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 1yw4_1_B DATA FIRST_RESID 4 DATA SEQUENCE SPSFLQHALS SSDTRAEWPL PGGLAARWLA PGCVELNGDA RGADSVLLSC DATA SEQUENCE GVHGNETAPI EVVDGXLTDI AAGQLALNCR LLVXFANLDA IRQGVRYGNY DATA SEQUENCE DXNRLFNGAH ARHPELPESV RAAELETLAA EFFAGARARK LHYDLHTAIR DATA SEQUENCE GSVFEKFAIY PFLHDGRTHK REQLAWLQRC GIEAVLLHTQ PANTFSYFTS DATA SEQUENCE QYCEADAFTL ELGKARPFGQ NDLSRFSGID GALRGLLSNP QANVPDLDED DATA SEQUENCE KLPLFRAKYD LVXXXXXXXL NLADSVENFT LLPDGXLIAX XXXXRYQATG DATA SEQUENCE GEERILFPNP XXXXXXXAGI VVEPARLP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.412 174.600 -0.314 0.000 1.055 4 S CA 0.000 58.086 58.200 -0.190 0.000 1.107 4 S CB 0.000 63.058 63.200 -0.237 0.000 0.593 5 P HA 0.202 nan 4.420 nan 0.000 0.237 5 P C 0.181 177.511 177.300 0.050 0.000 1.178 5 P CA 0.581 63.597 63.100 -0.141 0.000 0.766 5 P CB -0.087 31.579 31.700 -0.057 0.000 0.876 6 S N -0.653 115.099 115.700 0.087 0.000 2.430 6 S HA 0.282 4.752 4.470 0.000 0.000 0.289 6 S C 0.739 175.551 174.600 0.353 0.000 1.143 6 S CA -0.680 57.654 58.200 0.223 0.000 1.067 6 S CB -0.205 63.061 63.200 0.111 0.000 0.964 6 S HN -0.124 nan 8.310 nan 0.000 0.485 7 F N 3.635 123.821 119.950 0.394 0.000 2.146 7 F HA -0.033 4.494 4.527 0.000 0.000 0.298 7 F C 1.959 177.914 175.800 0.258 0.000 1.096 7 F CA 0.817 59.127 58.000 0.516 0.000 1.275 7 F CB -0.211 39.080 39.000 0.485 0.000 1.008 7 F HN 0.572 nan 8.300 nan 0.000 0.480 8 L N 0.437 121.757 121.223 0.162 0.000 2.046 8 L HA -0.233 4.107 4.340 0.000 0.000 0.208 8 L C 2.374 179.118 176.870 -0.209 0.000 1.077 8 L CA 1.819 56.450 54.840 -0.347 0.000 0.747 8 L CB -1.067 40.810 42.059 -0.303 0.000 0.896 8 L HN 0.239 nan 8.230 nan 0.000 0.432 9 Q N -1.461 118.300 119.800 -0.066 0.000 2.096 9 Q HA -0.327 4.013 4.340 0.000 0.000 0.204 9 Q C 2.299 178.258 176.000 -0.069 0.000 0.982 9 Q CA 2.081 57.840 55.803 -0.074 0.000 0.850 9 Q CB -0.266 28.458 28.738 -0.024 0.000 0.901 9 Q HN 0.769 nan 8.270 nan 0.000 0.422 10 H N -0.607 118.411 119.070 -0.086 0.000 2.389 10 H HA -0.004 4.552 4.556 0.000 0.000 0.299 10 H C 1.681 176.786 175.328 -0.372 0.000 1.081 10 H CA 1.784 57.706 56.048 -0.211 0.000 1.345 10 H CB -0.102 29.530 29.762 -0.217 0.000 1.393 10 H HN 0.367 nan 8.280 nan 0.000 0.520 11 A N 0.222 122.899 122.820 -0.238 0.000 2.015 11 A HA -0.022 4.298 4.320 0.000 0.000 0.219 11 A C 2.079 179.552 177.584 -0.185 0.000 1.163 11 A CA 1.137 53.064 52.037 -0.184 0.000 0.646 11 A CB -0.444 18.561 19.000 0.009 0.000 0.806 11 A HN 0.487 nan 8.150 nan 0.000 0.448 12 L N -0.163 120.938 121.223 -0.203 0.000 2.592 12 L HA 0.047 4.387 4.340 0.000 0.000 0.227 12 L C 2.070 178.848 176.870 -0.154 0.000 1.127 12 L CA 0.917 55.670 54.840 -0.145 0.000 0.884 12 L CB 0.103 42.083 42.059 -0.132 0.000 1.065 12 L HN 0.582 nan 8.230 nan 0.000 0.457 13 S N -3.029 112.534 115.700 -0.229 0.000 2.663 13 S HA -0.010 4.460 4.470 0.000 0.000 0.247 13 S C 1.050 175.477 174.600 -0.288 0.000 1.074 13 S CA 0.407 58.476 58.200 -0.220 0.000 0.955 13 S CB 0.555 63.632 63.200 -0.206 0.000 0.901 13 S HN 0.158 nan 8.310 nan 0.000 0.505 14 S N 1.182 116.606 115.700 -0.462 0.000 3.682 14 S HA -0.216 4.254 4.470 0.000 0.000 0.354 14 S C 1.037 175.357 174.600 -0.467 0.000 1.034 14 S CA 0.732 58.618 58.200 -0.523 0.000 1.084 14 S CB -2.345 60.692 63.200 -0.270 0.000 0.903 14 S HN 0.708 nan 8.310 nan 0.000 0.470 15 S N -0.022 115.337 115.700 -0.569 0.000 2.393 15 S HA -0.214 4.256 4.470 0.000 0.000 0.234 15 S C 1.152 175.662 174.600 -0.149 0.000 1.064 15 S CA 2.020 60.058 58.200 -0.269 0.000 1.088 15 S CB -0.386 62.731 63.200 -0.140 0.000 0.939 15 S HN 0.964 nan 8.310 nan 0.000 0.448 16 D N -2.201 118.117 120.400 -0.138 0.000 3.161 16 D HA 0.351 4.991 4.640 0.000 0.000 0.224 16 D C 1.311 177.566 176.300 -0.075 0.000 1.180 16 D CA 0.708 54.696 54.000 -0.019 0.000 1.207 16 D CB 0.705 41.569 40.800 0.106 0.000 1.008 16 D HN 0.103 nan 8.370 nan 0.000 0.316 17 T N -2.585 111.953 114.554 -0.027 0.000 3.978 17 T HA 0.130 4.481 4.350 0.000 0.000 0.312 17 T C 0.018 174.762 174.700 0.074 0.000 0.873 17 T CA -0.142 61.953 62.100 -0.009 0.000 1.238 17 T CB -0.374 68.491 68.868 -0.004 0.000 0.981 17 T HN 0.103 nan 8.240 nan 0.000 0.468 18 R N 1.295 121.849 120.500 0.091 0.000 2.590 18 R HA 0.722 5.062 4.340 0.000 0.000 0.410 18 R C 0.430 176.817 176.300 0.145 0.000 1.010 18 R CA 0.453 56.632 56.100 0.132 0.000 1.155 18 R CB 0.975 31.328 30.300 0.088 0.000 1.455 18 R HN 0.465 nan 8.270 nan 0.000 0.567 19 A N 1.028 123.935 122.820 0.146 0.000 2.433 19 A HA 0.088 4.408 4.320 0.000 0.000 0.250 19 A C -0.139 177.570 177.584 0.208 0.000 1.113 19 A CA 0.273 52.411 52.037 0.168 0.000 0.794 19 A CB 0.216 19.328 19.000 0.187 0.000 1.067 19 A HN 0.309 nan 8.150 nan 0.000 0.510 20 E N -0.549 119.788 120.200 0.228 0.000 2.241 20 E HA 0.380 4.730 4.350 0.000 0.000 0.263 20 E C -1.923 174.903 176.600 0.376 0.000 0.882 20 E CA -0.550 55.976 56.400 0.210 0.000 0.769 20 E CB 0.806 30.588 29.700 0.138 0.000 1.185 20 E HN 0.574 nan 8.360 nan 0.000 0.415 21 W N 4.847 126.198 121.300 0.084 0.000 2.361 21 W HA 0.369 5.029 4.660 0.000 0.000 0.309 21 W C -2.295 174.249 176.519 0.042 0.000 1.122 21 W CA -2.900 54.470 57.345 0.042 0.000 1.208 21 W CB 0.664 30.136 29.460 0.019 0.000 1.246 21 W HN 0.406 nan 8.180 nan 0.000 0.490 22 P HA 0.090 nan 4.420 nan 0.000 0.271 22 P C -0.370 177.016 177.300 0.144 0.000 1.216 22 P CA 0.166 63.348 63.100 0.136 0.000 0.771 22 P CB 0.747 32.492 31.700 0.075 0.000 0.864 23 L N 5.279 126.578 121.223 0.127 0.000 2.341 23 L HA 0.532 4.872 4.340 0.000 0.000 0.267 23 L C -2.246 174.674 176.870 0.082 0.000 1.009 23 L CA -2.507 52.408 54.840 0.125 0.000 0.819 23 L CB 1.751 43.893 42.059 0.139 0.000 1.323 23 L HN 0.145 nan 8.230 nan 0.000 0.425 24 P HA 0.179 nan 4.420 nan 0.000 0.269 24 P C 0.516 177.844 177.300 0.046 0.000 1.217 24 P CA 0.549 63.681 63.100 0.053 0.000 0.783 24 P CB 0.541 32.272 31.700 0.052 0.000 0.898 25 G N 0.929 109.751 108.800 0.036 0.000 2.153 25 G HA2 -0.104 3.856 3.960 0.000 0.000 0.252 25 G HA3 -0.104 3.856 3.960 0.000 0.000 0.252 25 G C 0.893 175.811 174.900 0.030 0.000 0.994 25 G CA 0.467 45.585 45.100 0.030 0.000 0.698 25 G HN 1.082 nan 8.290 nan 0.000 0.521 26 G N -2.313 106.507 108.800 0.034 0.000 2.179 26 G HA2 -0.109 3.851 3.960 0.000 0.000 0.260 26 G HA3 -0.109 3.851 3.960 0.000 0.000 0.260 26 G C 0.476 175.399 174.900 0.038 0.000 0.977 26 G CA 0.841 45.961 45.100 0.033 0.000 0.641 26 G HN 1.289 nan 8.290 nan 0.000 0.533 27 L N 0.629 121.878 121.223 0.044 0.000 2.482 27 L HA 0.820 5.160 4.340 0.000 0.000 0.242 27 L C 0.849 177.759 176.870 0.066 0.000 1.210 27 L CA 0.776 55.644 54.840 0.048 0.000 0.819 27 L CB 0.943 43.029 42.059 0.046 0.000 1.203 27 L HN 0.969 nan 8.230 nan 0.000 0.495 28 A N -0.376 122.484 122.820 0.066 0.000 2.604 28 A HA 0.844 5.164 4.320 0.000 0.000 0.295 28 A C -1.513 176.111 177.584 0.067 0.000 1.067 28 A CA -0.192 51.899 52.037 0.090 0.000 0.683 28 A CB 1.257 20.304 19.000 0.078 0.000 1.281 28 A HN 0.754 nan 8.150 nan 0.000 0.407 29 A N 1.556 124.434 122.820 0.096 0.000 2.256 29 A HA 0.693 5.013 4.320 0.000 0.000 0.317 29 A C -0.093 177.378 177.584 -0.188 0.000 1.318 29 A CA -0.478 51.538 52.037 -0.035 0.000 0.894 29 A CB 0.271 19.346 19.000 0.125 0.000 1.165 29 A HN 0.673 nan 8.150 nan 0.000 0.525 30 R N 1.960 122.314 120.500 -0.242 0.000 2.295 30 R HA 0.274 4.614 4.340 0.000 0.000 0.324 30 R C -1.589 174.532 176.300 -0.299 0.000 0.968 30 R CA -0.238 55.754 56.100 -0.180 0.000 0.837 30 R CB 1.379 31.643 30.300 -0.060 0.000 1.133 30 R HN 0.756 nan 8.270 nan 0.000 0.450 31 W N 4.844 126.062 121.300 -0.136 0.000 2.481 31 W HA 0.187 4.847 4.660 0.000 0.000 0.320 31 W C 0.943 177.435 176.519 -0.046 0.000 1.209 31 W CA -0.437 56.848 57.345 -0.100 0.000 1.400 31 W CB 0.347 29.740 29.460 -0.111 0.000 1.361 31 W HN 0.533 nan 8.180 nan 0.000 0.456 32 L N 2.975 124.252 121.223 0.090 0.000 2.395 32 L HA 0.261 4.601 4.340 0.000 0.000 0.218 32 L C 1.173 178.096 176.870 0.089 0.000 1.130 32 L CA 0.439 55.316 54.840 0.063 0.000 0.826 32 L CB -0.602 41.459 42.059 0.004 0.000 0.941 32 L HN 0.491 nan 8.230 nan 0.000 0.451 33 A N -1.548 121.357 122.820 0.141 0.000 2.515 33 A HA 0.560 4.880 4.320 0.000 0.000 0.292 33 A C -2.797 174.893 177.584 0.177 0.000 1.065 33 A CA -0.899 51.209 52.037 0.118 0.000 0.641 33 A CB 0.158 19.198 19.000 0.067 0.000 1.306 33 A HN -0.240 nan 8.150 nan 0.000 0.441 34 P HA 0.320 nan 4.420 nan 0.000 0.262 34 P C 1.025 178.444 177.300 0.199 0.000 1.182 34 P CA 2.335 65.494 63.100 0.097 0.000 0.761 34 P CB 0.503 32.219 31.700 0.027 0.000 0.795 35 G N 1.916 110.901 108.800 0.310 0.000 2.180 35 G HA2 -0.281 3.679 3.960 0.000 0.000 0.263 35 G HA3 -0.281 3.679 3.960 0.000 0.000 0.263 35 G C -0.020 175.190 174.900 0.517 0.000 0.989 35 G CA 0.066 45.469 45.100 0.505 0.000 0.692 35 G HN 0.651 nan 8.290 nan 0.000 0.526 36 C N -0.125 119.416 119.300 0.402 0.000 2.322 36 C HA 0.735 5.195 4.460 0.000 0.000 0.324 36 C C 0.323 175.270 174.990 -0.072 0.000 1.249 36 C CA -0.838 58.247 59.018 0.112 0.000 1.453 36 C CB 1.176 28.943 27.740 0.045 0.000 2.145 36 C HN 0.542 nan 8.230 nan 0.000 0.466 37 V N 3.847 123.530 119.914 -0.385 0.000 2.588 37 V HA 0.570 4.691 4.120 0.000 0.000 0.304 37 V C -0.604 175.190 176.094 -0.501 0.000 1.042 37 V CA -0.084 61.773 62.300 -0.739 0.000 0.877 37 V CB 1.742 32.705 31.823 -1.433 0.000 0.996 37 V HN 0.933 nan 8.190 nan 0.000 0.425 38 E N 5.332 125.289 120.200 -0.405 0.000 2.166 38 E HA 0.601 4.951 4.350 0.000 0.000 0.275 38 E C -1.890 174.588 176.600 -0.203 0.000 0.941 38 E CA -0.694 55.537 56.400 -0.281 0.000 0.784 38 E CB 1.684 31.278 29.700 -0.176 0.000 1.115 38 E HN 0.598 nan 8.360 nan 0.000 0.399 39 L N 4.142 125.276 121.223 -0.148 0.000 2.362 39 L HA 0.310 4.650 4.340 0.000 0.000 0.271 39 L C 0.170 177.026 176.870 -0.023 0.000 1.002 39 L CA -0.559 54.233 54.840 -0.079 0.000 0.818 39 L CB 1.424 43.430 42.059 -0.089 0.000 1.298 39 L HN 0.745 nan 8.230 nan 0.000 0.420 40 N N 1.219 119.919 118.700 -0.001 0.000 2.721 40 N HA -0.191 4.549 4.740 0.000 0.000 0.249 40 N C 1.198 176.722 175.510 0.023 0.000 1.072 40 N CA 0.981 54.038 53.050 0.013 0.000 0.710 40 N CB -0.642 37.853 38.487 0.012 0.000 0.993 40 N HN 0.980 nan 8.380 nan 0.000 0.547 41 G N -0.688 108.130 108.800 0.029 0.000 2.471 41 G HA2 -0.204 3.756 3.960 0.000 0.000 0.219 41 G HA3 -0.204 3.756 3.960 0.000 0.000 0.219 41 G C 0.997 175.905 174.900 0.013 0.000 1.125 41 G CA 0.844 45.974 45.100 0.051 0.000 0.775 41 G HN 0.479 nan 8.290 nan 0.000 0.548 42 D N 0.799 121.204 120.400 0.007 0.000 2.363 42 D HA 0.121 4.761 4.640 0.000 0.000 0.220 42 D C 1.727 178.021 176.300 -0.010 0.000 0.994 42 D CA 0.324 54.323 54.000 -0.002 0.000 0.890 42 D CB -0.025 40.778 40.800 0.004 0.000 0.906 42 D HN 0.256 nan 8.370 nan 0.000 0.530 43 A N 1.403 124.217 122.820 -0.010 0.000 2.898 43 A HA -0.031 4.289 4.320 0.000 0.000 0.288 43 A C 1.373 178.938 177.584 -0.032 0.000 1.771 43 A CA -0.125 51.903 52.037 -0.016 0.000 1.383 43 A CB -0.437 18.557 19.000 -0.011 0.000 1.028 43 A HN 0.127 nan 8.150 nan 0.000 0.595 44 R N 2.044 122.526 120.500 -0.029 0.000 2.206 44 R HA -0.262 4.078 4.340 0.000 0.000 0.240 44 R C 1.569 177.842 176.300 -0.046 0.000 1.117 44 R CA 2.025 58.103 56.100 -0.036 0.000 0.915 44 R CB -0.317 29.967 30.300 -0.026 0.000 0.888 44 R HN 0.659 nan 8.270 nan 0.000 0.432 45 G N -0.741 108.036 108.800 -0.038 0.000 3.805 45 G HA2 0.509 4.469 3.960 0.000 0.000 0.290 45 G HA3 0.509 4.469 3.960 0.000 0.000 0.290 45 G C -0.350 174.525 174.900 -0.040 0.000 1.077 45 G CA 0.075 45.150 45.100 -0.042 0.000 0.852 45 G HN 0.444 nan 8.290 nan 0.000 0.531 46 A N 0.095 122.891 122.820 -0.040 0.000 2.271 46 A HA 0.576 4.897 4.320 0.000 0.000 0.288 46 A C -0.168 177.391 177.584 -0.042 0.000 1.094 46 A CA -0.526 51.492 52.037 -0.032 0.000 0.828 46 A CB 0.630 19.619 19.000 -0.019 0.000 1.091 46 A HN 0.187 nan 8.150 nan 0.000 0.493 47 D N 0.891 121.273 120.400 -0.031 0.000 2.423 47 D HA 0.285 4.925 4.640 0.000 0.000 0.238 47 D C -0.250 176.040 176.300 -0.017 0.000 1.142 47 D CA 0.893 54.875 54.000 -0.031 0.000 0.884 47 D CB 0.687 41.471 40.800 -0.027 0.000 1.199 47 D HN 0.283 nan 8.370 nan 0.000 0.438 48 S N 0.663 116.356 115.700 -0.012 0.000 2.456 48 S HA 0.435 4.905 4.470 0.000 0.000 0.316 48 S C -0.259 174.462 174.600 0.202 0.000 1.089 48 S CA -0.800 57.408 58.200 0.014 0.000 1.101 48 S CB 1.295 64.322 63.200 -0.289 0.000 0.995 48 S HN 0.142 nan 8.310 nan 0.000 0.468 49 V N 4.526 124.592 119.914 0.254 0.000 2.448 49 V HA 0.464 4.584 4.120 0.000 0.000 0.295 49 V C -0.597 175.554 176.094 0.096 0.000 1.025 49 V CA -0.779 61.628 62.300 0.178 0.000 0.859 49 V CB 1.411 33.295 31.823 0.102 0.000 0.988 49 V HN 0.709 nan 8.190 nan 0.000 0.431 50 L N 6.994 128.258 121.223 0.068 0.000 2.280 50 L HA 0.599 4.939 4.340 0.000 0.000 0.287 50 L C -0.799 176.076 176.870 0.007 0.000 1.023 50 L CA 0.114 54.853 54.840 -0.169 0.000 0.819 50 L CB 0.996 42.884 42.059 -0.286 0.000 1.212 50 L HN 0.549 nan 8.230 nan 0.000 0.420 51 L N 5.301 126.488 121.223 -0.060 0.000 2.294 51 L HA 0.542 4.882 4.340 0.000 0.000 0.283 51 L C -0.161 176.698 176.870 -0.019 0.000 1.015 51 L CA -0.455 54.411 54.840 0.043 0.000 0.831 51 L CB 1.507 43.566 42.059 0.001 0.000 1.217 51 L HN 0.758 nan 8.230 nan 0.000 0.420 52 S N 1.969 117.742 115.700 0.120 0.000 2.501 52 S HA 0.819 5.289 4.470 0.000 0.000 0.301 52 S C -0.327 174.325 174.600 0.087 0.000 1.096 52 S CA -0.740 57.538 58.200 0.130 0.000 1.063 52 S CB 1.905 65.348 63.200 0.406 0.000 1.042 52 S HN 0.752 nan 8.310 nan 0.000 0.494 53 C N -0.889 118.418 119.300 0.011 0.000 3.288 53 C HA 0.949 5.409 4.460 0.000 0.000 0.318 53 C C 1.036 176.049 174.990 0.038 0.000 1.356 53 C CA 0.016 59.035 59.018 0.001 0.000 1.359 53 C CB 0.370 28.116 27.740 0.010 0.000 1.688 53 C HN 2.250 nan 8.230 nan 0.000 0.467 54 G N 0.657 109.462 108.800 0.007 0.000 2.160 54 G HA2 -0.169 3.791 3.960 0.000 0.000 0.251 54 G HA3 -0.169 3.791 3.960 0.000 0.000 0.251 54 G C 0.378 175.292 174.900 0.024 0.000 1.008 54 G CA 0.473 45.609 45.100 0.060 0.000 0.724 54 G HN 1.540 nan 8.290 nan 0.000 0.514 55 V N -0.580 119.270 119.914 -0.107 0.000 2.490 55 V HA -0.028 4.092 4.120 0.000 0.000 0.250 55 V C 1.287 177.327 176.094 -0.091 0.000 1.061 55 V CA 2.130 64.364 62.300 -0.110 0.000 1.064 55 V CB -0.305 31.384 31.823 -0.224 0.000 0.670 55 V HN 0.692 nan 8.190 nan 0.000 0.461 56 H N -1.401 117.670 119.070 0.002 0.000 2.587 56 H HA 0.406 4.962 4.556 0.000 0.000 0.325 56 H C 1.176 176.505 175.328 0.003 0.000 1.012 56 H CA -0.056 56.017 56.048 0.041 0.000 1.213 56 H CB 1.559 31.352 29.762 0.051 0.000 1.431 56 H HN 0.145 nan 8.280 nan 0.000 0.492 57 G N 2.340 111.223 108.800 0.138 0.000 2.479 57 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 57 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 57 G C 1.365 176.249 174.900 -0.027 0.000 1.115 57 G CA 0.784 45.920 45.100 0.060 0.000 0.757 57 G HN 0.683 nan 8.290 nan 0.000 0.560 58 N N 0.690 119.374 118.700 -0.026 0.000 2.412 58 N HA -0.017 4.723 4.740 0.000 0.000 0.184 58 N C 0.342 175.785 175.510 -0.112 0.000 1.101 58 N CA 0.128 53.127 53.050 -0.086 0.000 0.881 58 N CB -0.022 38.427 38.487 -0.063 0.000 0.969 58 N HN 0.334 nan 8.380 nan 0.000 0.459 59 E N 1.063 121.222 120.200 -0.068 0.000 1.964 59 E HA 0.071 4.421 4.350 0.000 0.000 0.264 59 E C 0.467 176.972 176.600 -0.158 0.000 1.120 59 E CA -0.227 56.135 56.400 -0.064 0.000 1.061 59 E CB 0.411 30.127 29.700 0.026 0.000 1.190 59 E HN 0.387 nan 8.360 nan 0.000 0.459 60 T N -1.876 112.495 114.554 -0.305 0.000 3.067 60 T HA 0.044 4.394 4.350 0.000 0.000 0.261 60 T C 1.911 176.458 174.700 -0.255 0.000 1.110 60 T CA 0.528 62.345 62.100 -0.472 0.000 1.113 60 T CB 0.210 68.391 68.868 -1.145 0.000 0.917 60 T HN 0.262 nan 8.240 nan 0.000 0.499 61 A N 3.110 125.765 122.820 -0.275 0.000 1.883 61 A HA 0.061 4.381 4.320 0.000 0.000 0.217 61 A C 0.309 177.657 177.584 -0.393 0.000 1.186 61 A CA 1.405 53.165 52.037 -0.462 0.000 0.624 61 A CB -1.612 16.799 19.000 -0.982 0.000 0.822 61 A HN 0.490 nan 8.150 nan 0.000 0.444 62 P HA -0.078 nan 4.420 nan 0.000 0.218 62 P C 1.283 178.591 177.300 0.013 0.000 1.149 62 P CA 0.791 63.828 63.100 -0.106 0.000 0.817 62 P CB -0.112 31.573 31.700 -0.025 0.000 0.785 63 I N -0.267 120.349 120.570 0.077 0.000 2.179 63 I HA -0.229 3.941 4.170 0.000 0.000 0.242 63 I C 2.162 178.463 176.117 0.305 0.000 1.088 63 I CA 1.585 63.054 61.300 0.282 0.000 1.357 63 I CB -0.771 37.461 38.000 0.387 0.000 1.051 63 I HN 0.009 nan 8.210 nan 0.000 0.409 64 E N 0.583 120.921 120.200 0.229 0.000 2.106 64 E HA -0.154 4.196 4.350 0.000 0.000 0.192 64 E C 2.366 179.035 176.600 0.115 0.000 0.984 64 E CA 1.171 57.686 56.400 0.190 0.000 0.806 64 E CB -0.110 29.685 29.700 0.159 0.000 0.750 64 E HN 0.297 nan 8.360 nan 0.000 0.458 65 V N 1.122 121.064 119.914 0.046 0.000 2.295 65 V HA -0.236 3.884 4.120 0.000 0.000 0.246 65 V C 2.373 178.508 176.094 0.069 0.000 1.049 65 V CA 1.396 63.718 62.300 0.037 0.000 1.024 65 V CB -0.377 31.443 31.823 -0.005 0.000 0.648 65 V HN 0.131 nan 8.190 nan 0.000 0.447 66 V N 0.483 120.448 119.914 0.084 0.000 2.343 66 V HA -0.294 3.826 4.120 0.000 0.000 0.247 66 V C 2.315 178.475 176.094 0.111 0.000 1.051 66 V CA 2.422 64.763 62.300 0.068 0.000 1.036 66 V CB -0.703 31.132 31.823 0.019 0.000 0.654 66 V HN 0.663 nan 8.190 nan 0.000 0.451 67 D N 0.138 120.674 120.400 0.227 0.000 2.144 67 D HA -0.021 4.619 4.640 0.000 0.000 0.199 67 D C 1.444 177.837 176.300 0.155 0.000 0.984 67 D CA 1.072 55.226 54.000 0.256 0.000 0.834 67 D CB -0.359 40.602 40.800 0.269 0.000 0.955 67 D HN 0.432 nan 8.370 nan 0.000 0.465 71 T N 0.198 114.813 114.554 0.102 0.000 2.684 71 T HA -0.168 4.182 4.350 0.000 0.000 0.267 71 T C 1.134 175.932 174.700 0.163 0.000 1.036 71 T CA 2.021 64.272 62.100 0.252 0.000 1.148 71 T CB -0.215 68.775 68.868 0.203 0.000 0.863 71 T HN 0.247 nan 8.240 nan 0.000 0.436 72 D N 0.815 121.271 120.400 0.093 0.000 2.178 72 D HA 0.002 4.642 4.640 0.000 0.000 0.201 72 D C 2.038 178.379 176.300 0.068 0.000 0.980 72 D CA 0.641 54.684 54.000 0.072 0.000 0.842 72 D CB -0.345 40.486 40.800 0.052 0.000 0.948 72 D HN 0.388 nan 8.370 nan 0.000 0.472 73 I N 0.999 121.601 120.570 0.053 0.000 2.252 73 I HA -0.219 3.952 4.170 0.000 0.000 0.245 73 I C 2.421 178.603 176.117 0.108 0.000 1.102 73 I CA 0.934 62.265 61.300 0.052 0.000 1.385 73 I CB -0.158 37.842 38.000 0.001 0.000 1.064 73 I HN -0.075 nan 8.210 nan 0.000 0.414 74 A N 0.545 123.477 122.820 0.186 0.000 1.969 74 A HA -0.025 4.295 4.320 0.000 0.000 0.218 74 A C 2.389 180.057 177.584 0.140 0.000 1.169 74 A CA 1.572 53.750 52.037 0.235 0.000 0.635 74 A CB -0.566 18.677 19.000 0.406 0.000 0.810 74 A HN 0.421 nan 8.150 nan 0.000 0.445 75 A N -2.013 120.877 122.820 0.117 0.000 2.169 75 A HA 0.405 4.725 4.320 0.000 0.000 0.212 75 A C 1.857 179.476 177.584 0.059 0.000 1.153 75 A CA 1.255 53.337 52.037 0.076 0.000 0.756 75 A CB -0.746 18.297 19.000 0.071 0.000 0.813 75 A HN 1.817 nan 8.150 nan 0.000 0.471 76 G N -1.457 107.381 108.800 0.063 0.000 2.176 76 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 76 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 76 G C 0.857 175.783 174.900 0.042 0.000 0.979 76 G CA 0.556 45.685 45.100 0.049 0.000 0.641 76 G HN 0.386 nan 8.290 nan 0.000 0.530 77 Q N -1.245 118.582 119.800 0.045 0.000 2.311 77 Q HA 0.246 4.586 4.340 0.000 0.000 0.203 77 Q C 0.962 176.984 176.000 0.037 0.000 0.954 77 Q CA 0.854 56.681 55.803 0.039 0.000 0.885 77 Q CB 0.295 29.059 28.738 0.042 0.000 0.963 77 Q HN 0.691 nan 8.270 nan 0.000 0.471 78 L N 0.067 121.313 121.223 0.038 0.000 2.381 78 L HA 0.601 4.941 4.340 0.000 0.000 0.274 78 L C -1.222 175.667 176.870 0.031 0.000 0.988 78 L CA -0.708 54.152 54.840 0.033 0.000 0.824 78 L CB 1.673 43.751 42.059 0.031 0.000 1.263 78 L HN -0.077 nan 8.230 nan 0.000 0.410 79 A N 4.374 127.212 122.820 0.029 0.000 2.340 79 A HA 0.629 4.949 4.320 0.000 0.000 0.268 79 A C -1.066 176.532 177.584 0.024 0.000 1.100 79 A CA -0.360 51.694 52.037 0.027 0.000 0.803 79 A CB 0.666 19.682 19.000 0.026 0.000 1.043 79 A HN 0.769 nan 8.150 nan 0.000 0.488 80 L N 2.058 123.293 121.223 0.021 0.000 2.343 80 L HA 0.504 4.844 4.340 0.000 0.000 0.278 80 L C -0.382 176.498 176.870 0.016 0.000 0.996 80 L CA -0.029 54.820 54.840 0.016 0.000 0.831 80 L CB 1.208 43.272 42.059 0.007 0.000 1.232 80 L HN 0.673 nan 8.230 nan 0.000 0.413 81 N N 3.605 122.315 118.700 0.017 0.000 2.299 81 N HA 0.244 4.984 4.740 0.000 0.000 0.246 81 N C -1.113 174.404 175.510 0.011 0.000 1.254 81 N CA -0.032 53.026 53.050 0.013 0.000 0.879 81 N CB 0.585 39.080 38.487 0.013 0.000 1.214 81 N HN 0.469 nan 8.380 nan 0.000 0.510 82 C N 0.303 119.613 119.300 0.015 0.000 2.779 82 C HA 0.479 4.939 4.460 0.000 0.000 0.314 82 C C 0.494 175.503 174.990 0.032 0.000 1.231 82 C CA -0.981 58.049 59.018 0.020 0.000 1.652 82 C CB 2.096 29.855 27.740 0.032 0.000 2.198 82 C HN 0.194 nan 8.230 nan 0.000 0.483 83 R N 1.057 121.585 120.500 0.047 0.000 2.340 83 R HA 0.580 4.920 4.340 0.000 0.000 0.300 83 R C -0.952 175.466 176.300 0.197 0.000 1.069 83 R CA -0.348 55.812 56.100 0.098 0.000 0.984 83 R CB 0.692 31.018 30.300 0.044 0.000 1.003 83 R HN 0.480 nan 8.270 nan 0.000 0.459 84 L N 4.389 125.678 121.223 0.110 0.000 2.385 84 L HA 0.475 4.815 4.340 0.000 0.000 0.273 84 L C -1.849 174.856 176.870 -0.276 0.000 0.990 84 L CA -0.882 53.938 54.840 -0.034 0.000 0.821 84 L CB 1.816 43.830 42.059 -0.075 0.000 1.279 84 L HN 0.460 nan 8.230 nan 0.000 0.412 85 L N 6.208 127.075 121.223 -0.592 0.000 2.372 85 L HA 0.754 5.094 4.340 0.000 0.000 0.274 85 L C -1.121 175.428 176.870 -0.536 0.000 0.988 85 L CA -0.173 54.200 54.840 -0.779 0.000 0.833 85 L CB 1.686 42.813 42.059 -1.553 0.000 1.236 85 L HN 0.487 nan 8.230 nan 0.000 0.410 89 A N 1.661 124.588 122.820 0.179 0.000 1.844 89 A HA -0.182 4.138 4.320 0.000 0.000 0.214 89 A C 1.273 178.922 177.584 0.107 0.000 1.217 89 A CA 1.608 53.720 52.037 0.125 0.000 0.644 89 A CB -0.407 18.659 19.000 0.111 0.000 0.850 89 A HN 0.582 nan 8.150 nan 0.000 0.456 90 N N 1.037 119.800 118.700 0.104 0.000 2.663 90 N HA 0.273 5.014 4.740 0.000 0.000 0.250 90 N C 0.832 176.404 175.510 0.105 0.000 1.129 90 N CA 0.019 53.122 53.050 0.089 0.000 0.995 90 N CB 0.266 38.815 38.487 0.104 0.000 1.324 90 N HN 0.437 nan 8.380 nan 0.000 0.512 91 L N 1.049 122.328 121.223 0.094 0.000 2.012 91 L HA -0.192 4.148 4.340 0.000 0.000 0.210 91 L C 1.511 178.419 176.870 0.064 0.000 1.073 91 L CA 1.127 56.019 54.840 0.087 0.000 0.748 91 L CB -0.140 41.956 42.059 0.061 0.000 0.891 91 L HN 0.355 nan 8.230 nan 0.000 0.431 92 D N 0.129 120.559 120.400 0.049 0.000 2.117 92 D HA -0.153 4.487 4.640 0.000 0.000 0.197 92 D C 2.211 178.543 176.300 0.055 0.000 0.987 92 D CA 1.556 55.581 54.000 0.041 0.000 0.829 92 D CB 0.031 40.851 40.800 0.033 0.000 0.961 92 D HN 0.343 nan 8.370 nan 0.000 0.460 93 A N 0.736 123.599 122.820 0.072 0.000 1.930 93 A HA -0.100 4.221 4.320 0.000 0.000 0.217 93 A C 2.366 179.995 177.584 0.076 0.000 1.175 93 A CA 0.707 52.788 52.037 0.074 0.000 0.627 93 A CB -0.595 18.468 19.000 0.106 0.000 0.815 93 A HN 0.168 nan 8.150 nan 0.000 0.443 94 I N -0.907 119.725 120.570 0.103 0.000 2.252 94 I HA -0.242 3.928 4.170 0.000 0.000 0.245 94 I C 2.720 178.941 176.117 0.173 0.000 1.102 94 I CA 1.179 62.567 61.300 0.146 0.000 1.385 94 I CB -0.312 37.806 38.000 0.197 0.000 1.064 94 I HN 0.270 nan 8.210 nan 0.000 0.414 95 R N 0.413 120.979 120.500 0.111 0.000 2.115 95 R HA -0.148 4.192 4.340 0.000 0.000 0.230 95 R C 2.049 178.393 176.300 0.073 0.000 1.111 95 R CA 1.159 57.307 56.100 0.081 0.000 0.976 95 R CB -0.185 30.134 30.300 0.032 0.000 0.870 95 R HN 0.521 nan 8.270 nan 0.000 0.445 96 Q N -0.920 118.915 119.800 0.059 0.000 2.408 96 Q HA 0.107 4.447 4.340 0.000 0.000 0.205 96 Q C 0.664 176.685 176.000 0.036 0.000 0.919 96 Q CA 0.462 56.288 55.803 0.038 0.000 0.932 96 Q CB 0.978 29.728 28.738 0.020 0.000 1.058 96 Q HN 0.506 nan 8.270 nan 0.000 0.517 97 G N 1.483 110.311 108.800 0.048 0.000 2.198 97 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 97 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 97 G C 0.091 174.975 174.900 -0.026 0.000 1.042 97 G CA 0.353 45.462 45.100 0.014 0.000 0.791 97 G HN 0.327 nan 8.290 nan 0.000 0.502 98 V N -4.347 115.551 119.914 -0.027 0.000 3.046 98 V HA 0.745 4.865 4.120 0.000 0.000 0.316 98 V C 1.557 177.608 176.094 -0.072 0.000 1.104 98 V CA -0.784 61.470 62.300 -0.076 0.000 1.006 98 V CB 1.589 33.351 31.823 -0.102 0.000 1.058 98 V HN 0.061 nan 8.190 nan 0.000 0.440 99 R N 0.791 121.192 120.500 -0.164 0.000 2.094 99 R HA -0.008 4.332 4.340 0.000 0.000 0.239 99 R C 0.132 176.461 176.300 0.047 0.000 1.137 99 R CA 2.428 58.445 56.100 -0.139 0.000 0.943 99 R CB -0.403 29.681 30.300 -0.359 0.000 0.850 99 R HN 0.929 nan 8.270 nan 0.000 0.433 100 Y N -5.493 114.811 120.300 0.008 0.000 2.713 100 Y HA 0.517 5.067 4.550 0.000 0.000 0.335 100 Y C 0.658 176.566 175.900 0.014 0.000 1.222 100 Y CA -0.670 57.452 58.100 0.035 0.000 1.061 100 Y CB 0.479 38.968 38.460 0.047 0.000 1.314 100 Y HN -0.057 nan 8.280 nan 0.000 0.453 101 G N 0.553 109.523 108.800 0.284 0.000 2.518 101 G HA2 -0.031 3.929 3.960 0.000 0.000 0.213 101 G HA3 -0.031 3.929 3.960 0.000 0.000 0.213 101 G C 0.509 175.562 174.900 0.255 0.000 1.226 101 G CA 0.599 45.806 45.100 0.178 0.000 0.822 101 G HN 0.615 nan 8.290 nan 0.000 0.546 102 N N -1.779 117.074 118.700 0.254 0.000 2.273 102 N HA 0.190 4.930 4.740 0.000 0.000 0.192 102 N C -1.026 174.586 175.510 0.170 0.000 1.132 102 N CA 0.028 53.202 53.050 0.207 0.000 0.887 102 N CB 1.358 39.922 38.487 0.127 0.000 1.048 102 N HN 0.350 nan 8.380 nan 0.000 0.490 103 Y N 0.675 120.882 120.300 -0.155 0.000 2.521 103 Y HA 0.159 4.709 4.550 0.000 0.000 0.328 103 Y C -0.859 174.573 175.900 -0.780 0.000 1.151 103 Y CA -1.299 56.460 58.100 -0.569 0.000 1.054 103 Y CB 1.314 39.542 38.460 -0.386 0.000 1.338 103 Y HN -0.205 nan 8.280 nan 0.000 0.453 107 R N -0.269 120.347 120.500 0.193 0.000 2.531 107 R HA 0.487 4.827 4.340 0.000 0.000 0.316 107 R C 0.792 177.147 176.300 0.091 0.000 0.955 107 R CA 0.156 56.354 56.100 0.165 0.000 1.120 107 R CB 0.316 30.721 30.300 0.175 0.000 1.361 107 R HN 0.170 nan 8.270 nan 0.000 0.534 108 L N -0.432 120.767 121.223 -0.040 0.000 2.693 108 L HA 0.395 4.735 4.340 0.000 0.000 0.235 108 L C -0.126 176.638 176.870 -0.176 0.000 1.127 108 L CA -0.138 54.586 54.840 -0.193 0.000 0.914 108 L CB 0.145 42.005 42.059 -0.332 0.000 1.193 108 L HN -0.014 nan 8.230 nan 0.000 0.502 109 F N 0.054 120.028 119.950 0.040 0.000 2.234 109 F HA 0.138 4.665 4.527 0.000 0.000 0.292 109 F C 1.710 177.569 175.800 0.098 0.000 1.187 109 F CA -0.054 57.973 58.000 0.044 0.000 1.128 109 F CB -0.091 38.973 39.000 0.107 0.000 1.507 109 F HN 0.056 nan 8.300 nan 0.000 0.512 110 N N -0.264 118.701 118.700 0.441 0.000 2.714 110 N HA -0.251 4.489 4.740 0.000 0.000 0.250 110 N C 0.801 176.430 175.510 0.199 0.000 1.117 110 N CA 0.348 53.673 53.050 0.459 0.000 0.719 110 N CB -0.994 37.788 38.487 0.492 0.000 1.081 110 N HN 1.100 nan 8.380 nan 0.000 0.557 111 G N -1.566 107.225 108.800 -0.014 0.000 2.225 111 G HA2 -0.327 3.633 3.960 0.000 0.000 0.254 111 G HA3 -0.327 3.633 3.960 0.000 0.000 0.254 111 G C 0.921 175.474 174.900 -0.578 0.000 0.988 111 G CA 1.089 45.963 45.100 -0.377 0.000 0.625 111 G HN 1.043 nan 8.290 nan 0.000 0.527 112 A N 0.930 123.590 122.820 -0.265 0.000 2.032 112 A HA 0.021 4.341 4.320 0.000 0.000 0.221 112 A C 1.851 179.301 177.584 -0.223 0.000 1.165 112 A CA 2.383 54.316 52.037 -0.172 0.000 0.645 112 A CB -0.922 18.054 19.000 -0.039 0.000 0.807 112 A HN 1.549 nan 8.150 nan 0.000 0.453 113 H N -1.345 117.654 119.070 -0.117 0.000 2.460 113 H HA 0.128 4.684 4.556 0.000 0.000 0.297 113 H C 1.794 177.069 175.328 -0.088 0.000 1.103 113 H CA 1.245 57.201 56.048 -0.154 0.000 1.292 113 H CB -0.794 28.828 29.762 -0.233 0.000 1.376 113 H HN 0.374 nan 8.280 nan 0.000 0.531 114 A N 1.207 123.853 122.820 -0.289 0.000 2.070 114 A HA -0.111 4.209 4.320 0.000 0.000 0.220 114 A C 2.265 179.780 177.584 -0.115 0.000 1.159 114 A CA 1.284 53.249 52.037 -0.121 0.000 0.656 114 A CB -0.442 18.454 19.000 -0.173 0.000 0.800 114 A HN 0.471 nan 8.150 nan 0.000 0.453 115 R N -1.388 119.025 120.500 -0.144 0.000 2.299 115 R HA 0.030 4.370 4.340 0.000 0.000 0.197 115 R C -0.319 175.635 176.300 -0.578 0.000 0.971 115 R CA 0.712 56.636 56.100 -0.292 0.000 1.030 115 R CB -0.002 30.131 30.300 -0.278 0.000 0.932 115 R HN 0.687 nan 8.270 nan 0.000 0.477 116 H N -1.112 117.859 119.070 -0.166 0.000 2.712 116 H HA 0.134 4.690 4.556 0.000 0.000 0.226 116 H C -2.009 173.246 175.328 -0.122 0.000 1.422 116 H CA -1.498 54.446 56.048 -0.173 0.000 1.270 116 H CB 0.838 30.410 29.762 -0.317 0.000 1.891 116 H HN -0.005 nan 8.280 nan 0.000 0.518 117 P HA -0.175 nan 4.420 nan 0.000 0.231 117 P C 0.908 178.199 177.300 -0.015 0.000 1.158 117 P CA 1.073 64.168 63.100 -0.008 0.000 0.763 117 P CB 0.622 32.313 31.700 -0.015 0.000 0.805 118 E N 0.115 120.309 120.200 -0.009 0.000 2.276 118 E HA 0.015 4.365 4.350 0.000 0.000 0.193 118 E C 0.872 177.467 176.600 -0.008 0.000 0.983 118 E CA 0.040 56.435 56.400 -0.008 0.000 0.861 118 E CB -0.770 28.929 29.700 -0.002 0.000 0.817 118 E HN 0.298 nan 8.360 nan 0.000 0.485 119 L N 2.655 123.872 121.223 -0.010 0.000 2.410 119 L HA 0.119 4.459 4.340 0.000 0.000 0.273 119 L C -1.545 175.299 176.870 -0.042 0.000 1.144 119 L CA -1.420 53.407 54.840 -0.022 0.000 0.863 119 L CB 0.407 42.435 42.059 -0.051 0.000 1.140 119 L HN -0.153 nan 8.230 nan 0.000 0.463 120 P HA -0.160 nan 4.420 nan 0.000 0.218 120 P C 0.960 178.221 177.300 -0.066 0.000 1.148 120 P CA 1.184 64.260 63.100 -0.040 0.000 0.822 120 P CB 0.279 31.968 31.700 -0.018 0.000 0.784 121 E N -1.004 119.158 120.200 -0.063 0.000 2.204 121 E HA -0.078 4.273 4.350 0.000 0.000 0.194 121 E C 1.910 178.398 176.600 -0.187 0.000 0.989 121 E CA 0.901 57.241 56.400 -0.099 0.000 0.824 121 E CB -0.279 29.389 29.700 -0.053 0.000 0.756 121 E HN 0.226 nan 8.360 nan 0.000 0.477 122 S N 0.255 115.853 115.700 -0.170 0.000 2.371 122 S HA -0.100 4.370 4.470 0.000 0.000 0.224 122 S C 2.199 176.655 174.600 -0.239 0.000 1.029 122 S CA 0.680 58.768 58.200 -0.186 0.000 0.978 122 S CB -0.042 63.101 63.200 -0.094 0.000 0.833 122 S HN 0.060 nan 8.310 nan 0.000 0.466 123 V N 2.336 122.144 119.914 -0.177 0.000 2.332 123 V HA -0.192 3.928 4.120 0.000 0.000 0.248 123 V C 2.546 178.503 176.094 -0.228 0.000 1.055 123 V CA 1.965 64.155 62.300 -0.183 0.000 1.038 123 V CB -0.658 31.099 31.823 -0.110 0.000 0.651 123 V HN 0.288 nan 8.190 nan 0.000 0.450 124 R N 1.221 121.600 120.500 -0.202 0.000 2.073 124 R HA -0.081 4.259 4.340 0.000 0.000 0.234 124 R C 2.180 178.304 176.300 -0.294 0.000 1.134 124 R CA 2.009 57.995 56.100 -0.191 0.000 0.952 124 R CB -1.114 29.104 30.300 -0.137 0.000 0.850 124 R HN 0.423 nan 8.270 nan 0.000 0.433 125 A N 0.218 122.773 122.820 -0.441 0.000 1.940 125 A HA -0.050 4.270 4.320 0.000 0.000 0.219 125 A C 2.367 179.573 177.584 -0.629 0.000 1.176 125 A CA 1.874 53.488 52.037 -0.704 0.000 0.631 125 A CB -1.020 17.391 19.000 -0.981 0.000 0.814 125 A HN 0.511 nan 8.150 nan 0.000 0.446 126 A N -0.345 122.022 122.820 -0.756 0.000 1.898 126 A HA -0.148 4.172 4.320 0.000 0.000 0.216 126 A C 2.040 179.384 177.584 -0.400 0.000 1.181 126 A CA 1.710 53.228 52.037 -0.865 0.000 0.620 126 A CB -0.514 17.931 19.000 -0.925 0.000 0.819 126 A HN 0.684 nan 8.150 nan 0.000 0.442 127 E N 0.018 120.048 120.200 -0.283 0.000 2.110 127 E HA -0.156 4.194 4.350 0.000 0.000 0.193 127 E C 1.858 178.396 176.600 -0.103 0.000 0.988 127 E CA 1.098 57.408 56.400 -0.149 0.000 0.804 127 E CB -0.219 29.415 29.700 -0.111 0.000 0.745 127 E HN 0.627 nan 8.360 nan 0.000 0.458 128 L N 0.605 121.747 121.223 -0.135 0.000 2.141 128 L HA -0.123 4.217 4.340 0.000 0.000 0.209 128 L C 2.435 179.309 176.870 0.006 0.000 1.094 128 L CA 1.073 55.873 54.840 -0.067 0.000 0.763 128 L CB -0.383 41.589 42.059 -0.144 0.000 0.908 128 L HN 0.177 nan 8.230 nan 0.000 0.437 129 E N -0.226 119.893 120.200 -0.135 0.000 2.077 129 E HA -0.174 4.176 4.350 0.000 0.000 0.193 129 E C 2.115 178.793 176.600 0.131 0.000 0.989 129 E CA 1.798 58.064 56.400 -0.224 0.000 0.800 129 E CB -0.117 29.109 29.700 -0.789 0.000 0.746 129 E HN 0.450 nan 8.360 nan 0.000 0.452 130 T N 1.754 116.335 114.554 0.046 0.000 2.777 130 T HA -0.102 4.248 4.350 0.000 0.000 0.266 130 T C 2.035 176.829 174.700 0.157 0.000 1.040 130 T CA 0.711 62.884 62.100 0.121 0.000 1.141 130 T CB -0.211 68.687 68.868 0.050 0.000 0.868 130 T HN 0.062 nan 8.240 nan 0.000 0.444 131 L N 0.786 122.074 121.223 0.109 0.000 2.012 131 L HA -0.154 4.186 4.340 0.000 0.000 0.210 131 L C 3.071 180.026 176.870 0.142 0.000 1.073 131 L CA 1.439 56.336 54.840 0.094 0.000 0.748 131 L CB -0.704 41.378 42.059 0.038 0.000 0.891 131 L HN 0.259 nan 8.230 nan 0.000 0.431 132 A N -0.154 122.797 122.820 0.219 0.000 1.877 132 A HA -0.206 4.114 4.320 0.000 0.000 0.216 132 A C 2.523 180.329 177.584 0.369 0.000 1.186 132 A CA 1.847 54.037 52.037 0.255 0.000 0.620 132 A CB -0.815 18.454 19.000 0.448 0.000 0.822 132 A HN 0.429 nan 8.150 nan 0.000 0.443 133 A N -0.171 122.921 122.820 0.454 0.000 1.883 133 A HA -0.217 4.103 4.320 0.000 0.000 0.217 133 A C 1.933 179.693 177.584 0.293 0.000 1.186 133 A CA 1.807 54.112 52.037 0.447 0.000 0.624 133 A CB -0.591 18.742 19.000 0.556 0.000 0.822 133 A HN 0.657 nan 8.150 nan 0.000 0.444 134 E N -1.602 118.734 120.200 0.226 0.000 2.106 134 E HA -0.127 4.223 4.350 0.000 0.000 0.192 134 E C 1.756 178.426 176.600 0.116 0.000 0.984 134 E CA 1.085 57.573 56.400 0.147 0.000 0.806 134 E CB -0.253 29.519 29.700 0.119 0.000 0.750 134 E HN 0.692 nan 8.360 nan 0.000 0.458 135 F N 0.775 120.685 119.950 -0.067 0.000 2.075 135 F HA -0.200 4.327 4.527 0.000 0.000 0.297 135 F C 1.720 177.399 175.800 -0.202 0.000 1.113 135 F CA 1.367 59.240 58.000 -0.212 0.000 1.218 135 F CB -0.230 38.518 39.000 -0.419 0.000 0.984 135 F HN -0.093 nan 8.300 nan 0.000 0.472 136 F N 0.482 120.394 119.950 -0.062 0.000 2.407 136 F HA 0.074 4.601 4.527 0.000 0.000 0.299 136 F C 2.468 178.157 175.800 -0.185 0.000 1.097 136 F CA 0.734 58.605 58.000 -0.215 0.000 1.422 136 F CB -1.414 37.535 39.000 -0.086 0.000 1.067 136 F HN 0.091 nan 8.300 nan 0.000 0.539 137 A N -0.168 122.685 122.820 0.055 0.000 2.014 137 A HA 0.053 4.373 4.320 0.000 0.000 0.218 137 A C 2.472 180.025 177.584 -0.052 0.000 1.163 137 A CA 1.451 53.491 52.037 0.005 0.000 0.652 137 A CB -1.259 17.758 19.000 0.030 0.000 0.808 137 A HN 0.351 nan 8.150 nan 0.000 0.449 138 G N -0.915 107.822 108.800 -0.105 0.000 2.985 138 G HA2 0.396 4.356 3.960 0.000 0.000 0.209 138 G HA3 0.396 4.356 3.960 0.000 0.000 0.209 138 G C 0.614 175.411 174.900 -0.172 0.000 1.165 138 G CA 0.543 45.566 45.100 -0.129 0.000 0.776 138 G HN 0.729 nan 8.290 nan 0.000 0.541 139 A N 0.301 123.003 122.820 -0.196 0.000 2.401 139 A HA 0.646 4.966 4.320 0.000 0.000 0.259 139 A C 1.138 178.655 177.584 -0.111 0.000 1.103 139 A CA -0.339 51.590 52.037 -0.181 0.000 0.789 139 A CB 0.569 19.485 19.000 -0.139 0.000 1.035 139 A HN 0.162 nan 8.150 nan 0.000 0.491 140 R N 0.744 121.184 120.500 -0.099 0.000 2.509 140 R HA 0.364 4.704 4.340 0.000 0.000 0.297 140 R C 0.527 176.786 176.300 -0.069 0.000 0.951 140 R CA 0.900 56.954 56.100 -0.076 0.000 1.103 140 R CB 0.261 30.522 30.300 -0.066 0.000 1.283 140 R HN 0.795 nan 8.270 nan 0.000 0.534 141 A N 0.705 123.481 122.820 -0.073 0.000 3.822 141 A HA 0.581 4.901 4.320 0.000 0.000 0.181 141 A C -0.384 177.159 177.584 -0.069 0.000 0.902 141 A CA -0.555 51.444 52.037 -0.064 0.000 0.825 141 A CB 0.541 19.508 19.000 -0.054 0.000 1.447 141 A HN 0.014 nan 8.150 nan 0.000 0.732 142 R N 0.400 120.863 120.500 -0.063 0.000 2.679 142 R HA 0.234 4.574 4.340 0.000 0.000 0.268 142 R C -0.842 175.423 176.300 -0.058 0.000 1.044 142 R CA 0.489 56.546 56.100 -0.071 0.000 1.105 142 R CB 0.184 30.442 30.300 -0.070 0.000 0.989 142 R HN 0.403 nan 8.270 nan 0.000 0.447 143 K N 3.917 124.259 120.400 -0.096 0.000 2.507 143 K HA 0.358 4.679 4.320 0.000 0.000 0.253 143 K C -0.866 175.624 176.600 -0.183 0.000 0.969 143 K CA -0.324 55.907 56.287 -0.093 0.000 0.908 143 K CB 1.139 33.450 32.500 -0.315 0.000 1.127 143 K HN 0.310 nan 8.250 nan 0.000 0.437 144 L N 2.344 123.556 121.223 -0.018 0.000 2.365 144 L HA 0.488 4.828 4.340 0.000 0.000 0.273 144 L C -0.427 176.372 176.870 -0.119 0.000 1.000 144 L CA -0.937 53.778 54.840 -0.209 0.000 0.819 144 L CB 1.854 43.742 42.059 -0.285 0.000 1.284 144 L HN 0.628 nan 8.230 nan 0.000 0.418 145 H N 2.623 121.384 119.070 -0.514 0.000 2.924 145 H HA 0.409 4.965 4.556 0.000 0.000 0.333 145 H C -1.849 173.206 175.328 -0.455 0.000 0.979 145 H CA -0.626 55.210 56.048 -0.354 0.000 1.326 145 H CB 1.521 31.155 29.762 -0.213 0.000 1.600 145 H HN 0.481 nan 8.280 nan 0.000 0.520 146 Y N 3.258 123.654 120.300 0.160 0.000 2.345 146 Y HA 0.146 4.696 4.550 0.000 0.000 0.331 146 Y C -0.228 175.674 175.900 0.004 0.000 0.959 146 Y CA -1.172 56.959 58.100 0.052 0.000 1.204 146 Y CB 1.289 39.852 38.460 0.172 0.000 1.135 146 Y HN 0.640 nan 8.280 nan 0.000 0.477 147 D N 4.053 124.440 120.400 -0.023 0.000 2.359 147 D HA 0.336 4.976 4.640 0.000 0.000 0.230 147 D C -0.915 175.572 176.300 0.312 0.000 1.118 147 D CA -0.187 53.895 54.000 0.137 0.000 0.844 147 D CB 0.663 41.517 40.800 0.090 0.000 1.059 147 D HN 0.480 nan 8.370 nan 0.000 0.493 148 L N 4.903 126.283 121.223 0.263 0.000 2.265 148 L HA 0.428 4.768 4.340 0.000 0.000 0.288 148 L C 0.540 177.520 176.870 0.183 0.000 1.058 148 L CA -0.529 54.453 54.840 0.236 0.000 0.809 148 L CB 0.828 42.968 42.059 0.134 0.000 1.179 148 L HN 0.383 nan 8.230 nan 0.000 0.429 149 H N 1.117 120.228 119.070 0.069 0.000 2.907 149 H HA 0.672 5.228 4.556 0.000 0.000 0.361 149 H C -0.610 174.772 175.328 0.090 0.000 1.194 149 H CA -0.726 55.370 56.048 0.079 0.000 1.152 149 H CB 2.646 32.459 29.762 0.085 0.000 1.867 149 H HN 0.636 nan 8.280 nan 0.000 0.561 150 T N -1.413 113.282 114.554 0.236 0.000 2.778 150 T HA 0.810 5.160 4.350 0.000 0.000 0.293 150 T C -0.865 173.956 174.700 0.201 0.000 1.144 150 T CA -0.957 61.264 62.100 0.203 0.000 1.010 150 T CB 2.168 71.139 68.868 0.171 0.000 1.325 150 T HN 0.788 nan 8.240 nan 0.000 0.515 151 A N -0.231 122.697 122.820 0.180 0.000 2.594 151 A HA 0.759 5.079 4.320 0.000 0.000 0.295 151 A C 0.501 178.163 177.584 0.131 0.000 1.071 151 A CA -0.994 51.145 52.037 0.170 0.000 0.685 151 A CB 0.746 19.884 19.000 0.230 0.000 1.285 151 A HN 0.837 nan 8.150 nan 0.000 0.405 152 I N 0.205 120.834 120.570 0.097 0.000 2.277 152 I HA 0.020 4.190 4.170 0.000 0.000 0.243 152 I C 1.583 177.747 176.117 0.078 0.000 1.094 152 I CA 0.650 61.990 61.300 0.067 0.000 1.393 152 I CB -0.071 37.949 38.000 0.033 0.000 1.078 152 I HN 0.706 nan 8.210 nan 0.000 0.417 153 R N 2.097 122.654 120.500 0.094 0.000 2.522 153 R HA 0.143 4.484 4.340 0.000 0.000 0.284 153 R C 0.366 176.734 176.300 0.114 0.000 1.032 153 R CA 0.196 56.351 56.100 0.092 0.000 1.049 153 R CB 0.459 30.822 30.300 0.105 0.000 0.956 153 R HN 0.239 nan 8.270 nan 0.000 0.422 154 G N 1.235 110.082 108.800 0.078 0.000 2.653 154 G HA2 0.215 4.175 3.960 0.000 0.000 0.265 154 G HA3 0.215 4.175 3.960 0.000 0.000 0.265 154 G C -0.905 174.053 174.900 0.096 0.000 1.237 154 G CA -0.320 44.828 45.100 0.080 0.000 0.946 154 G HN 0.560 nan 8.290 nan 0.000 0.522 155 S N -2.095 113.662 115.700 0.094 0.000 2.533 155 S HA 0.274 4.744 4.470 0.000 0.000 0.271 155 S C 0.817 175.415 174.600 -0.003 0.000 1.143 155 S CA -0.459 57.802 58.200 0.101 0.000 0.891 155 S CB 1.658 65.033 63.200 0.293 0.000 1.105 155 S HN 0.448 nan 8.310 nan 0.000 0.468 156 V N 2.949 122.788 119.914 -0.125 0.000 2.407 156 V HA 0.030 4.150 4.120 0.000 0.000 0.248 156 V C 0.346 176.128 176.094 -0.520 0.000 1.055 156 V CA 1.538 63.605 62.300 -0.388 0.000 1.049 156 V CB -0.597 30.847 31.823 -0.631 0.000 0.662 156 V HN 0.734 nan 8.190 nan 0.000 0.455 157 F N 0.290 120.169 119.950 -0.119 0.000 2.291 157 F HA 0.313 4.840 4.527 0.000 0.000 0.368 157 F C 1.352 177.206 175.800 0.089 0.000 1.085 157 F CA -0.332 57.589 58.000 -0.132 0.000 1.165 157 F CB 0.489 39.234 39.000 -0.425 0.000 1.429 157 F HN -0.000 nan 8.300 nan 0.000 0.503 158 E N 2.649 122.961 120.200 0.187 0.000 2.108 158 E HA -0.217 4.133 4.350 0.000 0.000 0.203 158 E C 0.052 176.805 176.600 0.256 0.000 1.022 158 E CA 1.431 57.942 56.400 0.186 0.000 0.823 158 E CB 0.290 30.028 29.700 0.063 0.000 0.744 158 E HN 0.492 nan 8.360 nan 0.000 0.456 159 K N -0.028 120.503 120.400 0.219 0.000 2.358 159 K HA 0.351 4.672 4.320 0.000 0.000 0.260 159 K C -0.881 175.880 176.600 0.267 0.000 0.956 159 K CA -0.540 55.838 56.287 0.152 0.000 0.834 159 K CB 1.380 33.892 32.500 0.021 0.000 1.102 159 K HN 0.032 nan 8.250 nan 0.000 0.431 160 F N -0.441 119.572 119.950 0.105 0.000 2.662 160 F HA 0.817 5.344 4.527 0.000 0.000 0.312 160 F C -1.406 174.481 175.800 0.146 0.000 1.113 160 F CA -1.336 56.719 58.000 0.092 0.000 0.951 160 F CB 1.188 40.262 39.000 0.123 0.000 1.344 160 F HN 0.434 nan 8.300 nan 0.000 0.462 161 A N 1.846 124.838 122.820 0.286 0.000 2.356 161 A HA 0.871 5.191 4.320 0.000 0.000 0.323 161 A C -1.270 176.575 177.584 0.435 0.000 1.119 161 A CA -0.946 51.236 52.037 0.242 0.000 0.790 161 A CB 1.225 20.324 19.000 0.166 0.000 1.273 161 A HN 0.777 nan 8.150 nan 0.000 0.452 162 I N 1.572 122.393 120.570 0.418 0.000 2.382 162 I HA 0.229 4.399 4.170 0.000 0.000 0.286 162 I C -1.096 175.374 176.117 0.587 0.000 1.002 162 I CA -0.143 61.455 61.300 0.497 0.000 1.135 162 I CB 1.271 39.512 38.000 0.400 0.000 1.288 162 I HN 0.751 nan 8.210 nan 0.000 0.448 163 Y N 8.270 128.853 120.300 0.472 0.000 2.417 163 Y HA 0.397 4.947 4.550 0.000 0.000 0.336 163 Y C -2.217 173.818 175.900 0.225 0.000 0.961 163 Y CA -2.630 55.719 58.100 0.415 0.000 1.215 163 Y CB 1.710 40.467 38.460 0.496 0.000 1.120 163 Y HN 0.389 nan 8.280 nan 0.000 0.499 164 P HA -0.018 nan 4.420 nan 0.000 0.264 164 P C -0.884 176.303 177.300 -0.187 0.000 1.537 164 P CA 0.422 63.435 63.100 -0.146 0.000 1.189 164 P CB -0.657 31.100 31.700 0.094 0.000 1.687 165 F N 4.451 124.078 119.950 -0.539 0.000 2.471 165 F HA 0.226 4.753 4.527 0.000 0.000 0.365 165 F C 0.145 175.752 175.800 -0.322 0.000 1.095 165 F CA 0.288 57.939 58.000 -0.582 0.000 1.174 165 F CB 0.112 38.777 39.000 -0.559 0.000 1.105 165 F HN 0.090 nan 8.300 nan 0.000 0.535 166 L N 5.059 126.009 121.223 -0.454 0.000 2.354 166 L HA 0.392 4.732 4.340 0.000 0.000 0.264 166 L C -0.356 176.336 176.870 -0.297 0.000 1.008 166 L CA -1.290 53.352 54.840 -0.328 0.000 0.819 166 L CB 1.707 43.587 42.059 -0.297 0.000 1.339 166 L HN 0.474 nan 8.230 nan 0.000 0.420 167 H N 1.515 120.487 119.070 -0.163 0.000 2.756 167 H HA -0.198 4.359 4.556 0.000 0.000 0.315 167 H C 0.259 175.496 175.328 -0.152 0.000 1.210 167 H CA 0.919 56.885 56.048 -0.136 0.000 1.150 167 H CB -1.162 28.516 29.762 -0.141 0.000 1.463 167 H HN 0.838 nan 8.280 nan 0.000 0.427 168 D N -0.507 119.872 120.400 -0.036 0.000 3.018 168 D HA -0.199 4.441 4.640 0.000 0.000 0.224 168 D C 1.236 177.489 176.300 -0.080 0.000 1.185 168 D CA 2.423 56.438 54.000 0.025 0.000 0.858 168 D CB -1.188 39.645 40.800 0.056 0.000 1.112 168 D HN 1.109 nan 8.370 nan 0.000 0.415 169 G N -0.084 108.425 108.800 -0.486 0.000 2.198 169 G HA2 -0.393 3.567 3.960 0.000 0.000 0.257 169 G HA3 -0.393 3.567 3.960 0.000 0.000 0.257 169 G C 1.039 175.856 174.900 -0.138 0.000 1.042 169 G CA 0.706 45.438 45.100 -0.615 0.000 0.791 169 G HN 0.528 nan 8.290 nan 0.000 0.502 170 R N -0.886 119.554 120.500 -0.100 0.000 2.148 170 R HA 0.044 4.385 4.340 0.000 0.000 0.227 170 R C 2.299 178.571 176.300 -0.046 0.000 1.103 170 R CA 1.514 57.586 56.100 -0.048 0.000 0.983 170 R CB -0.011 30.250 30.300 -0.066 0.000 0.874 170 R HN 0.340 nan 8.270 nan 0.000 0.451 171 T N -0.433 114.083 114.554 -0.063 0.000 3.215 171 T HA 0.026 4.376 4.350 0.000 0.000 0.271 171 T C -0.553 174.150 174.700 0.005 0.000 1.012 171 T CA -0.491 61.578 62.100 -0.050 0.000 0.899 171 T CB -0.230 68.588 68.868 -0.084 0.000 1.089 171 T HN 0.181 nan 8.240 nan 0.000 0.552 172 H N 1.911 120.942 119.070 -0.066 0.000 2.732 172 H HA 0.476 5.032 4.556 0.000 0.000 0.351 172 H C -0.590 174.805 175.328 0.113 0.000 1.090 172 H CA 0.304 56.380 56.048 0.047 0.000 1.431 172 H CB 0.569 30.361 29.762 0.049 0.000 1.447 172 H HN 0.019 nan 8.280 nan 0.000 0.582 173 K N 3.807 123.946 120.400 -0.435 0.000 2.483 173 K HA 0.180 4.500 4.320 0.000 0.000 0.256 173 K C 0.807 177.123 176.600 -0.474 0.000 0.961 173 K CA -0.589 55.483 56.287 -0.359 0.000 0.873 173 K CB 1.026 33.471 32.500 -0.092 0.000 1.107 173 K HN 0.733 nan 8.250 nan 0.000 0.432 174 R N 2.697 122.956 120.500 -0.402 0.000 2.148 174 R HA -0.115 4.225 4.340 0.000 0.000 0.227 174 R C 1.085 177.388 176.300 0.004 0.000 1.103 174 R CA 1.448 57.493 56.100 -0.092 0.000 0.983 174 R CB -0.073 30.246 30.300 0.032 0.000 0.874 174 R HN 0.597 nan 8.270 nan 0.000 0.451 175 E N 0.981 121.170 120.200 -0.019 0.000 2.160 175 E HA -0.242 4.108 4.350 0.000 0.000 0.195 175 E C 1.428 178.071 176.600 0.071 0.000 0.991 175 E CA 0.968 57.386 56.400 0.029 0.000 0.810 175 E CB -0.333 29.374 29.700 0.011 0.000 0.742 175 E HN 0.464 nan 8.360 nan 0.000 0.466 176 Q N 0.264 120.093 119.800 0.048 0.000 2.119 176 Q HA -0.034 4.306 4.340 0.000 0.000 0.201 176 Q C 2.280 178.294 176.000 0.023 0.000 0.972 176 Q CA 0.683 56.520 55.803 0.056 0.000 0.847 176 Q CB -0.264 28.535 28.738 0.102 0.000 0.903 176 Q HN 0.261 nan 8.270 nan 0.000 0.433 177 L N 0.338 121.599 121.223 0.064 0.000 2.141 177 L HA -0.058 4.282 4.340 0.000 0.000 0.209 177 L C 2.140 179.036 176.870 0.042 0.000 1.094 177 L CA 1.533 56.411 54.840 0.063 0.000 0.763 177 L CB -0.947 41.225 42.059 0.188 0.000 0.908 177 L HN 0.099 nan 8.230 nan 0.000 0.437 178 A N -1.840 121.021 122.820 0.068 0.000 1.872 178 A HA -0.258 4.062 4.320 0.000 0.000 0.214 178 A C 2.155 179.773 177.584 0.056 0.000 1.187 178 A CA 1.327 53.395 52.037 0.052 0.000 0.614 178 A CB -1.268 17.769 19.000 0.062 0.000 0.826 178 A HN 0.576 nan 8.150 nan 0.000 0.442 179 W N 0.806 122.054 121.300 -0.087 0.000 2.338 179 W HA -0.186 4.474 4.660 0.000 0.000 0.304 179 W C 1.771 178.196 176.519 -0.156 0.000 1.212 179 W CA 2.053 59.333 57.345 -0.108 0.000 1.264 179 W CB -0.286 29.112 29.460 -0.104 0.000 1.142 179 W HN 0.261 nan 8.180 nan 0.000 0.512 180 L N 0.366 121.566 121.223 -0.039 0.000 2.046 180 L HA -0.264 4.076 4.340 0.000 0.000 0.208 180 L C 2.718 179.437 176.870 -0.252 0.000 1.077 180 L CA 2.005 56.702 54.840 -0.239 0.000 0.747 180 L CB -1.243 40.703 42.059 -0.188 0.000 0.896 180 L HN 0.147 nan 8.230 nan 0.000 0.432 181 Q N 0.205 119.913 119.800 -0.153 0.000 2.226 181 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 181 Q C 2.072 177.974 176.000 -0.164 0.000 0.975 181 Q CA 1.512 57.239 55.803 -0.126 0.000 0.866 181 Q CB -0.293 28.402 28.738 -0.071 0.000 0.915 181 Q HN 0.181 nan 8.270 nan 0.000 0.440 182 R N -0.143 120.224 120.500 -0.222 0.000 2.153 182 R HA 0.104 4.444 4.340 0.000 0.000 0.218 182 R C 1.570 177.667 176.300 -0.338 0.000 1.072 182 R CA 1.272 57.225 56.100 -0.244 0.000 0.990 182 R CB -0.762 29.392 30.300 -0.243 0.000 0.889 182 R HN 0.460 nan 8.270 nan 0.000 0.452 183 C N -1.081 117.924 119.300 -0.491 0.000 2.432 183 C HA 0.290 4.751 4.460 0.000 0.000 0.282 183 C C 1.741 176.554 174.990 -0.296 0.000 1.388 183 C CA 1.005 59.714 59.018 -0.515 0.000 1.777 183 C CB -0.665 26.654 27.740 -0.702 0.000 1.882 183 C HN 0.772 nan 8.230 nan 0.000 0.520 184 G N -0.625 108.038 108.800 -0.228 0.000 2.205 184 G HA2 -0.132 3.829 3.960 0.000 0.000 0.180 184 G HA3 -0.132 3.829 3.960 0.000 0.000 0.180 184 G C -0.048 174.788 174.900 -0.107 0.000 1.004 184 G CA -0.504 44.508 45.100 -0.148 0.000 0.670 184 G HN 0.286 nan 8.290 nan 0.000 0.496 185 I N 1.856 122.352 120.570 -0.123 0.000 2.741 185 I HA 0.112 4.283 4.170 0.000 0.000 0.288 185 I C 1.263 177.355 176.117 -0.041 0.000 1.192 185 I CA 0.713 61.975 61.300 -0.063 0.000 1.426 185 I CB 0.454 38.406 38.000 -0.079 0.000 1.367 185 I HN 0.352 nan 8.210 nan 0.000 0.563 186 E N 4.255 124.458 120.200 0.004 0.000 2.472 186 E HA 0.429 4.779 4.350 0.000 0.000 0.196 186 E C 0.189 176.677 176.600 -0.187 0.000 1.033 186 E CA 0.011 56.406 56.400 -0.008 0.000 0.886 186 E CB 0.611 30.389 29.700 0.131 0.000 0.944 186 E HN 0.747 nan 8.360 nan 0.000 0.492 187 A N 0.343 123.041 122.820 -0.203 0.000 2.599 187 A HA 0.530 4.850 4.320 0.000 0.000 0.294 187 A C -1.489 176.067 177.584 -0.047 0.000 1.055 187 A CA -0.638 51.176 52.037 -0.373 0.000 0.683 187 A CB 1.445 19.740 19.000 -1.176 0.000 1.278 187 A HN -0.024 nan 8.150 nan 0.000 0.412 188 V N 1.298 121.238 119.914 0.043 0.000 2.656 188 V HA 0.615 4.735 4.120 0.000 0.000 0.307 188 V C -0.967 175.314 176.094 0.313 0.000 1.051 188 V CA -0.503 61.930 62.300 0.221 0.000 0.893 188 V CB 1.665 33.613 31.823 0.209 0.000 0.999 188 V HN 0.942 nan 8.190 nan 0.000 0.426 189 L N 6.079 127.555 121.223 0.422 0.000 2.276 189 L HA 0.591 4.931 4.340 0.000 0.000 0.286 189 L C -0.686 176.416 176.870 0.387 0.000 1.024 189 L CA 0.206 55.290 54.840 0.407 0.000 0.826 189 L CB 0.808 43.123 42.059 0.428 0.000 1.211 189 L HN 0.534 nan 8.230 nan 0.000 0.422 190 L N 6.117 127.489 121.223 0.248 0.000 2.292 190 L HA 0.532 4.872 4.340 0.000 0.000 0.284 190 L C -0.442 176.545 176.870 0.195 0.000 1.065 190 L CA -0.640 54.285 54.840 0.141 0.000 0.806 190 L CB 0.910 42.868 42.059 -0.167 0.000 1.175 190 L HN 0.673 nan 8.230 nan 0.000 0.431 191 H N 0.494 119.626 119.070 0.103 0.000 2.856 191 H HA 0.321 4.877 4.556 0.000 0.000 0.355 191 H C -0.868 174.525 175.328 0.109 0.000 1.079 191 H CA -0.783 55.321 56.048 0.093 0.000 1.240 191 H CB 1.608 31.436 29.762 0.109 0.000 1.701 191 H HN 0.485 nan 8.280 nan 0.000 0.527 192 T N 1.371 115.943 114.554 0.030 0.000 3.015 192 T HA 0.012 4.362 4.350 0.000 0.000 0.250 192 T C 0.793 175.514 174.700 0.034 0.000 1.057 192 T CA 0.048 62.146 62.100 -0.002 0.000 1.066 192 T CB 0.289 69.181 68.868 0.040 0.000 0.959 192 T HN 0.437 nan 8.240 nan 0.000 0.488 193 Q N 2.413 122.266 119.800 0.089 0.000 2.394 193 Q HA 0.233 4.574 4.340 0.000 0.000 0.248 193 Q C -2.299 173.684 176.000 -0.028 0.000 0.992 193 Q CA -1.920 53.917 55.803 0.055 0.000 0.888 193 Q CB 0.088 28.862 28.738 0.061 0.000 1.257 193 Q HN 0.237 nan 8.270 nan 0.000 0.462 194 P HA 0.235 nan 4.420 nan 0.000 0.272 194 P C -1.327 175.633 177.300 -0.566 0.000 1.223 194 P CA -0.055 62.615 63.100 -0.716 0.000 0.784 194 P CB 0.813 32.339 31.700 -0.289 0.000 0.923 195 A N 1.882 124.204 122.820 -0.830 0.000 2.587 195 A HA 0.393 4.713 4.320 0.000 0.000 0.293 195 A C -0.149 177.429 177.584 -0.010 0.000 1.087 195 A CA -0.819 51.068 52.037 -0.249 0.000 0.692 195 A CB 0.623 19.540 19.000 -0.138 0.000 1.291 195 A HN 0.535 nan 8.150 nan 0.000 0.407 196 N N 0.759 119.519 118.700 0.100 0.000 2.410 196 N HA 0.139 4.879 4.740 0.000 0.000 0.231 196 N C 0.052 175.770 175.510 0.346 0.000 1.172 196 N CA 0.362 53.546 53.050 0.223 0.000 0.849 196 N CB 0.296 38.872 38.487 0.149 0.000 1.116 196 N HN 0.751 nan 8.380 nan 0.000 0.485 197 T N -3.136 111.635 114.554 0.361 0.000 2.934 197 T HA 0.169 4.519 4.350 0.000 0.000 0.283 197 T C 0.841 175.776 174.700 0.391 0.000 1.005 197 T CA -0.751 61.574 62.100 0.374 0.000 1.041 197 T CB 1.149 70.167 68.868 0.250 0.000 1.042 197 T HN -0.092 nan 8.240 nan 0.000 0.505 198 F N 1.914 121.770 119.950 -0.157 0.000 2.171 198 F HA -0.047 4.480 4.527 0.000 0.000 0.300 198 F C 2.657 178.497 175.800 0.067 0.000 1.090 198 F CA 1.514 59.202 58.000 -0.521 0.000 1.293 198 F CB -1.120 37.333 39.000 -0.912 0.000 1.013 198 F HN 0.762 nan 8.300 nan 0.000 0.486 199 S N -0.881 114.902 115.700 0.137 0.000 2.402 199 S HA -0.262 4.208 4.470 0.000 0.000 0.229 199 S C 2.076 176.750 174.600 0.122 0.000 1.021 199 S CA 1.055 59.255 58.200 -0.000 0.000 0.974 199 S CB -1.470 61.697 63.200 -0.055 0.000 0.800 199 S HN 0.511 nan 8.310 nan 0.000 0.484 200 Y N 1.621 122.027 120.300 0.177 0.000 2.184 200 Y HA 0.023 4.573 4.550 0.000 0.000 0.290 200 Y C 1.969 177.974 175.900 0.175 0.000 1.129 200 Y CA 1.018 59.230 58.100 0.186 0.000 1.144 200 Y CB -0.803 37.818 38.460 0.268 0.000 0.995 200 Y HN 0.268 nan 8.280 nan 0.000 0.513 201 F N 1.204 121.242 119.950 0.146 0.000 2.043 201 F HA -0.296 4.232 4.527 0.000 0.000 0.297 201 F C 2.681 178.499 175.800 0.030 0.000 1.121 201 F CA 3.005 61.078 58.000 0.121 0.000 1.199 201 F CB -1.138 38.045 39.000 0.306 0.000 0.968 201 F HN 0.179 nan 8.300 nan 0.000 0.478 202 T N -2.670 111.813 114.554 -0.118 0.000 2.833 202 T HA -0.192 4.158 4.350 0.000 0.000 0.269 202 T C 2.272 176.741 174.700 -0.385 0.000 1.054 202 T CA 1.464 63.392 62.100 -0.286 0.000 1.135 202 T CB -1.058 67.743 68.868 -0.111 0.000 0.869 202 T HN 0.372 nan 8.240 nan 0.000 0.466 203 S N 0.596 116.097 115.700 -0.332 0.000 2.348 203 S HA -0.179 4.291 4.470 0.000 0.000 0.221 203 S C 2.310 176.675 174.600 -0.392 0.000 1.033 203 S CA 1.456 59.440 58.200 -0.359 0.000 1.010 203 S CB -0.549 62.476 63.200 -0.293 0.000 0.891 203 S HN 0.619 nan 8.310 nan 0.000 0.442 204 Q N -0.945 118.548 119.800 -0.512 0.000 2.123 204 Q HA -0.071 4.269 4.340 0.000 0.000 0.196 204 Q C 1.892 177.709 176.000 -0.305 0.000 0.958 204 Q CA 1.264 56.797 55.803 -0.451 0.000 0.841 204 Q CB -0.437 27.881 28.738 -0.701 0.000 0.915 204 Q HN 0.761 nan 8.270 nan 0.000 0.455 205 Y N -0.279 119.708 120.300 -0.522 0.000 2.314 205 Y HA -0.039 4.511 4.550 0.000 0.000 0.294 205 Y C 2.062 177.724 175.900 -0.398 0.000 1.119 205 Y CA 1.384 59.198 58.100 -0.476 0.000 1.179 205 Y CB 0.145 38.124 38.460 -0.801 0.000 1.025 205 Y HN 0.215 nan 8.280 nan 0.000 0.541 206 C N 0.775 119.891 119.300 -0.308 0.000 2.791 206 C HA 0.175 4.635 4.460 0.000 0.000 0.270 206 C C 0.490 175.269 174.990 -0.351 0.000 1.257 206 C CA 0.128 58.993 59.018 -0.255 0.000 1.699 206 C CB -1.269 26.374 27.740 -0.162 0.000 1.904 206 C HN 0.573 nan 8.230 nan 0.000 0.603 207 E N 0.230 120.220 120.200 -0.350 0.000 2.389 207 E HA -0.213 4.137 4.350 0.000 0.000 0.243 207 E C 0.246 176.612 176.600 -0.389 0.000 1.154 207 E CA 0.266 56.478 56.400 -0.313 0.000 0.723 207 E CB -1.315 28.238 29.700 -0.245 0.000 1.261 207 E HN 0.781 nan 8.360 nan 0.000 0.390 208 A N 0.697 123.201 122.820 -0.526 0.000 2.294 208 A HA 0.386 4.706 4.320 0.000 0.000 0.330 208 A C -0.052 177.256 177.584 -0.459 0.000 1.133 208 A CA -0.639 51.014 52.037 -0.639 0.000 0.836 208 A CB 0.776 19.086 19.000 -1.150 0.000 1.190 208 A HN 0.124 nan 8.150 nan 0.000 0.492 209 D N 1.690 121.848 120.400 -0.403 0.000 2.402 209 D HA 0.424 5.064 4.640 0.000 0.000 0.235 209 D C -0.035 175.911 176.300 -0.590 0.000 1.226 209 D CA 0.686 54.445 54.000 -0.402 0.000 0.918 209 D CB 0.875 41.571 40.800 -0.174 0.000 1.043 209 D HN 0.620 nan 8.370 nan 0.000 0.506 210 A N 2.673 125.059 122.820 -0.724 0.000 2.324 210 A HA 0.751 5.071 4.320 0.000 0.000 0.330 210 A C -0.878 176.179 177.584 -0.879 0.000 1.165 210 A CA -0.553 51.106 52.037 -0.629 0.000 0.813 210 A CB 0.853 19.644 19.000 -0.348 0.000 1.197 210 A HN 0.364 nan 8.150 nan 0.000 0.484 211 F N -0.181 119.684 119.950 -0.142 0.000 2.591 211 F HA 0.481 5.008 4.527 0.000 0.000 0.309 211 F C 0.329 176.123 175.800 -0.010 0.000 1.098 211 F CA -0.385 57.623 58.000 0.014 0.000 0.937 211 F CB 2.619 41.692 39.000 0.121 0.000 1.250 211 F HN 0.403 nan 8.300 nan 0.000 0.447 212 T N 4.172 118.861 114.554 0.225 0.000 2.767 212 T HA 0.629 4.979 4.350 0.000 0.000 0.284 212 T C -0.499 174.269 174.700 0.112 0.000 0.973 212 T CA -0.480 61.672 62.100 0.087 0.000 0.996 212 T CB 0.408 69.268 68.868 -0.013 0.000 0.927 212 T HN 0.314 nan 8.240 nan 0.000 0.456 213 L N 3.341 124.625 121.223 0.102 0.000 2.319 213 L HA 0.459 4.799 4.340 0.000 0.000 0.281 213 L C 0.248 177.111 176.870 -0.012 0.000 1.005 213 L CA -0.888 53.979 54.840 0.046 0.000 0.828 213 L CB 1.384 43.499 42.059 0.093 0.000 1.227 213 L HN 0.422 nan 8.230 nan 0.000 0.415 214 E N 4.724 124.788 120.200 -0.227 0.000 1.993 214 E HA 0.206 4.556 4.350 0.000 0.000 0.271 214 E C 0.557 177.083 176.600 -0.124 0.000 1.008 214 E CA -0.130 56.108 56.400 -0.269 0.000 0.814 214 E CB 1.455 30.616 29.700 -0.898 0.000 1.098 214 E HN 0.598 nan 8.360 nan 0.000 0.407 215 L N 1.037 122.307 121.223 0.079 0.000 2.591 215 L HA 0.211 4.551 4.340 0.000 0.000 0.228 215 L C 1.196 178.161 176.870 0.159 0.000 1.133 215 L CA 0.237 55.173 54.840 0.160 0.000 0.880 215 L CB -0.001 42.269 42.059 0.353 0.000 1.033 215 L HN 0.584 nan 8.230 nan 0.000 0.450 216 G N -0.272 108.637 108.800 0.182 0.000 2.347 216 G HA2 -0.010 3.950 3.960 0.000 0.000 0.224 216 G HA3 -0.010 3.950 3.960 0.000 0.000 0.224 216 G C -1.368 173.657 174.900 0.209 0.000 1.318 216 G CA -0.956 44.232 45.100 0.147 0.000 1.016 216 G HN -0.031 nan 8.290 nan 0.000 0.469 217 K N 0.771 121.292 120.400 0.203 0.000 2.298 217 K HA 0.618 4.938 4.320 0.000 0.000 0.280 217 K C 0.355 177.059 176.600 0.173 0.000 1.032 217 K CA 0.304 56.693 56.287 0.170 0.000 0.958 217 K CB 1.601 34.176 32.500 0.125 0.000 0.978 217 K HN 0.841 nan 8.250 nan 0.000 0.472 218 A N 4.053 126.941 122.820 0.114 0.000 2.409 218 A HA 0.328 4.648 4.320 0.000 0.000 0.262 218 A C -0.202 177.403 177.584 0.034 0.000 1.113 218 A CA -0.273 51.802 52.037 0.062 0.000 0.790 218 A CB 0.347 19.375 19.000 0.046 0.000 1.046 218 A HN 0.624 nan 8.150 nan 0.000 0.496 219 R N 1.578 122.073 120.500 -0.007 0.000 2.680 219 R HA 0.456 4.796 4.340 0.000 0.000 0.269 219 R C -3.198 173.055 176.300 -0.079 0.000 1.026 219 R CA -1.743 54.349 56.100 -0.014 0.000 0.889 219 R CB 1.586 31.901 30.300 0.026 0.000 1.241 219 R HN 0.414 nan 8.270 nan 0.000 0.463 220 P HA 0.180 nan 4.420 nan 0.000 0.273 220 P C -0.280 176.995 177.300 -0.042 0.000 1.250 220 P CA -0.333 62.723 63.100 -0.074 0.000 0.793 220 P CB 0.286 31.990 31.700 0.007 0.000 1.011 221 F N 0.315 120.272 119.950 0.011 0.000 2.595 221 F HA 0.259 4.786 4.527 0.000 0.000 0.359 221 F C 2.026 177.833 175.800 0.012 0.000 1.147 221 F CA 2.076 60.081 58.000 0.008 0.000 1.341 221 F CB -0.817 38.187 39.000 0.006 0.000 1.104 221 F HN 0.654 nan 8.300 nan 0.000 0.603 222 G N 1.739 110.678 108.800 0.232 0.000 2.205 222 G HA2 -0.322 3.638 3.960 0.000 0.000 0.261 222 G HA3 -0.322 3.638 3.960 0.000 0.000 0.261 222 G C 0.733 175.691 174.900 0.095 0.000 0.980 222 G CA 0.356 45.535 45.100 0.133 0.000 0.632 222 G HN 0.626 nan 8.290 nan 0.000 0.533 223 Q N -0.130 119.723 119.800 0.088 0.000 2.159 223 Q HA 0.213 4.553 4.340 0.000 0.000 0.217 223 Q C 0.066 176.110 176.000 0.074 0.000 0.818 223 Q CA -0.182 55.662 55.803 0.068 0.000 1.008 223 Q CB 0.356 29.126 28.738 0.053 0.000 1.148 223 Q HN 0.653 nan 8.270 nan 0.000 0.491 224 N N 1.077 119.824 118.700 0.078 0.000 2.456 224 N HA 0.078 4.818 4.740 0.000 0.000 0.288 224 N C -1.002 174.592 175.510 0.140 0.000 1.059 224 N CA -0.360 52.750 53.050 0.100 0.000 0.946 224 N CB 1.000 39.490 38.487 0.005 0.000 1.150 224 N HN -0.040 nan 8.380 nan 0.000 0.479 225 D N 2.905 123.433 120.400 0.213 0.000 2.494 225 D HA 0.101 4.741 4.640 0.000 0.000 0.217 225 D C 0.953 177.435 176.300 0.302 0.000 1.153 225 D CA -0.160 53.954 54.000 0.190 0.000 0.954 225 D CB 0.381 41.265 40.800 0.140 0.000 1.034 225 D HN 0.521 nan 8.370 nan 0.000 0.518 226 L N 1.852 123.216 121.223 0.236 0.000 2.351 226 L HA -0.198 4.142 4.340 0.000 0.000 0.220 226 L C 2.196 179.228 176.870 0.271 0.000 1.127 226 L CA 0.543 55.549 54.840 0.275 0.000 0.786 226 L CB -0.358 41.782 42.059 0.135 0.000 0.914 226 L HN 0.239 nan 8.230 nan 0.000 0.443 227 S N -0.278 115.524 115.700 0.170 0.000 2.382 227 S HA -0.086 4.384 4.470 0.000 0.000 0.228 227 S C 1.820 176.448 174.600 0.047 0.000 1.027 227 S CA 0.837 59.092 58.200 0.091 0.000 0.991 227 S CB -0.207 63.026 63.200 0.055 0.000 0.823 227 S HN 0.426 nan 8.310 nan 0.000 0.469 228 R N 0.319 120.833 120.500 0.023 0.000 2.339 228 R HA 0.119 4.459 4.340 0.000 0.000 0.199 228 R C 0.021 175.996 176.300 -0.542 0.000 1.018 228 R CA 0.529 56.488 56.100 -0.235 0.000 1.036 228 R CB -0.466 29.649 30.300 -0.308 0.000 0.899 228 R HN 0.482 nan 8.270 nan 0.000 0.473 229 F N -0.601 119.349 119.950 0.000 0.000 2.775 229 F HA 0.086 4.613 4.527 0.000 0.000 0.313 229 F C 1.899 177.685 175.800 -0.023 0.000 1.121 229 F CA -0.215 57.779 58.000 -0.009 0.000 1.206 229 F CB 0.311 39.317 39.000 0.009 0.000 1.052 229 F HN -0.090 nan 8.300 nan 0.000 0.524 230 S N -0.185 115.559 115.700 0.073 0.000 2.383 230 S HA -0.163 4.307 4.470 0.000 0.000 0.229 230 S C 2.380 176.972 174.600 -0.013 0.000 1.030 230 S CA 1.497 59.718 58.200 0.035 0.000 1.002 230 S CB -1.101 62.104 63.200 0.008 0.000 0.829 230 S HN 0.397 nan 8.310 nan 0.000 0.467 231 G N 1.897 110.662 108.800 -0.058 0.000 2.480 231 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 231 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 231 G C 1.368 176.174 174.900 -0.156 0.000 1.200 231 G CA 1.012 46.038 45.100 -0.122 0.000 0.782 231 G HN 0.528 nan 8.290 nan 0.000 0.554 232 I N 1.114 121.618 120.570 -0.109 0.000 2.315 232 I HA -0.080 4.090 4.170 0.000 0.000 0.248 232 I C 2.193 178.287 176.117 -0.038 0.000 1.117 232 I CA 1.903 63.132 61.300 -0.117 0.000 1.404 232 I CB -0.334 37.662 38.000 -0.006 0.000 1.071 232 I HN 0.257 nan 8.210 nan 0.000 0.419 233 D N -0.215 120.202 120.400 0.028 0.000 2.097 233 D HA -0.143 4.497 4.640 0.000 0.000 0.195 233 D C 2.266 178.581 176.300 0.026 0.000 0.989 233 D CA 1.672 55.700 54.000 0.047 0.000 0.827 233 D CB -0.590 40.254 40.800 0.072 0.000 0.966 233 D HN 0.391 nan 8.370 nan 0.000 0.456 234 G N -0.036 108.761 108.800 -0.004 0.000 2.404 234 G HA2 -0.157 3.803 3.960 0.000 0.000 0.215 234 G HA3 -0.157 3.803 3.960 0.000 0.000 0.215 234 G C 1.725 176.623 174.900 -0.003 0.000 1.174 234 G CA 1.088 46.184 45.100 -0.007 0.000 0.780 234 G HN 0.429 nan 8.290 nan 0.000 0.537 235 A N 0.504 123.277 122.820 -0.077 0.000 1.902 235 A HA 0.100 4.420 4.320 0.000 0.000 0.217 235 A C 2.438 180.176 177.584 0.258 0.000 1.181 235 A CA 1.240 53.237 52.037 -0.067 0.000 0.623 235 A CB -0.398 18.235 19.000 -0.611 0.000 0.818 235 A HN 0.353 nan 8.150 nan 0.000 0.443 236 L N -1.369 119.979 121.223 0.207 0.000 2.093 236 L HA -0.150 4.190 4.340 0.000 0.000 0.208 236 L C 2.882 179.857 176.870 0.176 0.000 1.085 236 L CA 1.280 56.282 54.840 0.270 0.000 0.755 236 L CB -0.422 41.746 42.059 0.181 0.000 0.904 236 L HN 0.355 nan 8.230 nan 0.000 0.435 237 R N -0.231 120.339 120.500 0.116 0.000 2.081 237 R HA -0.107 4.233 4.340 0.000 0.000 0.235 237 R C 2.341 178.696 176.300 0.093 0.000 1.131 237 R CA 1.294 57.444 56.100 0.083 0.000 0.960 237 R CB -0.639 29.697 30.300 0.060 0.000 0.856 237 R HN 0.406 nan 8.270 nan 0.000 0.436 238 G N 1.050 109.919 108.800 0.115 0.000 2.422 238 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 238 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 238 G C 1.312 176.293 174.900 0.135 0.000 1.140 238 G CA 0.282 45.452 45.100 0.117 0.000 0.775 238 G HN 0.180 nan 8.290 nan 0.000 0.545 239 L N 0.484 121.817 121.223 0.184 0.000 2.027 239 L HA 0.146 4.486 4.340 0.000 0.000 0.206 239 L C 2.605 179.517 176.870 0.072 0.000 1.074 239 L CA 1.425 56.340 54.840 0.124 0.000 0.745 239 L CB -0.543 41.587 42.059 0.118 0.000 0.898 239 L HN 0.195 nan 8.230 nan 0.000 0.433 240 L N -1.136 120.134 121.223 0.079 0.000 2.093 240 L HA -0.132 4.208 4.340 0.000 0.000 0.208 240 L C 2.470 179.364 176.870 0.040 0.000 1.085 240 L CA 1.176 56.047 54.840 0.050 0.000 0.755 240 L CB -0.817 41.268 42.059 0.043 0.000 0.904 240 L HN 0.231 nan 8.230 nan 0.000 0.435 241 S N 0.547 116.276 115.700 0.048 0.000 2.345 241 S HA -0.068 4.403 4.470 0.000 0.000 0.220 241 S C 0.804 175.425 174.600 0.035 0.000 1.031 241 S CA 1.363 59.587 58.200 0.039 0.000 0.996 241 S CB -0.243 62.983 63.200 0.044 0.000 0.882 241 S HN 0.585 nan 8.310 nan 0.000 0.445 242 N N -0.079 118.646 118.700 0.041 0.000 2.685 242 N HA 0.186 4.926 4.740 0.000 0.000 0.252 242 N C -2.897 172.633 175.510 0.034 0.000 1.261 242 N CA -1.356 51.714 53.050 0.033 0.000 0.768 242 N CB 1.124 39.630 38.487 0.033 0.000 1.304 242 N HN 0.091 nan 8.380 nan 0.000 0.536 243 P HA -0.109 nan 4.420 nan 0.000 0.225 243 P C 0.536 177.834 177.300 -0.003 0.000 1.148 243 P CA 1.091 64.192 63.100 0.002 0.000 0.779 243 P CB 0.497 32.191 31.700 -0.009 0.000 0.780 244 Q N -0.340 119.463 119.800 0.005 0.000 2.444 244 Q HA 0.202 4.542 4.340 0.000 0.000 0.206 244 Q C 0.972 176.981 176.000 0.015 0.000 0.948 244 Q CA -0.158 55.647 55.803 0.003 0.000 0.946 244 Q CB -0.386 28.353 28.738 0.002 0.000 1.027 244 Q HN 0.196 nan 8.270 nan 0.000 0.513 245 A N 3.349 126.185 122.820 0.028 0.000 2.511 245 A HA 0.104 4.424 4.320 0.000 0.000 0.242 245 A C 0.705 178.315 177.584 0.044 0.000 1.069 245 A CA -0.415 51.646 52.037 0.040 0.000 0.763 245 A CB 0.001 19.037 19.000 0.060 0.000 1.001 245 A HN 0.403 nan 8.150 nan 0.000 0.498 246 N N 1.269 119.992 118.700 0.038 0.000 2.444 246 N HA 0.224 4.964 4.740 0.000 0.000 0.255 246 N C -0.842 174.703 175.510 0.058 0.000 1.255 246 N CA -0.116 52.957 53.050 0.038 0.000 0.933 246 N CB 0.870 39.373 38.487 0.026 0.000 1.143 246 N HN 0.231 nan 8.380 nan 0.000 0.453 247 V N 1.716 121.666 119.914 0.060 0.000 2.384 247 V HA 0.291 4.411 4.120 0.000 0.000 0.287 247 V C -1.773 174.350 176.094 0.049 0.000 1.020 247 V CA -1.386 60.962 62.300 0.080 0.000 0.850 247 V CB 1.213 33.101 31.823 0.108 0.000 0.987 247 V HN 0.707 nan 8.190 nan 0.000 0.436 248 P HA 0.067 nan 4.420 nan 0.000 0.235 248 P C 0.276 177.587 177.300 0.018 0.000 1.670 248 P CA 0.137 63.250 63.100 0.021 0.000 1.017 248 P CB -0.646 31.060 31.700 0.010 0.000 1.945 249 D N 0.569 120.983 120.400 0.024 0.000 3.811 249 D HA -0.271 4.369 4.640 0.000 0.000 0.267 249 D C -0.466 175.847 176.300 0.022 0.000 2.116 249 D CA 0.419 54.433 54.000 0.023 0.000 1.069 249 D CB -0.656 40.154 40.800 0.017 0.000 0.935 249 D HN 0.239 nan 8.370 nan 0.000 1.100 250 L N 1.403 122.638 121.223 0.020 0.000 2.491 250 L HA 0.301 4.641 4.340 0.000 0.000 0.267 250 L C -1.401 175.475 176.870 0.009 0.000 0.971 250 L CA -0.698 54.152 54.840 0.016 0.000 0.857 250 L CB 1.427 43.504 42.059 0.031 0.000 1.226 250 L HN 0.727 nan 8.230 nan 0.000 0.408 251 D N 3.978 124.376 120.400 -0.002 0.000 2.498 251 D HA -0.016 4.624 4.640 0.000 0.000 0.229 251 D C 1.117 177.410 176.300 -0.011 0.000 1.188 251 D CA -0.319 53.678 54.000 -0.006 0.000 1.028 251 D CB 0.458 41.252 40.800 -0.010 0.000 1.087 251 D HN 0.710 nan 8.370 nan 0.000 0.510 252 E N 1.573 121.769 120.200 -0.007 0.000 2.253 252 E HA -0.306 4.044 4.350 0.000 0.000 0.202 252 E C 0.396 176.977 176.600 -0.032 0.000 1.014 252 E CA 1.018 57.408 56.400 -0.017 0.000 0.823 252 E CB -0.264 29.429 29.700 -0.010 0.000 0.736 252 E HN 0.433 nan 8.360 nan 0.000 0.478 253 D N 1.253 121.638 120.400 -0.025 0.000 2.265 253 D HA -0.148 4.492 4.640 0.000 0.000 0.208 253 D C 1.426 177.710 176.300 -0.027 0.000 0.977 253 D CA 1.081 55.065 54.000 -0.026 0.000 0.871 253 D CB -0.058 40.732 40.800 -0.017 0.000 0.925 253 D HN 0.249 nan 8.370 nan 0.000 0.485 254 K N 0.261 120.644 120.400 -0.027 0.000 2.618 254 K HA 0.118 4.438 4.320 0.000 0.000 0.207 254 K C -0.424 176.151 176.600 -0.042 0.000 1.058 254 K CA -0.155 56.117 56.287 -0.025 0.000 1.086 254 K CB 0.647 33.136 32.500 -0.018 0.000 0.827 254 K HN -0.066 nan 8.250 nan 0.000 0.481 255 L N 3.002 124.189 121.223 -0.061 0.000 2.502 255 L HA 0.386 4.726 4.340 0.000 0.000 0.249 255 L C -2.702 174.088 176.870 -0.133 0.000 1.446 255 L CA -1.500 53.290 54.840 -0.083 0.000 0.887 255 L CB 1.179 43.208 42.059 -0.050 0.000 1.126 255 L HN 0.039 nan 8.230 nan 0.000 0.509 256 P HA 0.128 nan 4.420 nan 0.000 0.264 256 P C -0.754 176.309 177.300 -0.394 0.000 1.193 256 P CA 0.040 62.941 63.100 -0.331 0.000 0.763 256 P CB 1.039 32.551 31.700 -0.313 0.000 0.810 257 L N 3.929 124.855 121.223 -0.494 0.000 2.317 257 L HA 0.525 4.865 4.340 0.000 0.000 0.281 257 L C 0.154 176.657 176.870 -0.612 0.000 1.024 257 L CA -0.730 53.900 54.840 -0.349 0.000 0.810 257 L CB 0.744 42.669 42.059 -0.222 0.000 1.240 257 L HN 0.279 nan 8.230 nan 0.000 0.427 258 F N 1.213 121.131 119.950 -0.053 0.000 2.611 258 F HA 0.739 5.266 4.527 0.000 0.000 0.324 258 F C -0.049 175.756 175.800 0.008 0.000 1.061 258 F CA -0.826 57.171 58.000 -0.005 0.000 0.954 258 F CB 1.947 40.995 39.000 0.080 0.000 1.301 258 F HN 0.396 nan 8.300 nan 0.000 0.482 259 R N 0.744 121.361 120.500 0.196 0.000 2.707 259 R HA 0.905 5.245 4.340 0.000 0.000 0.272 259 R C -1.874 174.478 176.300 0.087 0.000 1.011 259 R CA -1.238 54.926 56.100 0.107 0.000 0.893 259 R CB 1.696 32.012 30.300 0.027 0.000 1.233 259 R HN 0.719 nan 8.270 nan 0.000 0.464 260 A N 1.895 124.751 122.820 0.060 0.000 2.328 260 A HA 0.280 4.600 4.320 0.000 0.000 0.284 260 A C 0.480 178.074 177.584 0.017 0.000 1.160 260 A CA -0.701 51.336 52.037 0.001 0.000 0.818 260 A CB 0.618 19.617 19.000 -0.002 0.000 1.087 260 A HN 0.947 nan 8.150 nan 0.000 0.504 261 K N 1.183 121.575 120.400 -0.014 0.000 2.313 261 K HA 0.228 4.548 4.320 0.000 0.000 0.197 261 K C -0.545 176.187 176.600 0.220 0.000 1.061 261 K CA 0.503 56.852 56.287 0.104 0.000 0.980 261 K CB 0.229 32.831 32.500 0.170 0.000 0.888 261 K HN 0.856 nan 8.250 nan 0.000 0.502 262 Y N -0.312 119.999 120.300 0.020 0.000 2.465 262 Y HA 0.448 4.998 4.550 0.000 0.000 0.323 262 Y C -1.594 174.293 175.900 -0.021 0.000 1.191 262 Y CA -1.677 56.434 58.100 0.019 0.000 1.082 262 Y CB 0.831 39.320 38.460 0.049 0.000 1.334 262 Y HN -0.219 nan 8.280 nan 0.000 0.449 263 D N 2.251 122.697 120.400 0.076 0.000 2.475 263 D HA 0.299 4.939 4.640 0.000 0.000 0.286 263 D C 0.030 176.313 176.300 -0.028 0.000 1.205 263 D CA -0.117 53.866 54.000 -0.027 0.000 1.092 263 D CB 0.339 41.141 40.800 0.003 0.000 1.147 263 D HN 0.831 nan 8.370 nan 0.000 0.575 264 L N -0.748 120.439 121.223 -0.061 0.000 3.597 264 L HA -0.170 4.170 4.340 0.000 0.000 0.440 264 L C -1.350 175.299 176.870 -0.368 0.000 1.277 264 L CA 0.448 55.231 54.840 -0.094 0.000 0.852 264 L CB -1.028 41.063 42.059 0.052 0.000 1.708 264 L HN 0.184 nan 8.230 nan 0.000 0.885 274 N N 1.441 120.156 118.700 0.024 0.000 2.410 274 N HA 0.410 5.150 4.740 0.000 0.000 0.231 274 N C -0.866 174.648 175.510 0.008 0.000 1.172 274 N CA 0.360 53.422 53.050 0.021 0.000 0.849 274 N CB -0.125 38.382 38.487 0.033 0.000 1.116 274 N HN 0.257 nan 8.380 nan 0.000 0.485 275 L N -0.055 121.167 121.223 -0.001 0.000 2.370 275 L HA 0.571 4.911 4.340 0.000 0.000 0.266 275 L C 0.221 177.085 176.870 -0.010 0.000 1.002 275 L CA -1.105 53.728 54.840 -0.011 0.000 0.818 275 L CB 1.808 43.852 42.059 -0.025 0.000 1.325 275 L HN -0.055 nan 8.230 nan 0.000 0.418 276 A N 1.013 123.826 122.820 -0.011 0.000 2.507 276 A HA 0.027 4.347 4.320 0.000 0.000 0.235 276 A C 0.537 178.115 177.584 -0.009 0.000 1.070 276 A CA 0.082 52.113 52.037 -0.009 0.000 0.768 276 A CB 0.007 19.001 19.000 -0.010 0.000 1.011 276 A HN 0.896 nan 8.150 nan 0.000 0.502 277 D N 0.553 120.950 120.400 -0.006 0.000 2.149 277 D HA -0.122 4.518 4.640 0.000 0.000 0.198 277 D C 1.823 178.121 176.300 -0.004 0.000 0.990 277 D CA 2.147 56.144 54.000 -0.004 0.000 0.839 277 D CB -0.100 40.698 40.800 -0.003 0.000 0.948 277 D HN 0.593 nan 8.370 nan 0.000 0.460 278 S N -0.046 115.651 115.700 -0.004 0.000 2.660 278 S HA 0.128 4.598 4.470 0.000 0.000 0.227 278 S C 0.600 175.195 174.600 -0.008 0.000 0.948 278 S CA -0.649 57.549 58.200 -0.002 0.000 0.948 278 S CB -0.245 62.955 63.200 -0.001 0.000 0.779 278 S HN 0.081 nan 8.310 nan 0.000 0.487 279 V N 2.364 122.268 119.914 -0.016 0.000 2.694 279 V HA 0.098 4.218 4.120 0.000 0.000 0.306 279 V C 0.317 176.390 176.094 -0.034 0.000 1.054 279 V CA 0.176 62.458 62.300 -0.030 0.000 1.161 279 V CB 0.399 32.198 31.823 -0.040 0.000 0.916 279 V HN 0.576 nan 8.190 nan 0.000 0.490 280 E N 4.696 124.870 120.200 -0.044 0.000 2.343 280 E HA 0.198 4.548 4.350 0.000 0.000 0.269 280 E C -0.049 176.496 176.600 -0.091 0.000 1.047 280 E CA -0.258 56.116 56.400 -0.044 0.000 0.874 280 E CB 0.627 30.302 29.700 -0.042 0.000 1.033 280 E HN 0.808 nan 8.360 nan 0.000 0.409 281 N N 1.240 119.883 118.700 -0.095 0.000 2.454 281 N HA -0.017 4.723 4.740 0.000 0.000 0.254 281 N C -0.575 174.802 175.510 -0.222 0.000 1.228 281 N CA 0.293 53.179 53.050 -0.273 0.000 0.900 281 N CB 0.159 38.468 38.487 -0.296 0.000 1.089 281 N HN 0.500 nan 8.380 nan 0.000 0.449 282 F N -1.658 118.060 119.950 -0.387 0.000 2.884 282 F HA -0.279 4.248 4.527 0.000 0.000 0.294 282 F C 0.398 176.015 175.800 -0.305 0.000 0.723 282 F CA 0.088 57.855 58.000 -0.387 0.000 1.294 282 F CB -2.202 36.583 39.000 -0.358 0.000 1.551 282 F HN 0.375 nan 8.300 nan 0.000 0.363 283 T N 2.314 116.788 114.554 -0.133 0.000 2.829 283 T HA 0.260 4.610 4.350 0.000 0.000 0.293 283 T C 0.238 174.886 174.700 -0.086 0.000 0.970 283 T CA -0.251 61.784 62.100 -0.108 0.000 1.168 283 T CB 0.577 69.385 68.868 -0.099 0.000 0.911 283 T HN 0.189 nan 8.240 nan 0.000 0.535 284 L N 5.605 126.791 121.223 -0.061 0.000 2.453 284 L HA 0.220 4.560 4.340 0.000 0.000 0.272 284 L C -0.561 176.296 176.870 -0.022 0.000 1.182 284 L CA 0.027 54.853 54.840 -0.025 0.000 0.858 284 L CB 0.193 42.248 42.059 -0.006 0.000 1.120 284 L HN 0.406 nan 8.230 nan 0.000 0.474 285 L N 7.582 128.800 121.223 -0.008 0.000 2.272 285 L HA 0.467 4.807 4.340 0.000 0.000 0.289 285 L C -1.965 174.916 176.870 0.018 0.000 1.032 285 L CA -1.699 53.141 54.840 0.001 0.000 0.810 285 L CB 0.699 42.762 42.059 0.006 0.000 1.205 285 L HN 0.535 nan 8.230 nan 0.000 0.422 286 P HA 0.008 nan 4.420 nan 0.000 0.269 286 P C -0.453 176.863 177.300 0.028 0.000 1.209 286 P CA -0.411 62.700 63.100 0.019 0.000 0.776 286 P CB 1.004 32.711 31.700 0.012 0.000 0.876 287 D N 1.040 121.457 120.400 0.028 0.000 2.450 287 D HA 0.342 4.982 4.640 0.000 0.000 0.247 287 D C 0.867 177.184 176.300 0.028 0.000 1.162 287 D CA 1.655 55.674 54.000 0.031 0.000 0.879 287 D CB -0.248 40.568 40.800 0.027 0.000 1.163 287 D HN 0.756 nan 8.370 nan 0.000 0.472 291 I N 2.405 123.068 120.570 0.154 0.000 7.627 291 I HA -0.226 3.944 4.170 0.000 0.000 0.126 291 I C 0.983 177.180 176.117 0.134 0.000 1.803 291 I CA 1.286 62.719 61.300 0.222 0.000 2.130 291 I CB -1.483 36.624 38.000 0.179 0.000 3.611 291 I HN 0.775 nan 8.210 nan 0.000 0.197 299 Y N 1.298 121.594 120.300 -0.007 0.000 2.620 299 Y HA 0.294 4.844 4.550 0.000 0.000 0.330 299 Y C 1.027 176.945 175.900 0.030 0.000 1.186 299 Y CA 0.026 58.121 58.100 -0.009 0.000 1.467 299 Y CB 0.459 38.992 38.460 0.123 0.000 1.262 299 Y HN 0.412 nan 8.280 nan 0.000 0.550 300 Q N 2.020 121.906 119.800 0.144 0.000 2.347 300 Q HA 0.732 5.072 4.340 0.000 0.000 0.271 300 Q C -1.196 174.881 176.000 0.130 0.000 1.064 300 Q CA -1.046 54.825 55.803 0.112 0.000 0.800 300 Q CB 1.851 30.616 28.738 0.045 0.000 1.304 300 Q HN 0.896 nan 8.270 nan 0.000 0.438 301 A N 2.171 125.061 122.820 0.117 0.000 2.425 301 A HA 0.501 4.821 4.320 0.000 0.000 0.249 301 A C -0.241 177.391 177.584 0.080 0.000 1.084 301 A CA 0.362 52.464 52.037 0.109 0.000 0.781 301 A CB 0.841 19.887 19.000 0.077 0.000 1.019 301 A HN 0.604 nan 8.150 nan 0.000 0.490 302 T N 0.306 114.910 114.554 0.085 0.000 2.993 302 T HA 0.568 4.918 4.350 0.000 0.000 0.312 302 T C 0.671 175.408 174.700 0.061 0.000 1.115 302 T CA 0.871 63.009 62.100 0.063 0.000 1.027 302 T CB 0.745 69.646 68.868 0.056 0.000 1.116 302 T HN 2.485 nan 8.240 nan 0.000 0.464 303 G N 2.673 111.501 108.800 0.047 0.000 2.490 303 G HA2 0.082 4.042 3.960 0.000 0.000 0.214 303 G HA3 0.082 4.042 3.960 0.000 0.000 0.214 303 G C 1.296 176.221 174.900 0.042 0.000 1.151 303 G CA 0.876 46.002 45.100 0.044 0.000 0.684 303 G HN 2.383 nan 8.290 nan 0.000 0.518 304 G N -0.253 108.575 108.800 0.048 0.000 2.131 304 G HA2 -0.123 3.837 3.960 0.000 0.000 0.223 304 G HA3 -0.123 3.837 3.960 0.000 0.000 0.223 304 G C 0.331 175.263 174.900 0.054 0.000 0.990 304 G CA 1.325 46.450 45.100 0.043 0.000 0.671 304 G HN 1.060 nan 8.290 nan 0.000 0.521 305 E N -0.403 119.838 120.200 0.069 0.000 2.641 305 E HA 0.113 4.463 4.350 0.000 0.000 0.224 305 E C 0.440 177.115 176.600 0.124 0.000 0.951 305 E CA -0.242 56.217 56.400 0.098 0.000 1.102 305 E CB 0.727 30.482 29.700 0.092 0.000 1.091 305 E HN 0.709 nan 8.360 nan 0.000 0.507 306 E N 1.406 121.659 120.200 0.088 0.000 2.343 306 E HA 0.336 4.686 4.350 0.000 0.000 0.269 306 E C -0.217 176.397 176.600 0.022 0.000 1.047 306 E CA 0.115 56.554 56.400 0.066 0.000 0.874 306 E CB 1.079 30.810 29.700 0.052 0.000 1.033 306 E HN -0.059 nan 8.360 nan 0.000 0.409 307 R N 1.280 121.761 120.500 -0.032 0.000 2.744 307 R HA 0.428 4.768 4.340 0.000 0.000 0.279 307 R C -0.923 175.243 176.300 -0.222 0.000 0.977 307 R CA -1.084 54.952 56.100 -0.107 0.000 0.906 307 R CB 1.565 31.805 30.300 -0.100 0.000 1.197 307 R HN 0.422 nan 8.270 nan 0.000 0.463 308 I N 2.354 122.780 120.570 -0.240 0.000 2.472 308 I HA 0.348 4.518 4.170 0.000 0.000 0.290 308 I C -1.293 174.551 176.117 -0.455 0.000 1.016 308 I CA -0.524 60.602 61.300 -0.291 0.000 1.348 308 I CB 1.077 38.956 38.000 -0.201 0.000 1.417 308 I HN 0.472 nan 8.210 nan 0.000 0.521 309 L N 8.026 128.944 121.223 -0.507 0.000 2.431 309 L HA 0.558 4.898 4.340 0.000 0.000 0.266 309 L C -0.885 175.701 176.870 -0.474 0.000 0.978 309 L CA -0.280 54.088 54.840 -0.786 0.000 0.822 309 L CB 1.080 42.452 42.059 -1.145 0.000 1.310 309 L HN 0.646 nan 8.230 nan 0.000 0.409 310 F N 3.488 123.310 119.950 -0.213 0.000 2.891 310 F HA -0.167 4.361 4.527 0.000 0.000 0.272 310 F C -1.905 173.833 175.800 -0.104 0.000 1.004 310 F CA -0.414 57.520 58.000 -0.110 0.000 0.938 310 F CB -1.288 37.663 39.000 -0.082 0.000 0.939 310 F HN 0.331 nan 8.300 nan 0.000 0.833 311 P HA 0.235 nan 4.420 nan 0.000 0.275 311 P C -0.600 176.709 177.300 0.014 0.000 1.227 311 P CA -0.065 63.029 63.100 -0.011 0.000 0.781 311 P CB 1.849 33.521 31.700 -0.047 0.000 0.906 312 N N 2.241 120.940 118.700 -0.000 0.000 3.466 312 N HA 0.175 4.915 4.740 0.000 0.000 0.217 312 N C -2.803 172.704 175.510 -0.004 0.000 1.265 312 N CA -0.877 52.174 53.050 0.002 0.000 0.887 312 N CB 0.634 39.126 38.487 0.007 0.000 1.626 312 N HN 0.172 nan 8.380 nan 0.000 0.700 322 G N -0.244 108.536 108.800 -0.034 0.000 2.375 322 G HA2 0.514 4.474 3.960 0.000 0.000 0.663 322 G HA3 0.514 4.474 3.960 0.000 0.000 0.663 322 G C -0.858 173.974 174.900 -0.113 0.000 1.391 322 G CA -0.138 44.928 45.100 -0.057 0.000 0.949 322 G HN 1.755 nan 8.290 nan 0.000 0.646 323 I N -2.100 118.374 120.570 -0.159 0.000 2.686 323 I HA 0.838 5.008 4.170 0.000 0.000 0.295 323 I C -0.531 175.382 176.117 -0.340 0.000 1.114 323 I CA -1.535 59.629 61.300 -0.228 0.000 1.038 323 I CB 2.368 40.281 38.000 -0.144 0.000 1.238 323 I HN 0.422 nan 8.210 nan 0.000 0.420 324 V N 5.831 125.457 119.914 -0.481 0.000 2.370 324 V HA 0.482 4.602 4.120 0.000 0.000 0.279 324 V C 0.376 176.250 176.094 -0.367 0.000 1.029 324 V CA -0.462 61.530 62.300 -0.513 0.000 0.870 324 V CB 1.266 32.544 31.823 -0.908 0.000 0.984 324 V HN 0.644 nan 8.190 nan 0.000 0.451 325 V N 2.782 122.560 119.914 -0.227 0.000 2.994 325 V HA 0.902 5.022 4.120 0.000 0.000 0.318 325 V C -0.444 175.692 176.094 0.070 0.000 1.085 325 V CA -0.679 61.579 62.300 -0.069 0.000 0.998 325 V CB 1.929 33.720 31.823 -0.054 0.000 1.063 325 V HN 0.990 nan 8.190 nan 0.000 0.447 326 E N 1.655 121.963 120.200 0.179 0.000 2.416 326 E HA 0.641 4.991 4.350 0.000 0.000 0.273 326 E C -3.107 173.629 176.600 0.227 0.000 0.935 326 E CA -2.487 54.039 56.400 0.210 0.000 0.784 326 E CB 2.296 32.059 29.700 0.105 0.000 1.301 326 E HN 0.521 nan 8.360 nan 0.000 0.454 327 P HA 0.121 nan 4.420 nan 0.000 0.268 327 P C -0.972 176.214 177.300 -0.190 0.000 1.205 327 P CA 0.133 63.075 63.100 -0.264 0.000 0.771 327 P CB 1.141 32.717 31.700 -0.208 0.000 0.858 328 A N 4.225 126.876 122.820 -0.280 0.000 2.387 328 A HA 0.824 5.144 4.320 0.000 0.000 0.303 328 A C -0.277 177.183 177.584 -0.207 0.000 1.145 328 A CA -0.798 51.124 52.037 -0.192 0.000 0.801 328 A CB 1.656 20.555 19.000 -0.169 0.000 1.342 328 A HN 0.497 nan 8.150 nan 0.000 0.440 329 R N 0.136 120.531 120.500 -0.176 0.000 2.725 329 R HA 0.463 4.803 4.340 0.000 0.000 0.277 329 R C -1.343 174.849 176.300 -0.180 0.000 0.987 329 R CA -0.769 55.238 56.100 -0.155 0.000 0.901 329 R CB 1.689 31.926 30.300 -0.105 0.000 1.207 329 R HN 0.666 nan 8.270 nan 0.000 0.463 330 L N 1.695 122.824 121.223 -0.157 0.000 2.439 330 L HA 0.586 4.926 4.340 0.000 0.000 0.269 330 L C -1.347 175.483 176.870 -0.065 0.000 1.179 330 L CA -0.314 54.429 54.840 -0.160 0.000 0.828 330 L CB 0.251 42.273 42.059 -0.062 0.000 1.106 330 L HN 0.685 nan 8.230 nan 0.000 0.467 331 P HA 0.000 nan 4.420 nan 0.000 0.216 331 P CA 0.000 63.117 63.100 0.028 0.000 0.800 331 P CB 0.000 31.701 31.700 0.003 0.000 0.726