399 L N 4.196 125.443 121.223 0.039 0.000 2.268 399 L HA 0.586 4.926 4.340 0.000 0.000 0.289 399 L C 0.264 177.187 176.870 0.089 0.000 1.064 399 L CA 0.353 55.214 54.840 0.035 0.000 0.824 399 L CB 1.012 43.074 42.059 0.004 0.000 1.202 399 L HN 0.714 nan 8.230 nan 0.000 0.433 400 S N 2.464 118.199 115.700 0.058 0.000 2.541 400 S HA 0.419 4.889 4.470 0.000 0.000 0.280 400 S C 0.124 174.761 174.600 0.062 0.000 1.112 400 S CA -0.636 57.603 58.200 0.065 0.000 0.925 400 S CB 1.851 65.078 63.200 0.044 0.000 1.067 400 S HN 0.726 nan 8.310 nan 0.000 0.479 401 N N 0.822 119.564 118.700 0.069 0.000 2.460 401 N HA 0.017 4.757 4.740 0.000 0.000 0.193 401 N C 1.045 176.593 175.510 0.062 0.000 1.080 401 N CA 0.787 53.880 53.050 0.070 0.000 0.869 401 N CB 0.429 38.964 38.487 0.081 0.000 1.201 401 N HN 0.721 nan 8.380 nan 0.000 0.457 402 T N -2.666 111.920 114.554 0.053 0.000 3.021 402 T HA 0.324 4.674 4.350 0.000 0.000 0.245 402 T C 1.490 176.213 174.700 0.038 0.000 1.028 402 T CA 0.969 63.095 62.100 0.043 0.000 1.139 402 T CB 0.720 69.610 68.868 0.037 0.000 0.884 402 T HN 0.263 nan 8.240 nan 0.000 0.457 403 G N 0.825 109.647 108.800 0.037 0.000 2.901 403 G HA2 -0.179 3.781 3.960 0.000 0.000 0.194 403 G HA3 -0.179 3.781 3.960 0.000 0.000 0.194 403 G C 0.931 175.849 174.900 0.030 0.000 1.020 403 G CA 0.398 45.518 45.100 0.033 0.000 0.787 403 G HN 0.344 nan 8.290 nan 0.000 0.477 404 R N 1.620 122.137 120.500 0.029 0.000 2.234 404 R HA -0.215 4.125 4.340 0.000 0.000 0.241 404 R C 2.769 179.086 176.300 0.028 0.000 1.115 404 R CA 3.188 59.304 56.100 0.027 0.000 0.913 404 R CB -0.969 29.344 30.300 0.023 0.000 0.911 404 R HN 0.439 nan 8.270 nan 0.000 0.430 405 S N -0.578 115.134 115.700 0.021 0.000 2.365 405 S HA -0.246 4.224 4.470 0.000 0.000 0.221 405 S C 1.968 176.586 174.600 0.030 0.000 1.037 405 S CA 1.532 59.742 58.200 0.018 0.000 1.060 405 S CB -0.785 62.416 63.200 0.003 0.000 0.974 405 S HN 0.627 nan 8.310 nan 0.000 0.427 406 A N 1.217 124.053 122.820 0.028 0.000 1.948 406 A HA -0.188 4.132 4.320 0.000 0.000 0.220 406 A C 2.125 179.727 177.584 0.030 0.000 1.177 406 A CA 1.810 53.862 52.037 0.026 0.000 0.636 406 A CB -0.534 18.479 19.000 0.022 0.000 0.815 406 A HN 0.424 nan 8.150 nan 0.000 0.449 407 R N -1.402 119.118 120.500 0.032 0.000 2.073 407 R HA -0.022 4.318 4.340 0.000 0.000 0.229 407 R C 1.974 178.298 176.300 0.040 0.000 1.120 407 R CA 1.316 57.434 56.100 0.030 0.000 0.967 407 R CB -0.261 30.056 30.300 0.028 0.000 0.862 407 R HN 0.480 nan 8.270 nan 0.000 0.436 408 L N 0.409 121.667 121.223 0.059 0.000 2.313 408 L HA -0.016 4.324 4.340 0.000 0.000 0.214 408 L C 1.597 178.572 176.870 0.176 0.000 1.119 408 L CA 1.193 56.094 54.840 0.102 0.000 0.809 408 L CB 0.159 42.279 42.059 0.102 0.000 0.933 408 L HN -0.079 nan 8.230 nan 0.000 0.449 409 V N -0.046 119.941 119.914 0.121 0.000 2.273 409 V HA -0.137 3.983 4.120 0.000 0.000 0.242 409 V C 2.769 178.938 176.094 0.124 0.000 1.035 409 V CA 1.368 63.748 62.300 0.134 0.000 1.013 409 V CB -1.275 30.580 31.823 0.052 0.000 0.652 409 V HN 0.508 nan 8.190 nan 0.000 0.452 410 A N 0.037 122.892 122.820 0.058 0.000 1.971 410 A HA -0.394 3.926 4.320 0.000 0.000 0.222 410 A C 2.265 179.856 177.584 0.012 0.000 1.182 410 A CA 2.694 54.746 52.037 0.026 0.000 0.649 410 A CB -0.726 18.280 19.000 0.010 0.000 0.818 410 A HN 0.577 nan 8.150 nan 0.000 0.458 411 K N -1.525 118.877 120.400 0.003 0.000 2.059 411 K HA -0.226 4.094 4.320 0.000 0.000 0.212 411 K C 1.257 177.762 176.600 -0.158 0.000 1.050 411 K CA 2.181 58.400 56.287 -0.115 0.000 0.927 411 K CB -0.356 32.017 32.500 -0.212 0.000 0.714 411 K HN 0.596 nan 8.250 nan 0.000 0.447 412 Y N 0.908 121.271 120.300 0.105 0.000 2.462 412 Y HA 0.175 4.725 4.550 0.000 0.000 0.293 412 Y C -0.190 175.797 175.900 0.145 0.000 1.195 412 Y CA -0.115 58.100 58.100 0.192 0.000 1.276 412 Y CB 0.293 38.865 38.460 0.188 0.000 1.082 412 Y HN -0.014 nan 8.280 nan 0.000 0.514 413 R N 0.086 120.674 120.500 0.146 0.000 2.974 413 R HA -0.158 4.182 4.340 0.000 0.000 0.258 413 R C -2.961 173.430 176.300 0.152 0.000 0.892 413 R CA 0.191 56.351 56.100 0.099 0.000 0.664 413 R CB -1.762 28.603 30.300 0.109 0.000 1.478 413 R HN 0.280 nan 8.270 nan 0.000 0.498 414 P HA 0.021 nan 4.420 nan 0.000 0.274 414 P C 0.253 177.485 177.300 -0.114 0.000 1.246 414 P CA -0.292 62.711 63.100 -0.162 0.000 0.795 414 P CB 0.441 31.989 31.700 -0.253 0.000 1.006 415 N N -0.098 118.398 118.700 -0.339 0.000 2.375 415 N HA 0.060 4.800 4.740 0.000 0.000 0.220 415 N C 0.007 175.462 175.510 -0.092 0.000 1.170 415 N CA -0.440 52.564 53.050 -0.076 0.000 0.833 415 N CB -1.343 37.142 38.487 -0.004 0.000 1.069 415 N HN 0.447 nan 8.380 nan 0.000 0.479 416 C N -3.076 116.095 119.300 -0.216 0.000 3.236 416 C HA 0.773 5.233 4.460 0.000 0.000 0.312 416 C C -3.016 171.523 174.990 -0.752 0.000 1.374 416 C CA -2.135 56.622 59.018 -0.435 0.000 1.455 416 C CB 1.547 29.079 27.740 -0.346 0.000 1.834 416 C HN 0.035 nan 8.230 nan 0.000 0.460 417 P HA 0.435 nan 4.420 nan 0.000 0.271 417 P C -0.825 176.198 177.300 -0.462 0.000 1.216 417 P CA 0.216 62.655 63.100 -1.103 0.000 0.776 417 P CB 0.259 31.030 31.700 -1.549 0.000 0.881 418 I N 2.040 122.470 120.570 -0.233 0.000 2.377 418 I HA 0.315 4.485 4.170 0.000 0.000 0.293 418 I C -0.325 175.785 176.117 -0.011 0.000 0.987 418 I CA -1.028 60.214 61.300 -0.096 0.000 1.185 418 I CB 1.713 39.679 38.000 -0.056 0.000 1.341 418 I HN -0.046 nan 8.210 nan 0.000 0.455 419 V N 5.562 125.493 119.914 0.027 0.000 2.304 419 V HA 0.178 4.298 4.120 0.000 0.000 0.278 419 V C -0.122 175.970 176.094 -0.003 0.000 1.018 419 V CA -0.596 61.739 62.300 0.058 0.000 0.814 419 V CB 1.334 33.263 31.823 0.177 0.000 1.021 419 V HN 0.903 nan 8.190 nan 0.000 0.440 420 C N 6.550 125.832 119.300 -0.030 0.000 2.415 420 C HA 0.709 5.169 4.460 0.000 0.000 0.369 420 C C 0.159 175.124 174.990 -0.043 0.000 1.279 420 C CA -0.064 58.940 59.018 -0.023 0.000 1.886 420 C CB 0.200 27.937 27.740 -0.004 0.000 2.468 420 C HN 0.691 nan 8.230 nan 0.000 0.553 421 V N 7.115 127.012 119.914 -0.028 0.000 2.378 421 V HA 0.556 4.676 4.120 0.000 0.000 0.288 421 V C 0.194 176.284 176.094 -0.006 0.000 1.016 421 V CA -0.010 62.271 62.300 -0.032 0.000 0.840 421 V CB 1.848 33.632 31.823 -0.065 0.000 0.994 421 V HN 1.040 nan 8.190 nan 0.000 0.431 422 T N 1.692 116.269 114.554 0.037 0.000 2.900 422 T HA 0.310 4.660 4.350 0.000 0.000 0.295 422 T C 0.802 175.554 174.700 0.086 0.000 1.044 422 T CA -0.233 61.909 62.100 0.071 0.000 0.995 422 T CB 1.787 70.720 68.868 0.108 0.000 1.072 422 T HN 0.739 nan 8.240 nan 0.000 0.473 423 T N -0.549 114.052 114.554 0.079 0.000 3.107 423 T HA 0.179 4.529 4.350 0.000 0.000 0.249 423 T C 0.543 175.369 174.700 0.210 0.000 1.096 423 T CA -0.189 61.953 62.100 0.070 0.000 1.012 423 T CB 0.044 68.946 68.868 0.056 0.000 0.977 423 T HN 0.249 nan 8.240 nan 0.000 0.527 424 R N 1.031 121.669 120.500 0.230 0.000 2.409 424 R HA 0.401 4.741 4.340 0.000 0.000 0.313 424 R C 0.170 176.589 176.300 0.198 0.000 0.953 424 R CA -0.784 55.435 56.100 0.198 0.000 0.849 424 R CB 1.667 32.032 30.300 0.109 0.000 1.171 424 R HN 0.053 nan 8.270 nan 0.000 0.458 425 L N 2.530 123.824 121.223 0.117 0.000 2.046 425 L HA -0.134 4.206 4.340 0.000 0.000 0.208 425 L C 2.132 178.970 176.870 -0.053 0.000 1.077 425 L CA 1.952 56.732 54.840 -0.101 0.000 0.747 425 L CB -0.472 41.385 42.059 -0.337 0.000 0.896 425 L HN 0.629 nan 8.230 nan 0.000 0.432 426 Q N -1.516 118.267 119.800 -0.028 0.000 2.500 426 Q HA -0.138 4.202 4.340 0.000 0.000 0.213 426 Q C 1.542 177.542 176.000 -0.001 0.000 0.974 426 Q CA 1.337 57.125 55.803 -0.025 0.000 0.918 426 Q CB 0.195 28.917 28.738 -0.026 0.000 0.980 426 Q HN 0.527 nan 8.270 nan 0.000 0.505 427 T N -0.679 113.890 114.554 0.025 0.000 2.809 427 T HA -0.120 4.230 4.350 0.000 0.000 0.260 427 T C 1.905 176.621 174.700 0.027 0.000 1.039 427 T CA 0.979 63.099 62.100 0.033 0.000 1.141 427 T CB -0.368 68.533 68.868 0.054 0.000 0.869 427 T HN 0.397 nan 8.240 nan 0.000 0.437 428 C N 1.699 121.017 119.300 0.030 0.000 2.367 428 C HA -0.123 4.337 4.460 0.000 0.000 0.276 428 C C 2.895 177.887 174.990 0.004 0.000 1.195 428 C CA 0.751 59.779 59.018 0.018 0.000 1.756 428 C CB -1.024 26.721 27.740 0.009 0.000 2.046 428 C HN 0.547 nan 8.230 nan 0.000 0.453 429 R N 0.278 120.771 120.500 -0.013 0.000 2.097 429 R HA -0.206 4.134 4.340 0.000 0.000 0.236 429 R C 2.322 178.623 176.300 0.002 0.000 1.135 429 R CA 1.775 57.868 56.100 -0.013 0.000 0.934 429 R CB -0.571 29.710 30.300 -0.032 0.000 0.846 429 R HN 0.688 nan 8.270 nan 0.000 0.431 430 Q N 0.348 120.149 119.800 0.002 0.000 2.297 430 Q HA -0.103 4.237 4.340 0.000 0.000 0.208 430 Q C 1.594 177.609 176.000 0.025 0.000 0.981 430 Q CA 0.862 56.672 55.803 0.012 0.000 0.876 430 Q CB 0.007 28.751 28.738 0.009 0.000 0.921 430 Q HN 0.400 nan 8.270 nan 0.000 0.446 431 L N 0.898 122.135 121.223 0.024 0.000 2.645 431 L HA 0.037 4.377 4.340 0.000 0.000 0.234 431 L C 0.516 177.405 176.870 0.033 0.000 1.165 431 L CA -0.251 54.606 54.840 0.028 0.000 0.944 431 L CB -0.015 42.059 42.059 0.025 0.000 1.149 431 L HN 0.089 nan 8.230 nan 0.000 0.446 432 N N 0.310 119.032 118.700 0.036 0.000 2.336 432 N HA 0.067 4.807 4.740 0.000 0.000 0.189 432 N C 1.393 176.935 175.510 0.053 0.000 1.113 432 N CA 0.473 53.550 53.050 0.044 0.000 0.858 432 N CB 0.291 38.804 38.487 0.043 0.000 0.970 432 N HN 0.492 nan 8.380 nan 0.000 0.471 433 I N -3.726 116.876 120.570 0.054 0.000 4.082 433 I HA 0.277 4.447 4.170 0.000 0.000 0.337 433 I C -0.430 175.706 176.117 0.032 0.000 1.352 433 I CA -0.120 61.213 61.300 0.055 0.000 1.097 433 I CB 0.122 38.174 38.000 0.087 0.000 1.048 433 I HN -0.248 nan 8.210 nan 0.000 0.393 434 T N 2.339 116.910 114.554 0.028 0.000 2.795 434 T HA 0.275 4.625 4.350 0.000 0.000 0.282 434 T C -0.109 174.598 174.700 0.012 0.000 0.980 434 T CA -0.541 61.568 62.100 0.015 0.000 1.012 434 T CB 1.739 70.617 68.868 0.017 0.000 0.936 434 T HN 0.261 nan 8.240 nan 0.000 0.457 435 Q N 1.735 121.531 119.800 -0.006 0.000 2.352 435 Q HA 0.333 4.673 4.340 0.000 0.000 0.260 435 Q C 1.124 177.135 176.000 0.017 0.000 0.976 435 Q CA 0.858 56.655 55.803 -0.009 0.000 0.881 435 Q CB 0.494 29.200 28.738 -0.053 0.000 1.235 435 Q HN 1.118 nan 8.270 nan 0.000 0.419 436 G N 2.381 111.217 108.800 0.060 0.000 2.245 436 G HA2 -0.266 3.694 3.960 0.000 0.000 0.264 436 G HA3 -0.266 3.694 3.960 0.000 0.000 0.264 436 G C 0.015 174.966 174.900 0.085 0.000 0.985 436 G CA 0.258 45.441 45.100 0.138 0.000 0.625 436 G HN 0.630 nan 8.290 nan 0.000 0.536 437 V N 1.002 120.949 119.914 0.055 0.000 2.583 437 V HA 0.558 4.678 4.120 0.000 0.000 0.287 437 V C 0.385 176.519 176.094 0.067 0.000 1.051 437 V CA -0.096 62.229 62.300 0.041 0.000 1.010 437 V CB 1.590 33.429 31.823 0.027 0.000 0.988 437 V HN 0.404 nan 8.190 nan 0.000 0.478 438 E N 1.862 122.105 120.200 0.071 0.000 2.266 438 E HA 0.546 4.896 4.350 0.000 0.000 0.268 438 E C -1.195 175.375 176.600 -0.051 0.000 0.879 438 E CA -0.570 55.872 56.400 0.070 0.000 0.762 438 E CB 2.149 31.983 29.700 0.224 0.000 1.199 438 E HN 0.684 nan 8.360 nan 0.000 0.422 439 S N 1.320 116.966 115.700 -0.090 0.000 2.456 439 S HA 0.382 4.852 4.470 0.000 0.000 0.316 439 S C -0.390 174.084 174.600 -0.211 0.000 1.089 439 S CA -0.808 57.326 58.200 -0.110 0.000 1.101 439 S CB 1.291 64.478 63.200 -0.023 0.000 0.995 439 S HN 0.222 nan 8.310 nan 0.000 0.468 440 V N 4.467 124.233 119.914 -0.246 0.000 2.328 440 V HA 0.326 4.446 4.120 0.000 0.000 0.278 440 V C -0.272 175.836 176.094 0.023 0.000 1.021 440 V CA -0.764 61.410 62.300 -0.210 0.000 0.838 440 V CB 0.306 31.935 31.823 -0.324 0.000 0.999 440 V HN 0.861 nan 8.190 nan 0.000 0.447 441 F N 6.255 126.171 119.950 -0.056 0.000 2.538 441 F HA 0.380 4.907 4.527 0.000 0.000 0.371 441 F C -0.503 175.337 175.800 0.066 0.000 1.087 441 F CA -0.636 57.365 58.000 0.001 0.000 1.250 441 F CB 0.338 39.324 39.000 -0.024 0.000 1.110 441 F HN 0.432 nan 8.300 nan 0.000 0.570 442 F N 6.563 126.038 119.950 -0.792 0.000 2.434 442 F HA 0.254 4.781 4.527 0.000 0.000 0.355 442 F C -0.592 174.610 175.800 -0.997 0.000 1.115 442 F CA -0.980 56.593 58.000 -0.711 0.000 1.010 442 F CB 0.319 39.112 39.000 -0.345 0.000 1.234 442 F HN 0.412 nan 8.300 nan 0.000 0.439 443 D N 4.750 124.353 120.400 -1.329 0.000 2.344 443 D HA 0.270 4.910 4.640 0.000 0.000 0.253 443 D C 0.858 176.820 176.300 -0.563 0.000 1.255 443 D CA 0.398 53.883 54.000 -0.858 0.000 0.894 443 D CB 1.594 42.136 40.800 -0.429 0.000 1.067 443 D HN 0.651 nan 8.370 nan 0.000 0.492 444 A N 3.608 126.250 122.820 -0.297 0.000 2.119 444 A HA -0.089 4.231 4.320 0.000 0.000 0.216 444 A C 1.622 179.055 177.584 -0.250 0.000 1.152 444 A CA 0.726 52.633 52.037 -0.216 0.000 0.708 444 A CB 0.020 18.958 19.000 -0.102 0.000 0.805 444 A HN 0.495 nan 8.150 nan 0.000 0.460 445 D N -0.556 119.739 120.400 -0.176 0.000 2.269 445 D HA -0.011 4.629 4.640 0.000 0.000 0.208 445 D C 1.909 178.106 176.300 -0.171 0.000 0.963 445 D CA 1.167 55.083 54.000 -0.139 0.000 0.864 445 D CB 0.148 40.914 40.800 -0.057 0.000 0.936 445 D HN 0.500 nan 8.370 nan 0.000 0.505 446 K N -0.660 119.612 120.400 -0.214 0.000 2.313 446 K HA 0.284 4.604 4.320 0.000 0.000 0.215 446 K C 1.176 177.622 176.600 -0.257 0.000 1.109 446 K CA -0.060 56.106 56.287 -0.202 0.000 0.895 446 K CB 0.255 32.651 32.500 -0.172 0.000 1.234 446 K HN -0.063 nan 8.250 nan 0.000 0.463 447 L N 2.000 123.001 121.223 -0.371 0.000 2.747 447 L HA 0.136 4.476 4.340 0.000 0.000 0.248 447 L C 0.539 177.242 176.870 -0.279 0.000 1.191 447 L CA -0.164 54.449 54.840 -0.379 0.000 1.003 447 L CB -0.961 40.675 42.059 -0.704 0.000 1.235 447 L HN 0.439 nan 8.230 nan 0.000 0.426 448 G N -0.307 108.300 108.800 -0.321 0.000 2.828 448 G HA2 -0.260 3.700 3.960 0.000 0.000 0.463 448 G HA3 -0.260 3.700 3.960 0.000 0.000 0.463 448 G C 0.324 174.933 174.900 -0.484 0.000 1.394 448 G CA -0.186 44.667 45.100 -0.413 0.000 0.862 448 G HN 0.405 nan 8.290 nan 0.000 0.540 449 H N 0.407 119.182 119.070 -0.491 0.000 2.512 449 H HA 0.070 4.626 4.556 0.000 0.000 0.279 449 H C 1.293 176.103 175.328 -0.864 0.000 0.999 449 H CA 0.879 56.439 56.048 -0.814 0.000 1.283 449 H CB 0.194 29.075 29.762 -1.467 0.000 1.421 449 H HN 0.752 nan 8.280 nan 0.000 0.554 450 D N -0.030 120.024 120.400 -0.577 0.000 3.205 450 D HA -0.196 4.444 4.640 0.000 0.000 0.227 450 D C 0.292 176.382 176.300 -0.351 0.000 1.171 450 D CA 0.250 53.981 54.000 -0.448 0.000 0.929 450 D CB -1.268 39.327 40.800 -0.343 0.000 0.900 450 D HN 0.414 nan 8.370 nan 0.000 0.404 451 W N 1.530 122.774 121.300 -0.093 0.000 2.413 451 W HA 0.062 4.722 4.660 0.000 0.000 0.315 451 W C 2.710 179.147 176.519 -0.136 0.000 1.186 451 W CA 0.161 57.440 57.345 -0.110 0.000 1.326 451 W CB -0.515 28.884 29.460 -0.102 0.000 1.153 451 W HN 0.504 nan 8.180 nan 0.000 0.489 452 G N 0.399 109.269 108.800 0.116 0.000 2.615 452 G HA2 -0.218 3.742 3.960 0.000 0.000 0.213 452 G HA3 -0.218 3.742 3.960 0.000 0.000 0.213 452 G C 0.905 175.793 174.900 -0.020 0.000 1.135 452 G CA 0.940 46.061 45.100 0.035 0.000 0.772 452 G HN 0.297 nan 8.290 nan 0.000 0.542 453 K N -1.203 119.158 120.400 -0.065 0.000 3.445 453 K HA -0.225 4.095 4.320 0.000 0.000 0.316 453 K C 1.206 177.734 176.600 -0.120 0.000 1.278 453 K CA 1.487 57.691 56.287 -0.138 0.000 0.976 453 K CB -0.732 31.661 32.500 -0.178 0.000 1.238 453 K HN 0.394 nan 8.250 nan 0.000 0.430 454 E N -0.161 120.020 120.200 -0.032 0.000 2.250 454 E HA -0.046 4.304 4.350 0.000 0.000 0.192 454 E C 1.486 178.069 176.600 -0.028 0.000 0.986 454 E CA 0.785 57.173 56.400 -0.021 0.000 0.849 454 E CB -0.078 29.626 29.700 0.007 0.000 0.797 454 E HN 0.461 nan 8.360 nan 0.000 0.482 455 H N 0.961 119.930 119.070 -0.167 0.000 2.352 455 H HA -0.028 4.528 4.556 0.000 0.000 0.299 455 H C 2.130 177.263 175.328 -0.325 0.000 1.097 455 H CA 1.584 57.536 56.048 -0.160 0.000 1.311 455 H CB 0.010 29.724 29.762 -0.081 0.000 1.377 455 H HN 0.004 nan 8.280 nan 0.000 0.504 456 R N -0.407 119.792 120.500 -0.502 0.000 2.115 456 R HA -0.049 4.291 4.340 0.000 0.000 0.226 456 R C 2.246 178.390 176.300 -0.259 0.000 1.100 456 R CA 1.018 56.730 56.100 -0.648 0.000 0.980 456 R CB -0.108 29.761 30.300 -0.719 0.000 0.875 456 R HN 0.148 nan 8.270 nan 0.000 0.445 457 V N 0.879 120.689 119.914 -0.173 0.000 2.358 457 V HA -0.211 3.909 4.120 0.000 0.000 0.246 457 V C 2.407 178.470 176.094 -0.051 0.000 1.047 457 V CA 1.930 64.178 62.300 -0.088 0.000 1.035 457 V CB -0.593 31.191 31.823 -0.066 0.000 0.658 457 V HN 0.383 nan 8.190 nan 0.000 0.452 458 A N 0.164 122.948 122.820 -0.060 0.000 1.902 458 A HA -0.157 4.163 4.320 0.000 0.000 0.217 458 A C 2.452 180.039 177.584 0.006 0.000 1.181 458 A CA 2.140 54.156 52.037 -0.035 0.000 0.623 458 A CB -0.870 18.087 19.000 -0.071 0.000 0.818 458 A HN 0.578 nan 8.150 nan 0.000 0.443 459 A N -0.538 122.293 122.820 0.018 0.000 1.948 459 A HA 0.035 4.355 4.320 0.000 0.000 0.220 459 A C 2.390 180.029 177.584 0.091 0.000 1.177 459 A CA 2.134 54.221 52.037 0.083 0.000 0.636 459 A CB -1.361 17.733 19.000 0.156 0.000 0.815 459 A HN 0.757 nan 8.150 nan 0.000 0.449 460 G N -0.888 107.942 108.800 0.050 0.000 2.402 460 G HA2 -0.037 3.923 3.960 0.000 0.000 0.216 460 G HA3 -0.037 3.923 3.960 0.000 0.000 0.216 460 G C 1.501 176.490 174.900 0.149 0.000 1.162 460 G CA 1.127 46.277 45.100 0.084 0.000 0.777 460 G HN 0.319 nan 8.290 nan 0.000 0.539 461 V N 1.071 121.037 119.914 0.087 0.000 2.307 461 V HA -0.121 3.999 4.120 0.000 0.000 0.245 461 V C 2.793 178.929 176.094 0.070 0.000 1.045 461 V CA 1.928 64.272 62.300 0.074 0.000 1.024 461 V CB -0.338 31.505 31.823 0.033 0.000 0.651 461 V HN 0.317 nan 8.190 nan 0.000 0.449 462 E N -0.315 119.926 120.200 0.067 0.000 2.153 462 E HA -0.230 4.120 4.350 0.000 0.000 0.194 462 E C 1.964 178.599 176.600 0.058 0.000 0.988 462 E CA 1.393 57.820 56.400 0.044 0.000 0.811 462 E CB -0.429 29.297 29.700 0.044 0.000 0.746 462 E HN 0.662 nan 8.360 nan 0.000 0.466 463 F N 1.852 121.789 119.950 -0.022 0.000 2.039 463 F HA -0.106 4.421 4.527 0.000 0.000 0.294 463 F C 2.410 178.154 175.800 -0.093 0.000 1.130 463 F CA 1.633 59.612 58.000 -0.036 0.000 1.189 463 F CB -0.562 38.442 39.000 0.007 0.000 0.983 463 F HN -0.007 nan 8.300 nan 0.000 0.471 464 A N 0.259 123.134 122.820 0.091 0.000 1.927 464 A HA -0.328 3.992 4.320 0.000 0.000 0.220 464 A C 2.298 179.731 177.584 -0.251 0.000 1.185 464 A CA 2.328 54.347 52.037 -0.030 0.000 0.639 464 A CB -1.039 18.085 19.000 0.206 0.000 0.820 464 A HN 0.544 nan 8.150 nan 0.000 0.451 465 K N -0.159 120.153 120.400 -0.147 0.000 2.025 465 K HA -0.141 4.179 4.320 0.000 0.000 0.207 465 K C 2.426 178.888 176.600 -0.230 0.000 1.049 465 K CA 1.674 57.875 56.287 -0.143 0.000 0.933 465 K CB -0.186 32.270 32.500 -0.075 0.000 0.714 465 K HN 0.672 nan 8.250 nan 0.000 0.438 466 S N 0.418 115.951 115.700 -0.278 0.000 2.423 466 S HA -0.048 4.422 4.470 0.000 0.000 0.231 466 S C 1.687 176.039 174.600 -0.413 0.000 1.014 466 S CA 0.745 58.773 58.200 -0.287 0.000 0.965 466 S CB -0.041 63.018 63.200 -0.235 0.000 0.785 466 S HN 0.135 nan 8.310 nan 0.000 0.495 467 K N 0.899 120.883 120.400 -0.693 0.000 2.366 467 K HA 0.139 4.459 4.320 0.000 0.000 0.198 467 K C 1.565 177.772 176.600 -0.654 0.000 1.044 467 K CA 0.785 56.557 56.287 -0.858 0.000 0.973 467 K CB -0.440 31.121 32.500 -1.564 0.000 0.767 467 K HN 0.674 nan 8.250 nan 0.000 0.475 468 G N 0.417 108.937 108.800 -0.466 0.000 2.179 468 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 468 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 468 G C 0.650 175.523 174.900 -0.046 0.000 0.990 468 G CA 0.171 45.151 45.100 -0.199 0.000 0.646 468 G HN 0.167 nan 8.290 nan 0.000 0.517 469 Y N 0.405 120.652 120.300 -0.089 0.000 2.242 469 Y HA 0.286 4.836 4.550 0.000 0.000 0.291 469 Y C 1.813 177.673 175.900 -0.066 0.000 1.137 469 Y CA 0.651 58.702 58.100 -0.082 0.000 1.181 469 Y CB -0.651 37.745 38.460 -0.107 0.000 0.989 469 Y HN 0.692 nan 8.280 nan 0.000 0.527 470 V N -1.315 118.641 119.914 0.070 0.000 2.656 470 V HA 0.598 4.718 4.120 0.000 0.000 0.307 470 V C -0.797 175.286 176.094 -0.019 0.000 1.051 470 V CA -1.286 61.028 62.300 0.023 0.000 0.893 470 V CB 1.945 33.785 31.823 0.029 0.000 0.999 470 V HN 0.072 nan 8.190 nan 0.000 0.426 471 Q N 1.042 120.827 119.800 -0.025 0.000 2.351 471 Q HA 0.501 4.841 4.340 0.000 0.000 0.273 471 Q C -0.447 175.525 176.000 -0.047 0.000 1.077 471 Q CA -0.976 54.804 55.803 -0.038 0.000 0.843 471 Q CB 2.110 30.827 28.738 -0.035 0.000 1.367 471 Q HN 0.818 nan 8.270 nan 0.000 0.449 472 T N 1.324 115.851 114.554 -0.046 0.000 2.709 472 T HA 0.105 4.455 4.350 0.000 0.000 0.269 472 T C 1.039 175.696 174.700 -0.071 0.000 1.008 472 T CA 1.424 63.492 62.100 -0.052 0.000 1.194 472 T CB -0.271 68.571 68.868 -0.044 0.000 0.986 472 T HN 0.971 nan 8.240 nan 0.000 0.508 473 G N 3.759 112.500 108.800 -0.097 0.000 2.424 473 G HA2 -0.191 3.769 3.960 0.000 0.000 0.207 473 G HA3 -0.191 3.769 3.960 0.000 0.000 0.207 473 G C -0.087 174.668 174.900 -0.241 0.000 1.061 473 G CA -0.349 44.659 45.100 -0.154 0.000 0.657 473 G HN 0.657 nan 8.290 nan 0.000 0.508 474 D N 0.829 121.131 120.400 -0.164 0.000 2.443 474 D HA 0.372 5.012 4.640 0.000 0.000 0.234 474 D C 0.295 176.501 176.300 -0.156 0.000 1.172 474 D CA 0.389 54.296 54.000 -0.155 0.000 0.878 474 D CB 0.285 41.053 40.800 -0.053 0.000 1.204 474 D HN 0.202 nan 8.370 nan 0.000 0.453 475 Y N -0.120 120.171 120.300 -0.014 0.000 2.326 475 Y HA 0.316 4.866 4.550 0.000 0.000 0.324 475 Y C 0.562 176.446 175.900 -0.026 0.000 1.291 475 Y CA -0.846 57.243 58.100 -0.019 0.000 1.348 475 Y CB 1.191 39.639 38.460 -0.021 0.000 1.294 475 Y HN 0.251 nan 8.280 nan 0.000 0.525 476 C N 2.156 121.567 119.300 0.185 0.000 2.817 476 C HA 0.571 5.031 4.460 0.000 0.000 0.385 476 C C -1.376 173.634 174.990 0.034 0.000 1.050 476 C CA -0.819 58.243 59.018 0.074 0.000 1.245 476 C CB -0.484 27.294 27.740 0.063 0.000 1.706 476 C HN 0.545 nan 8.230 nan 0.000 0.488 477 V N 6.752 126.661 119.914 -0.009 0.000 2.385 477 V HA 0.379 4.499 4.120 0.000 0.000 0.269 477 V C 0.255 176.337 176.094 -0.019 0.000 1.043 477 V CA -0.230 62.051 62.300 -0.030 0.000 0.906 477 V CB 1.263 33.047 31.823 -0.065 0.000 0.995 477 V HN 0.665 nan 8.190 nan 0.000 0.467 478 V N 6.904 126.813 119.914 -0.008 0.000 2.394 478 V HA 0.507 4.627 4.120 0.000 0.000 0.282 478 V C -0.078 176.021 176.094 0.008 0.000 1.031 478 V CA -0.380 61.921 62.300 0.002 0.000 0.881 478 V CB 1.674 33.500 31.823 0.006 0.000 0.982 478 V HN 0.709 nan 8.190 nan 0.000 0.451 479 I N 5.055 125.637 120.570 0.019 0.000 2.647 479 I HA 0.601 4.771 4.170 0.000 0.000 0.295 479 I C -1.589 174.583 176.117 0.091 0.000 1.078 479 I CA -0.558 60.763 61.300 0.034 0.000 1.048 479 I CB 2.254 40.255 38.000 0.001 0.000 1.239 479 I HN 0.922 nan 8.210 nan 0.000 0.421 480 H N 6.324 125.390 119.070 -0.006 0.000 2.782 480 H HA 0.827 5.383 4.556 0.000 0.000 0.347 480 H C -1.848 173.489 175.328 0.014 0.000 1.038 480 H CA -0.276 55.773 56.048 0.002 0.000 1.255 480 H CB 1.758 31.520 29.762 0.000 0.000 1.623 480 H HN 0.744 nan 8.280 nan 0.000 0.525 481 A N 4.499 127.023 122.820 -0.493 0.000 2.414 481 A HA 0.656 4.976 4.320 0.000 0.000 0.306 481 A C -0.915 176.441 177.584 -0.380 0.000 1.054 481 A CA 0.068 51.859 52.037 -0.409 0.000 0.724 481 A CB 1.168 20.073 19.000 -0.157 0.000 1.267 481 A HN 1.076 nan 8.150 nan 0.000 0.418 488 Y N 2.585 122.905 120.300 0.034 0.000 2.618 488 Y HA 0.570 5.120 4.550 0.000 0.000 0.236 488 Y C 2.022 177.968 175.900 0.077 0.000 0.993 488 Y CA 0.962 59.097 58.100 0.058 0.000 1.043 488 Y CB -0.628 37.877 38.460 0.075 0.000 1.041 488 Y HN 1.343 nan 8.280 nan 0.000 0.468 489 A N 0.259 123.284 122.820 0.341 0.000 6.088 489 A HA -0.272 4.048 4.320 0.000 0.000 0.261 489 A C -0.228 177.396 177.584 0.067 0.000 2.138 489 A CA 0.139 52.254 52.037 0.130 0.000 0.708 489 A CB -2.060 16.948 19.000 0.013 0.000 1.068 489 A HN 0.899 nan 8.150 nan 0.000 0.364 490 N N 0.039 118.682 118.700 -0.094 0.000 2.612 490 N HA -0.092 4.648 4.740 0.000 0.000 0.303 490 N C -0.242 175.302 175.510 0.057 0.000 1.320 490 N CA 1.833 54.865 53.050 -0.030 0.000 0.675 490 N CB -0.639 37.845 38.487 -0.006 0.000 1.032 490 N HN 1.088 nan 8.380 nan 0.000 0.513 491 Q N 0.567 120.401 119.800 0.056 0.000 2.507 491 Q HA 0.279 4.619 4.340 0.000 0.000 0.248 491 Q C -1.797 174.238 176.000 0.059 0.000 0.941 491 Q CA -0.361 55.495 55.803 0.087 0.000 1.003 491 Q CB 1.413 30.250 28.738 0.165 0.000 1.517 491 Q HN 0.546 nan 8.270 nan 0.000 0.443 492 T N 3.582 118.153 114.554 0.029 0.000 2.928 492 T HA 0.609 4.959 4.350 0.000 0.000 0.296 492 T C -0.956 173.746 174.700 0.003 0.000 1.000 492 T CA -0.678 61.428 62.100 0.010 0.000 0.989 492 T CB 1.081 69.942 68.868 -0.011 0.000 1.005 492 T HN 0.451 nan 8.240 nan 0.000 0.442 493 R N 1.878 122.378 120.500 0.000 0.000 2.778 493 R HA 0.707 5.047 4.340 0.000 0.000 0.277 493 R C -0.751 175.539 176.300 -0.016 0.000 0.977 493 R CA -0.938 55.158 56.100 -0.005 0.000 0.950 493 R CB 1.885 32.187 30.300 0.003 0.000 1.165 493 R HN 0.512 nan 8.270 nan 0.000 0.474 494 I N 3.150 123.704 120.570 -0.027 0.000 2.330 494 I HA 0.263 4.433 4.170 0.000 0.000 0.289 494 I C -0.343 175.792 176.117 0.030 0.000 1.001 494 I CA -0.464 60.816 61.300 -0.035 0.000 1.193 494 I CB 0.999 38.916 38.000 -0.139 0.000 1.345 494 I HN 0.287 nan 8.210 nan 0.000 0.461 495 L N 6.487 127.754 121.223 0.073 0.000 2.307 495 L HA 0.422 4.762 4.340 0.000 0.000 0.282 495 L C -0.301 176.678 176.870 0.182 0.000 1.051 495 L CA -0.845 54.052 54.840 0.096 0.000 0.804 495 L CB 1.862 43.955 42.059 0.057 0.000 1.197 495 L HN 0.482 nan 8.230 nan 0.000 0.431 496 L N 3.961 125.272 121.223 0.147 0.000 2.325 496 L HA 0.222 4.562 4.340 0.000 0.000 0.284 496 L C -0.142 176.738 176.870 0.017 0.000 1.089 496 L CA -0.195 54.692 54.840 0.077 0.000 0.836 496 L CB 1.131 43.214 42.059 0.040 0.000 1.184 496 L HN 0.263 nan 8.230 nan 0.000 0.444 497 V N 6.216 126.126 119.914 -0.007 0.000 2.475 497 V HA -0.008 4.112 4.120 0.000 0.000 0.292 497 V C 0.777 176.854 176.094 -0.028 0.000 1.003 497 V CA 0.012 62.305 62.300 -0.013 0.000 1.120 497 V CB -0.254 31.559 31.823 -0.016 0.000 0.937 497 V HN 0.721 nan 8.190 nan 0.000 0.476 498 E N 0.000 120.189 120.200 -0.019 0.000 2.725 498 E HA 0.000 4.350 4.350 0.000 0.000 0.291 498 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 498 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440