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 2w0u_1_B DATA FIRST_RESID 5 DATA SEQUENCE LICINDYEQH AKSVLPKSIY DYYRSGANDE ETLADNIAAF SRWKLYPRML DATA SEQUENCE RNVAETDLST SVLGQRVSMP ICVGATAMQR MAHVDGELAT VRACQSLGTG DATA SEQUENCE MMLSSWATSS IEEVAEAGPE ALRWLQLYIY KDREVTKKLV RQAEKMGYKA DATA SEQUENCE IFVTVDTPYL GNRLDDVRNR FKLXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE LAAYVAKAID PSISWEDIKW LRRLTSLPIV AKGILRGDDA REAVKHGLNG DATA SEQUENCE ILVSNHGARQ LDGVPATIDV LPEIVEAVEG KVEVFLDGGV RKGTDVLKAL DATA SEQUENCE ALGAKAVFVG RPIVWGLAFQ GEKGVQDVLE ILKEEFRLAM ALSGCQNVKV DATA SEQUENCE IDKTLVRKN 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.890 176.870 0.033 0.000 1.165 5 L CA 0.000 54.741 54.840 -0.164 0.000 0.813 5 L CB 0.000 41.675 42.059 -0.641 0.000 0.961 6 I N 0.197 120.782 120.570 0.024 0.000 2.385 6 I HA 0.088 4.258 4.170 -0.000 0.000 0.244 6 I C 0.966 177.128 176.117 0.074 0.000 1.089 6 I CA 1.106 62.435 61.300 0.048 0.000 1.410 6 I CB -0.382 37.633 38.000 0.025 0.000 1.117 6 I HN 0.735 nan 8.210 nan 0.000 0.429 7 C N -1.173 118.179 119.300 0.086 0.000 2.973 7 C HA 0.602 5.062 4.460 -0.000 0.000 0.329 7 C C 1.750 176.827 174.990 0.144 0.000 1.327 7 C CA -0.779 58.290 59.018 0.084 0.000 1.632 7 C CB 1.236 29.007 27.740 0.052 0.000 2.098 7 C HN 0.260 nan 8.230 nan 0.000 0.469 8 I N 1.923 122.549 120.570 0.094 0.000 2.286 8 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 8 I C 2.230 178.454 176.117 0.179 0.000 1.115 8 I CA 1.433 62.805 61.300 0.121 0.000 1.392 8 I CB -0.710 37.324 38.000 0.056 0.000 1.065 8 I HN 0.682 nan 8.210 nan 0.000 0.418 9 N N 0.824 119.592 118.700 0.114 0.000 2.137 9 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 9 N C 1.423 176.960 175.510 0.046 0.000 1.017 9 N CA 1.575 54.671 53.050 0.076 0.000 0.859 9 N CB -0.505 38.012 38.487 0.049 0.000 1.002 9 N HN 0.387 nan 8.380 nan 0.000 0.428 10 D N -0.221 120.214 120.400 0.059 0.000 2.117 10 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 10 D C 1.828 178.111 176.300 -0.028 0.000 0.987 10 D CA 0.881 54.884 54.000 0.005 0.000 0.829 10 D CB -0.622 40.160 40.800 -0.031 0.000 0.961 10 D HN 0.393 nan 8.370 nan 0.000 0.460 11 Y N 1.163 121.408 120.300 -0.092 0.000 2.274 11 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 11 Y C 2.508 178.346 175.900 -0.105 0.000 1.145 11 Y CA 1.245 59.285 58.100 -0.100 0.000 1.203 11 Y CB 0.040 38.504 38.460 0.007 0.000 0.984 11 Y HN 0.026 nan 8.280 nan 0.000 0.533 12 E N 0.055 120.181 120.200 -0.123 0.000 2.072 12 E HA -0.251 4.099 4.350 -0.000 0.000 0.190 12 E C 1.951 178.279 176.600 -0.454 0.000 0.982 12 E CA 1.075 57.075 56.400 -0.667 0.000 0.803 12 E CB -0.021 29.334 29.700 -0.574 0.000 0.755 12 E HN 0.533 nan 8.360 nan 0.000 0.453 13 Q N -0.892 118.755 119.800 -0.256 0.000 2.167 13 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 13 Q C 1.824 177.648 176.000 -0.293 0.000 0.970 13 Q CA 1.428 57.068 55.803 -0.271 0.000 0.855 13 Q CB -0.019 28.591 28.738 -0.212 0.000 0.911 13 Q HN 0.407 nan 8.270 nan 0.000 0.438 14 H N -0.692 118.244 119.070 -0.223 0.000 2.357 14 H HA -0.033 4.523 4.556 0.000 0.000 0.301 14 H C 1.900 177.200 175.328 -0.048 0.000 1.082 14 H CA 1.418 57.391 56.048 -0.126 0.000 1.342 14 H CB -0.035 29.620 29.762 -0.177 0.000 1.389 14 H HN 0.318 nan 8.280 nan 0.000 0.511 15 A N 0.828 123.683 122.820 0.058 0.000 1.940 15 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 15 A C 2.135 179.678 177.584 -0.069 0.000 1.176 15 A CA 1.743 53.847 52.037 0.111 0.000 0.631 15 A CB -0.450 18.661 19.000 0.185 0.000 0.814 15 A HN 0.361 nan 8.150 nan 0.000 0.446 16 K N -0.120 120.034 120.400 -0.409 0.000 2.103 16 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 16 K C 2.171 178.558 176.600 -0.355 0.000 1.048 16 K CA 1.654 57.489 56.287 -0.753 0.000 0.930 16 K CB -0.091 31.892 32.500 -0.862 0.000 0.716 16 K HN 0.553 nan 8.250 nan 0.000 0.444 17 S N 0.008 115.585 115.700 -0.205 0.000 2.336 17 S HA -0.075 4.395 4.470 -0.000 0.000 0.216 17 S C 1.913 176.502 174.600 -0.019 0.000 1.032 17 S CA 1.056 59.189 58.200 -0.111 0.000 0.973 17 S CB -0.141 62.993 63.200 -0.111 0.000 0.888 17 S HN 0.066 nan 8.310 nan 0.000 0.455 18 V N 1.966 121.910 119.914 0.049 0.000 2.759 18 V HA 0.025 4.145 4.120 -0.000 0.000 0.256 18 V C 0.681 176.843 176.094 0.114 0.000 1.080 18 V CA 1.049 63.407 62.300 0.097 0.000 1.101 18 V CB -0.901 31.016 31.823 0.156 0.000 0.698 18 V HN 0.297 nan 8.190 nan 0.000 0.477 19 L N 1.666 122.970 121.223 0.134 0.000 2.309 19 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 19 L C -2.169 174.789 176.870 0.147 0.000 1.036 19 L CA -1.987 52.968 54.840 0.192 0.000 0.806 19 L CB 1.061 43.325 42.059 0.341 0.000 1.220 19 L HN -0.004 nan 8.230 nan 0.000 0.429 20 P HA -0.068 nan 4.420 nan 0.000 0.264 20 P C 0.291 177.694 177.300 0.173 0.000 1.183 20 P CA 0.015 63.186 63.100 0.119 0.000 0.763 20 P CB 0.782 32.542 31.700 0.101 0.000 0.807 21 K N 2.190 122.677 120.400 0.145 0.000 2.077 21 K HA -0.236 4.084 4.320 -0.000 0.000 0.213 21 K C 2.063 178.803 176.600 0.234 0.000 1.051 21 K CA 2.174 58.579 56.287 0.196 0.000 0.929 21 K CB -0.403 32.177 32.500 0.133 0.000 0.715 21 K HN 0.322 nan 8.250 nan 0.000 0.451 22 S N 0.373 116.185 115.700 0.186 0.000 2.374 22 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 22 S C 1.872 176.644 174.600 0.287 0.000 1.037 22 S CA 1.571 59.898 58.200 0.213 0.000 1.024 22 S CB -0.157 63.143 63.200 0.167 0.000 0.861 22 S HN 0.322 nan 8.310 nan 0.000 0.456 23 I N -0.578 120.153 120.570 0.269 0.000 2.277 23 I HA -0.079 4.091 4.170 -0.000 0.000 0.243 23 I C 2.136 178.425 176.117 0.287 0.000 1.094 23 I CA 1.100 62.557 61.300 0.261 0.000 1.393 23 I CB -0.424 37.707 38.000 0.219 0.000 1.078 23 I HN 0.370 nan 8.210 nan 0.000 0.417 24 Y N 2.114 122.581 120.300 0.278 0.000 2.165 24 Y HA -0.332 4.218 4.550 -0.000 0.000 0.286 24 Y C 2.095 178.176 175.900 0.301 0.000 1.155 24 Y CA 1.844 60.159 58.100 0.359 0.000 1.164 24 Y CB -0.357 38.231 38.460 0.214 0.000 0.978 24 Y HN 0.197 nan 8.280 nan 0.000 0.513 25 D N -0.950 119.518 120.400 0.114 0.000 2.144 25 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 25 D C 1.918 178.170 176.300 -0.080 0.000 0.984 25 D CA 1.539 55.522 54.000 -0.029 0.000 0.834 25 D CB -0.748 40.097 40.800 0.074 0.000 0.955 25 D HN 0.554 nan 8.370 nan 0.000 0.465 26 Y N 0.442 120.627 120.300 -0.192 0.000 2.181 26 Y HA -0.303 4.247 4.550 -0.000 0.000 0.288 26 Y C 1.855 177.626 175.900 -0.216 0.000 1.146 26 Y CA 1.534 59.406 58.100 -0.380 0.000 1.164 26 Y CB -0.511 37.543 38.460 -0.677 0.000 0.982 26 Y HN -0.059 nan 8.280 nan 0.000 0.515 27 Y N 0.210 120.376 120.300 -0.222 0.000 2.314 27 Y HA -0.037 4.514 4.550 0.000 0.000 0.293 27 Y C 2.793 178.550 175.900 -0.238 0.000 1.129 27 Y CA 1.383 59.302 58.100 -0.302 0.000 1.201 27 Y CB -0.593 37.844 38.460 -0.038 0.000 0.999 27 Y HN 0.129 nan 8.280 nan 0.000 0.541 28 R N 0.303 120.797 120.500 -0.010 0.000 2.080 28 R HA 0.016 4.356 4.340 -0.000 0.000 0.222 28 R C 0.554 176.814 176.300 -0.065 0.000 1.107 28 R CA 0.539 56.624 56.100 -0.024 0.000 0.980 28 R CB -0.173 29.922 30.300 -0.343 0.000 0.879 28 R HN 0.153 nan 8.270 nan 0.000 0.439 29 S N 0.287 115.910 115.700 -0.128 0.000 2.561 29 S HA 0.125 4.595 4.470 -0.000 0.000 0.294 29 S C 0.412 174.963 174.600 -0.081 0.000 1.294 29 S CA 0.170 58.308 58.200 -0.103 0.000 1.055 29 S CB 1.216 64.334 63.200 -0.137 0.000 0.819 29 S HN 0.477 nan 8.310 nan 0.000 0.503 30 G N 0.320 109.093 108.800 -0.044 0.000 2.671 30 G HA2 0.683 4.643 3.960 -0.000 0.000 0.275 30 G HA3 0.683 4.643 3.960 -0.000 0.000 0.275 30 G C -0.626 174.249 174.900 -0.041 0.000 1.368 30 G CA -0.559 44.523 45.100 -0.031 0.000 1.044 30 G HN 0.968 nan 8.290 nan 0.000 0.543 31 A N -0.622 122.180 122.820 -0.030 0.000 2.306 31 A HA 0.600 4.920 4.320 -0.000 0.000 0.314 31 A C 0.957 178.528 177.584 -0.021 0.000 1.164 31 A CA -0.100 51.917 52.037 -0.034 0.000 0.822 31 A CB 0.108 19.087 19.000 -0.034 0.000 1.130 31 A HN 0.889 nan 8.150 nan 0.000 0.496 32 N N 0.850 119.536 118.700 -0.023 0.000 1.194 32 N HA -0.241 4.499 4.740 -0.000 0.000 0.131 32 N C -0.034 175.471 175.510 -0.008 0.000 0.688 32 N CA 1.861 54.902 53.050 -0.015 0.000 0.927 32 N CB -0.848 37.631 38.487 -0.013 0.000 1.224 32 N HN 0.784 nan 8.380 nan 0.000 0.529 33 D N 2.667 123.065 120.400 -0.002 0.000 2.363 33 D HA 0.032 4.672 4.640 -0.000 0.000 0.226 33 D C 0.014 176.318 176.300 0.008 0.000 1.020 33 D CA 0.643 54.645 54.000 0.003 0.000 0.892 33 D CB -0.330 40.473 40.800 0.005 0.000 0.900 33 D HN 0.453 nan 8.370 nan 0.000 0.531 34 E N -0.434 119.770 120.200 0.006 0.000 2.476 34 E HA -0.271 4.079 4.350 -0.000 0.000 0.251 34 E C 0.615 177.227 176.600 0.021 0.000 1.130 34 E CA 0.310 56.717 56.400 0.012 0.000 0.736 34 E CB -1.271 28.437 29.700 0.013 0.000 1.298 34 E HN 0.460 nan 8.360 nan 0.000 0.400 35 E N -0.370 119.841 120.200 0.019 0.000 2.072 35 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 35 E C 1.877 178.495 176.600 0.030 0.000 0.985 35 E CA 1.698 58.111 56.400 0.023 0.000 0.801 35 E CB 0.043 29.753 29.700 0.018 0.000 0.750 35 E HN 0.289 nan 8.360 nan 0.000 0.452 36 T N 1.380 115.952 114.554 0.029 0.000 2.904 36 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 36 T C 1.789 176.518 174.700 0.048 0.000 1.059 36 T CA 0.378 62.501 62.100 0.037 0.000 1.137 36 T CB -0.124 68.765 68.868 0.035 0.000 0.879 36 T HN 0.004 nan 8.240 nan 0.000 0.467 37 L N 1.655 122.904 121.223 0.043 0.000 2.012 37 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 37 L C 2.628 179.539 176.870 0.068 0.000 1.073 37 L CA 1.993 56.864 54.840 0.053 0.000 0.748 37 L CB -0.912 41.171 42.059 0.040 0.000 0.891 37 L HN 0.241 nan 8.230 nan 0.000 0.431 38 A N -1.324 121.532 122.820 0.060 0.000 1.898 38 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 38 A C 2.106 179.736 177.584 0.076 0.000 1.181 38 A CA 1.734 53.811 52.037 0.066 0.000 0.620 38 A CB -0.850 18.181 19.000 0.052 0.000 0.819 38 A HN 0.528 nan 8.150 nan 0.000 0.442 39 D N -0.124 120.315 120.400 0.065 0.000 2.144 39 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 39 D C 1.653 178.003 176.300 0.082 0.000 0.978 39 D CA 1.046 55.084 54.000 0.063 0.000 0.833 39 D CB -0.240 40.587 40.800 0.045 0.000 0.961 39 D HN 0.302 nan 8.370 nan 0.000 0.470 40 N N 0.129 118.885 118.700 0.094 0.000 2.091 40 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 40 N C 1.695 177.351 175.510 0.242 0.000 1.021 40 N CA 0.788 53.917 53.050 0.133 0.000 0.862 40 N CB -0.141 38.428 38.487 0.135 0.000 1.018 40 N HN 0.317 nan 8.380 nan 0.000 0.429 41 I N 0.281 120.982 120.570 0.219 0.000 2.235 41 I HA -0.037 4.133 4.170 -0.000 0.000 0.241 41 I C 2.250 178.524 176.117 0.263 0.000 1.085 41 I CA 0.696 62.154 61.300 0.263 0.000 1.378 41 I CB -1.525 36.575 38.000 0.167 0.000 1.076 41 I HN 0.002 nan 8.210 nan 0.000 0.415 42 A N 1.252 124.173 122.820 0.168 0.000 1.908 42 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 42 A C 2.563 180.231 177.584 0.141 0.000 1.181 42 A CA 2.063 54.180 52.037 0.134 0.000 0.627 42 A CB -0.808 18.243 19.000 0.086 0.000 0.818 42 A HN 0.422 nan 8.150 nan 0.000 0.445 43 A N -1.175 121.713 122.820 0.113 0.000 1.940 43 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 43 A C 1.955 179.637 177.584 0.162 0.000 1.176 43 A CA 1.494 53.577 52.037 0.078 0.000 0.631 43 A CB -0.828 18.176 19.000 0.007 0.000 0.814 43 A HN 0.511 nan 8.150 nan 0.000 0.446 44 F N 0.536 120.616 119.950 0.216 0.000 2.202 44 F HA -0.184 4.343 4.527 0.000 0.000 0.301 44 F C 2.751 178.679 175.800 0.214 0.000 1.082 44 F CA 1.611 59.743 58.000 0.221 0.000 1.313 44 F CB -0.122 38.953 39.000 0.126 0.000 1.024 44 F HN 0.154 nan 8.300 nan 0.000 0.495 45 S N -0.567 115.320 115.700 0.312 0.000 2.423 45 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 45 S C 1.837 176.527 174.600 0.150 0.000 1.014 45 S CA 0.701 59.022 58.200 0.201 0.000 0.965 45 S CB -0.205 63.077 63.200 0.137 0.000 0.785 45 S HN 0.332 nan 8.310 nan 0.000 0.495 46 R N -0.707 119.862 120.500 0.116 0.000 2.275 46 R HA 0.037 4.377 4.340 -0.000 0.000 0.199 46 R C -0.522 175.729 176.300 -0.082 0.000 0.989 46 R CA 0.263 56.350 56.100 -0.021 0.000 1.016 46 R CB 0.096 30.326 30.300 -0.117 0.000 0.918 46 R HN 0.358 nan 8.270 nan 0.000 0.473 47 W N 2.396 123.737 121.300 0.068 0.000 2.342 47 W HA 0.224 4.884 4.660 0.000 0.000 0.310 47 W C 0.110 176.700 176.519 0.118 0.000 1.128 47 W CA -0.534 56.864 57.345 0.087 0.000 1.322 47 W CB 0.772 30.278 29.460 0.077 0.000 1.251 47 W HN -0.379 nan 8.180 nan 0.000 0.439 48 K N 4.250 124.847 120.400 0.329 0.000 2.110 48 K HA 0.501 4.821 4.320 -0.000 0.000 0.263 48 K C -0.551 176.221 176.600 0.286 0.000 0.975 48 K CA -0.950 55.472 56.287 0.226 0.000 0.895 48 K CB 1.690 34.261 32.500 0.118 0.000 1.060 48 K HN 0.418 nan 8.250 nan 0.000 0.448 49 L N 2.626 123.914 121.223 0.108 0.000 2.289 49 L HA 0.318 4.658 4.340 -0.000 0.000 0.285 49 L C -0.549 176.294 176.870 -0.045 0.000 1.049 49 L CA -0.656 54.263 54.840 0.131 0.000 0.804 49 L CB 0.398 42.511 42.059 0.090 0.000 1.195 49 L HN 0.495 nan 8.230 nan 0.000 0.428 50 Y N 3.555 123.898 120.300 0.071 0.000 2.919 50 Y HA 0.269 4.819 4.550 -0.000 0.000 0.341 50 Y C -1.871 174.053 175.900 0.040 0.000 1.045 50 Y CA -2.287 55.844 58.100 0.052 0.000 1.218 50 Y CB 0.463 38.955 38.460 0.053 0.000 1.137 50 Y HN 0.407 nan 8.280 nan 0.000 0.577 51 P HA 0.133 nan 4.420 nan 0.000 0.271 51 P C -0.366 176.972 177.300 0.065 0.000 1.216 51 P CA -0.197 62.943 63.100 0.066 0.000 0.776 51 P CB 1.106 32.822 31.700 0.026 0.000 0.881 52 R N 2.491 123.022 120.500 0.051 0.000 2.357 52 R HA 0.439 4.779 4.340 -0.000 0.000 0.296 52 R C 0.374 176.688 176.300 0.022 0.000 1.052 52 R CA -0.660 55.463 56.100 0.039 0.000 0.988 52 R CB 0.649 30.968 30.300 0.033 0.000 1.025 52 R HN 0.463 nan 8.270 nan 0.000 0.469 53 M N 3.010 122.622 119.600 0.020 0.000 2.528 53 M HA 0.269 4.749 4.480 -0.000 0.000 0.318 53 M C 0.446 176.751 176.300 0.008 0.000 1.195 53 M CA -0.741 54.566 55.300 0.011 0.000 1.000 53 M CB 0.714 33.321 32.600 0.012 0.000 1.615 53 M HN 0.586 nan 8.290 nan 0.000 0.469 54 L N 0.930 122.155 121.223 0.003 0.000 3.533 54 L HA -0.259 4.081 4.340 -0.000 0.000 0.477 54 L C -0.258 176.613 176.870 0.001 0.000 1.306 54 L CA 0.358 55.199 54.840 0.002 0.000 0.850 54 L CB -1.583 40.478 42.059 0.003 0.000 1.654 54 L HN 0.698 nan 8.230 nan 0.000 0.863 55 R N 0.390 120.889 120.500 -0.002 0.000 2.778 55 R HA 0.390 4.730 4.340 -0.000 0.000 0.277 55 R C 0.211 176.506 176.300 -0.008 0.000 0.977 55 R CA -0.998 55.100 56.100 -0.003 0.000 0.950 55 R CB 1.237 31.535 30.300 -0.003 0.000 1.165 55 R HN 0.084 nan 8.270 nan 0.000 0.474 56 N N 2.247 120.943 118.700 -0.008 0.000 2.416 56 N HA -0.003 4.737 4.740 -0.000 0.000 0.265 56 N C 0.215 175.716 175.510 -0.016 0.000 1.195 56 N CA 0.137 53.181 53.050 -0.010 0.000 0.943 56 N CB 0.840 39.322 38.487 -0.008 0.000 1.115 56 N HN 0.477 nan 8.380 nan 0.000 0.481 57 V N 2.042 121.944 119.914 -0.020 0.000 2.887 57 V HA 0.450 4.570 4.120 -0.000 0.000 0.370 57 V C 1.355 177.432 176.094 -0.028 0.000 1.322 57 V CA -0.005 62.278 62.300 -0.029 0.000 1.267 57 V CB -0.176 31.625 31.823 -0.038 0.000 1.344 57 V HN 0.511 nan 8.190 nan 0.000 0.573 58 A N 0.508 123.316 122.820 -0.021 0.000 1.872 58 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 58 A C 1.354 178.926 177.584 -0.019 0.000 1.187 58 A CA 1.138 53.164 52.037 -0.018 0.000 0.614 58 A CB -0.094 18.898 19.000 -0.013 0.000 0.826 58 A HN 0.539 nan 8.150 nan 0.000 0.442 59 E N 1.353 121.541 120.200 -0.019 0.000 3.170 59 E HA 0.195 4.545 4.350 -0.000 0.000 0.212 59 E C -0.968 175.619 176.600 -0.023 0.000 1.143 59 E CA -0.198 56.192 56.400 -0.017 0.000 1.139 59 E CB -0.076 29.617 29.700 -0.012 0.000 1.346 59 E HN 0.233 nan 8.360 nan 0.000 0.432 60 T N 1.825 116.359 114.554 -0.034 0.000 2.793 60 T HA -0.015 4.335 4.350 -0.000 0.000 0.289 60 T C 0.032 174.709 174.700 -0.038 0.000 0.956 60 T CA 0.343 62.413 62.100 -0.050 0.000 1.177 60 T CB 0.179 69.000 68.868 -0.078 0.000 0.897 60 T HN 0.105 nan 8.240 nan 0.000 0.533 61 D N 3.073 123.456 120.400 -0.029 0.000 2.349 61 D HA 0.285 4.925 4.640 -0.000 0.000 0.232 61 D C 0.288 176.593 176.300 0.009 0.000 1.071 61 D CA -0.718 53.278 54.000 -0.006 0.000 0.832 61 D CB 0.956 41.757 40.800 0.002 0.000 1.086 61 D HN 0.141 nan 8.370 nan 0.000 0.504 62 L N 2.404 123.649 121.223 0.036 0.000 2.607 62 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 62 L C 0.726 177.666 176.870 0.117 0.000 1.123 62 L CA 0.176 55.080 54.840 0.106 0.000 0.890 62 L CB -0.603 41.543 42.059 0.146 0.000 1.103 62 L HN 0.391 nan 8.230 nan 0.000 0.468 63 S N -1.955 113.786 115.700 0.069 0.000 2.562 63 S HA 0.432 4.902 4.470 -0.000 0.000 0.281 63 S C 0.342 174.981 174.600 0.065 0.000 1.333 63 S CA -0.251 57.984 58.200 0.059 0.000 1.052 63 S CB 1.698 64.921 63.200 0.039 0.000 0.884 63 S HN 0.220 nan 8.310 nan 0.000 0.506 64 T N 0.217 114.809 114.554 0.063 0.000 2.598 64 T HA 0.723 5.073 4.350 -0.000 0.000 0.289 64 T C -1.323 173.419 174.700 0.070 0.000 1.056 64 T CA -0.077 62.061 62.100 0.065 0.000 1.088 64 T CB 0.974 69.884 68.868 0.070 0.000 1.519 64 T HN 1.345 nan 8.240 nan 0.000 0.488 65 S N 0.107 115.858 115.700 0.084 0.000 2.546 65 S HA 0.733 5.203 4.470 -0.000 0.000 0.274 65 S C -1.657 173.035 174.600 0.153 0.000 1.121 65 S CA -0.613 57.652 58.200 0.108 0.000 0.887 65 S CB 1.581 64.836 63.200 0.091 0.000 1.094 65 S HN 0.568 nan 8.310 nan 0.000 0.474 66 V N 3.870 123.905 119.914 0.200 0.000 2.350 66 V HA 0.459 4.579 4.120 -0.000 0.000 0.285 66 V C 0.149 176.390 176.094 0.245 0.000 1.014 66 V CA -0.790 61.660 62.300 0.250 0.000 0.831 66 V CB 0.369 32.312 31.823 0.199 0.000 1.000 66 V HN 1.031 nan 8.190 nan 0.000 0.433 67 L N 5.241 126.604 121.223 0.234 0.000 3.634 67 L HA -0.270 4.070 4.340 -0.000 0.000 0.423 67 L C 1.385 178.339 176.870 0.139 0.000 1.253 67 L CA 0.742 55.682 54.840 0.168 0.000 0.885 67 L CB -1.763 40.373 42.059 0.129 0.000 1.789 67 L HN 1.092 nan 8.230 nan 0.000 0.904 68 G N -2.459 106.415 108.800 0.122 0.000 2.258 68 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.233 68 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.233 68 G C 0.196 175.156 174.900 0.100 0.000 1.006 68 G CA 0.204 45.361 45.100 0.095 0.000 0.620 68 G HN 0.374 nan 8.290 nan 0.000 0.511 69 Q N 0.659 120.543 119.800 0.141 0.000 2.278 69 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 69 Q C 0.339 176.408 176.000 0.116 0.000 0.928 69 Q CA -0.731 55.148 55.803 0.126 0.000 0.932 69 Q CB 1.839 30.677 28.738 0.166 0.000 1.221 69 Q HN 0.370 nan 8.270 nan 0.000 0.434 70 R N 1.107 121.649 120.500 0.070 0.000 2.623 70 R HA 0.267 4.607 4.340 -0.000 0.000 0.271 70 R C -0.485 175.848 176.300 0.055 0.000 1.043 70 R CA 0.108 56.242 56.100 0.057 0.000 1.083 70 R CB 0.357 30.677 30.300 0.032 0.000 0.974 70 R HN 0.500 nan 8.270 nan 0.000 0.436 71 V N 0.503 120.451 119.914 0.057 0.000 3.049 71 V HA 0.421 4.541 4.120 -0.000 0.000 0.309 71 V C 0.545 176.658 176.094 0.031 0.000 1.148 71 V CA -0.188 62.138 62.300 0.043 0.000 0.990 71 V CB 2.019 33.885 31.823 0.072 0.000 1.039 71 V HN 0.844 nan 8.190 nan 0.000 0.430 72 S N 2.148 117.858 115.700 0.016 0.000 2.496 72 S HA 0.261 4.731 4.470 -0.000 0.000 0.224 72 S C 0.482 175.105 174.600 0.038 0.000 0.996 72 S CA 0.813 59.025 58.200 0.021 0.000 0.927 72 S CB -0.456 62.748 63.200 0.007 0.000 0.774 72 S HN 1.277 nan 8.310 nan 0.000 0.524 73 M N -1.561 118.056 119.600 0.029 0.000 2.562 73 M HA 0.480 4.960 4.480 -0.000 0.000 0.281 73 M C -3.199 173.080 176.300 -0.035 0.000 1.195 73 M CA -1.697 53.624 55.300 0.035 0.000 0.888 73 M CB 1.696 34.317 32.600 0.035 0.000 1.731 73 M HN -0.310 nan 8.290 nan 0.000 0.493 74 P HA 0.366 nan 4.420 nan 0.000 0.235 74 P C -0.951 176.175 177.300 -0.289 0.000 1.725 74 P CA 0.288 63.287 63.100 -0.167 0.000 0.894 74 P CB -0.620 30.980 31.700 -0.165 0.000 1.704 75 I N 0.218 120.638 120.570 -0.249 0.000 2.468 75 I HA 0.300 4.470 4.170 -0.000 0.000 0.284 75 I C -0.164 175.827 176.117 -0.209 0.000 1.038 75 I CA -0.568 60.574 61.300 -0.265 0.000 1.083 75 I CB 1.576 39.440 38.000 -0.227 0.000 1.223 75 I HN -0.020 nan 8.210 nan 0.000 0.443 76 C N 4.594 123.716 119.300 -0.298 0.000 2.719 76 C HA 0.598 5.058 4.460 -0.000 0.000 0.327 76 C C 0.285 175.279 174.990 0.007 0.000 1.238 76 C CA -0.862 58.071 59.018 -0.142 0.000 1.727 76 C CB 2.108 29.744 27.740 -0.173 0.000 2.256 76 C HN 0.416 nan 8.230 nan 0.000 0.489 77 V N 2.457 122.454 119.914 0.139 0.000 2.432 77 V HA 0.506 4.626 4.120 -0.000 0.000 0.271 77 V C 0.982 177.208 176.094 0.219 0.000 1.046 77 V CA 0.473 62.843 62.300 0.117 0.000 0.945 77 V CB 0.769 32.613 31.823 0.035 0.000 0.992 77 V HN 1.093 nan 8.190 nan 0.000 0.471 78 G N 3.461 112.334 108.800 0.122 0.000 2.562 78 G HA2 0.544 4.504 3.960 -0.000 0.000 0.275 78 G HA3 0.544 4.504 3.960 -0.000 0.000 0.275 78 G C 0.050 174.879 174.900 -0.119 0.000 1.196 78 G CA -0.204 44.864 45.100 -0.052 0.000 0.908 78 G HN 1.078 nan 8.290 nan 0.000 0.524 79 A N 0.677 123.365 122.820 -0.220 0.000 2.444 79 A HA 0.575 4.895 4.320 -0.000 0.000 0.273 79 A C 0.672 178.208 177.584 -0.081 0.000 1.136 79 A CA 0.290 52.244 52.037 -0.138 0.000 0.799 79 A CB -0.327 18.563 19.000 -0.183 0.000 1.081 79 A HN 1.288 nan 8.150 nan 0.000 0.509 80 T N 0.517 115.064 114.554 -0.013 0.000 2.881 80 T HA 0.684 5.034 4.350 -0.000 0.000 0.291 80 T C -0.082 174.709 174.700 0.151 0.000 0.990 80 T CA -0.000 62.127 62.100 0.045 0.000 0.976 80 T CB 1.249 70.096 68.868 -0.034 0.000 0.970 80 T HN 1.384 nan 8.240 nan 0.000 0.438 81 A N 4.659 127.632 122.820 0.254 0.000 2.466 81 A HA 0.576 4.896 4.320 -0.000 0.000 0.238 81 A C 1.058 178.853 177.584 0.350 0.000 1.074 81 A CA -0.456 51.774 52.037 0.322 0.000 0.774 81 A CB -0.695 18.540 19.000 0.391 0.000 1.015 81 A HN 1.308 nan 8.150 nan 0.000 0.498 82 M N 0.162 119.933 119.600 0.285 0.000 2.399 82 M HA -0.210 4.270 4.480 -0.000 0.000 0.191 82 M C 0.602 177.088 176.300 0.309 0.000 0.732 82 M CA 0.728 56.179 55.300 0.252 0.000 0.512 82 M CB -1.704 31.007 32.600 0.185 0.000 1.191 82 M HN 0.924 nan 8.290 nan 0.000 0.894 83 Q N -0.366 119.575 119.800 0.234 0.000 2.435 83 Q HA -0.005 4.335 4.340 -0.000 0.000 0.207 83 Q C 1.787 177.917 176.000 0.215 0.000 0.956 83 Q CA 0.840 56.766 55.803 0.205 0.000 0.917 83 Q CB 0.141 28.946 28.738 0.111 0.000 0.997 83 Q HN 0.619 nan 8.270 nan 0.000 0.497 84 R N -0.096 120.518 120.500 0.189 0.000 2.276 84 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 84 R C 1.868 178.267 176.300 0.166 0.000 1.017 84 R CA 0.489 56.685 56.100 0.160 0.000 1.010 84 R CB 0.116 30.482 30.300 0.110 0.000 0.900 84 R HN 0.296 nan 8.270 nan 0.000 0.469 85 M N -0.746 118.982 119.600 0.214 0.000 2.374 85 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 85 M C 2.142 178.635 176.300 0.320 0.000 1.067 85 M CA 1.371 56.803 55.300 0.219 0.000 1.103 85 M CB 0.030 32.752 32.600 0.204 0.000 1.402 85 M HN 0.185 nan 8.290 nan 0.000 0.444 86 A N -1.418 121.634 122.820 0.388 0.000 1.984 86 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 86 A C 0.861 178.641 177.584 0.327 0.000 1.173 86 A CA 0.837 53.105 52.037 0.385 0.000 0.673 86 A CB 0.141 19.301 19.000 0.266 0.000 0.830 86 A HN 0.503 nan 8.150 nan 0.000 0.453 87 H N -1.830 117.332 119.070 0.153 0.000 3.112 87 H HA 0.204 4.760 4.556 0.000 0.000 0.347 87 H C 0.582 175.960 175.328 0.084 0.000 1.188 87 H CA -0.024 56.089 56.048 0.108 0.000 1.240 87 H CB 1.572 31.391 29.762 0.095 0.000 1.920 87 H HN -0.104 nan 8.280 nan 0.000 0.535 88 V N 2.572 122.409 119.914 -0.129 0.000 2.313 88 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 88 V C 1.658 177.840 176.094 0.147 0.000 1.070 88 V CA 2.402 64.698 62.300 -0.006 0.000 1.057 88 V CB -0.218 31.544 31.823 -0.102 0.000 0.653 88 V HN 0.683 nan 8.190 nan 0.000 0.450 89 D N -0.377 120.230 120.400 0.345 0.000 2.323 89 D HA 0.142 4.782 4.640 -0.000 0.000 0.209 89 D C 1.746 178.137 176.300 0.153 0.000 0.973 89 D CA 1.058 55.190 54.000 0.220 0.000 0.874 89 D CB -0.005 40.915 40.800 0.200 0.000 0.930 89 D HN 0.485 nan 8.370 nan 0.000 0.521 90 G N 1.983 110.895 108.800 0.187 0.000 2.698 90 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.337 90 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.337 90 G C 1.104 176.049 174.900 0.076 0.000 1.286 90 G CA 1.105 46.283 45.100 0.131 0.000 1.000 90 G HN 0.260 nan 8.290 nan 0.000 0.547 91 E N 0.474 120.717 120.200 0.072 0.000 2.118 91 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 91 E C 2.720 179.339 176.600 0.032 0.000 0.992 91 E CA 1.424 57.855 56.400 0.051 0.000 0.804 91 E CB -0.250 29.488 29.700 0.064 0.000 0.741 91 E HN 0.521 nan 8.360 nan 0.000 0.458 92 L N -0.134 121.111 121.223 0.037 0.000 2.083 92 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 92 L C 2.404 179.276 176.870 0.003 0.000 1.083 92 L CA 1.033 55.886 54.840 0.022 0.000 0.752 92 L CB -0.576 41.502 42.059 0.032 0.000 0.899 92 L HN 0.157 nan 8.230 nan 0.000 0.433 93 A N -0.044 122.777 122.820 0.002 0.000 1.902 93 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 93 A C 2.390 179.947 177.584 -0.044 0.000 1.181 93 A CA 2.251 54.266 52.037 -0.037 0.000 0.623 93 A CB -0.856 18.090 19.000 -0.090 0.000 0.818 93 A HN 0.387 nan 8.150 nan 0.000 0.443 94 T N -0.727 113.808 114.554 -0.032 0.000 2.674 94 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 94 T C 1.853 176.527 174.700 -0.043 0.000 1.039 94 T CA 1.489 63.567 62.100 -0.037 0.000 1.150 94 T CB -0.678 68.175 68.868 -0.025 0.000 0.864 94 T HN 0.169 nan 8.240 nan 0.000 0.427 95 V N 1.573 121.464 119.914 -0.038 0.000 2.392 95 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 95 V C 2.569 178.624 176.094 -0.066 0.000 1.059 95 V CA 1.731 63.996 62.300 -0.059 0.000 1.051 95 V CB -0.439 31.351 31.823 -0.054 0.000 0.658 95 V HN 0.389 nan 8.190 nan 0.000 0.455 96 R N -0.212 120.258 120.500 -0.050 0.000 2.075 96 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 96 R C 2.430 178.700 176.300 -0.049 0.000 1.126 96 R CA 1.385 57.457 56.100 -0.047 0.000 0.963 96 R CB -0.637 29.642 30.300 -0.035 0.000 0.858 96 R HN 0.580 nan 8.270 nan 0.000 0.435 97 A N 0.777 123.567 122.820 -0.049 0.000 1.908 97 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 97 A C 2.410 179.962 177.584 -0.054 0.000 1.181 97 A CA 1.541 53.550 52.037 -0.047 0.000 0.627 97 A CB -0.937 18.034 19.000 -0.048 0.000 0.818 97 A HN 0.454 nan 8.150 nan 0.000 0.445 98 C N -1.220 118.041 119.300 -0.065 0.000 2.413 98 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 98 C C 2.874 177.812 174.990 -0.086 0.000 1.236 98 C CA 1.378 60.348 59.018 -0.080 0.000 1.735 98 C CB -1.285 26.394 27.740 -0.101 0.000 2.031 98 C HN 0.784 nan 8.230 nan 0.000 0.474 99 Q N 0.611 120.360 119.800 -0.086 0.000 2.096 99 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 99 Q C 2.245 178.209 176.000 -0.060 0.000 0.982 99 Q CA 2.023 57.778 55.803 -0.081 0.000 0.850 99 Q CB -0.101 28.590 28.738 -0.078 0.000 0.901 99 Q HN 0.643 nan 8.270 nan 0.000 0.422 100 S N 0.270 115.941 115.700 -0.049 0.000 2.383 100 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 100 S C 1.666 176.245 174.600 -0.034 0.000 1.030 100 S CA 1.089 59.267 58.200 -0.036 0.000 1.002 100 S CB -0.079 63.103 63.200 -0.030 0.000 0.829 100 S HN 0.314 nan 8.310 nan 0.000 0.467 101 L N 0.116 121.315 121.223 -0.040 0.000 2.477 101 L HA 0.277 4.617 4.340 -0.000 0.000 0.220 101 L C 1.503 178.353 176.870 -0.034 0.000 1.106 101 L CA 0.614 55.434 54.840 -0.033 0.000 0.851 101 L CB -0.194 41.844 42.059 -0.035 0.000 0.994 101 L HN 0.451 nan 8.230 nan 0.000 0.462 102 G N -0.153 108.619 108.800 -0.047 0.000 2.160 102 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 102 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 102 G C 0.344 175.216 174.900 -0.047 0.000 1.022 102 G CA 0.441 45.513 45.100 -0.047 0.000 0.741 102 G HN 0.287 nan 8.290 nan 0.000 0.508 103 T N -0.978 113.538 114.554 -0.063 0.000 2.949 103 T HA 0.743 5.093 4.350 -0.000 0.000 0.287 103 T C 0.885 175.509 174.700 -0.127 0.000 1.034 103 T CA 0.668 62.733 62.100 -0.058 0.000 1.018 103 T CB 1.395 70.237 68.868 -0.043 0.000 1.135 103 T HN 1.234 nan 8.240 nan 0.000 0.532 104 G N 1.779 110.497 108.800 -0.135 0.000 2.425 104 G HA2 0.558 4.518 3.960 -0.000 0.000 0.302 104 G HA3 0.558 4.518 3.960 -0.000 0.000 0.302 104 G C -0.766 173.948 174.900 -0.310 0.000 1.159 104 G CA -0.594 44.183 45.100 -0.538 0.000 0.865 104 G HN 0.734 nan 8.290 nan 0.000 0.515 105 M N 2.792 122.131 119.600 -0.434 0.000 2.227 105 M HA 0.456 4.936 4.480 -0.000 0.000 0.335 105 M C -0.542 175.806 176.300 0.079 0.000 1.053 105 M CA -0.721 54.529 55.300 -0.084 0.000 0.973 105 M CB 1.755 34.298 32.600 -0.095 0.000 1.623 105 M HN 0.513 nan 8.290 nan 0.000 0.434 106 M N 5.775 125.550 119.600 0.293 0.000 2.084 106 M HA 0.267 4.747 4.480 -0.000 0.000 0.351 106 M C -1.463 174.885 176.300 0.080 0.000 1.240 106 M CA -0.831 54.597 55.300 0.214 0.000 1.083 106 M CB 0.748 33.238 32.600 -0.184 0.000 1.593 106 M HN 0.700 nan 8.290 nan 0.000 0.463 107 L N 4.880 126.184 121.223 0.134 0.000 2.331 107 L HA 0.320 4.660 4.340 -0.000 0.000 0.278 107 L C -0.072 176.823 176.870 0.042 0.000 1.106 107 L CA 0.647 55.547 54.840 0.100 0.000 0.824 107 L CB 1.374 43.530 42.059 0.163 0.000 1.142 107 L HN 0.749 nan 8.230 nan 0.000 0.443 108 S N 2.474 118.202 115.700 0.047 0.000 2.617 108 S HA 0.459 4.929 4.470 -0.000 0.000 0.269 108 S C 0.116 174.775 174.600 0.097 0.000 1.292 108 S CA -0.259 57.978 58.200 0.061 0.000 1.010 108 S CB 0.487 63.752 63.200 0.108 0.000 0.944 108 S HN 0.924 nan 8.310 nan 0.000 0.536 109 S N 3.484 119.270 115.700 0.142 0.000 2.585 109 S HA 0.188 4.658 4.470 -0.000 0.000 0.273 109 S C 0.080 174.914 174.600 0.389 0.000 1.339 109 S CA -0.382 57.937 58.200 0.198 0.000 1.028 109 S CB -0.248 63.155 63.200 0.339 0.000 0.906 109 S HN 0.914 nan 8.310 nan 0.000 0.528 110 W N -0.197 121.209 121.300 0.178 0.000 5.770 110 W HA -0.229 4.430 4.660 -0.000 0.000 0.389 110 W C 0.518 177.099 176.519 0.103 0.000 1.469 110 W CA 0.333 57.752 57.345 0.124 0.000 0.975 110 W CB -2.184 27.358 29.460 0.137 0.000 2.622 110 W HN 1.062 nan 8.180 nan 0.000 1.500 111 A N 0.409 123.359 122.820 0.216 0.000 2.407 111 A HA 0.495 4.815 4.320 -0.000 0.000 0.248 111 A C 1.302 178.968 177.584 0.137 0.000 1.082 111 A CA 0.730 52.865 52.037 0.164 0.000 0.785 111 A CB 0.361 19.426 19.000 0.108 0.000 1.020 111 A HN 0.357 nan 8.150 nan 0.000 0.489 112 T N -0.413 114.218 114.554 0.130 0.000 3.324 112 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 112 T C 0.264 175.010 174.700 0.077 0.000 1.059 112 T CA 0.284 62.444 62.100 0.101 0.000 0.951 112 T CB -0.693 68.237 68.868 0.103 0.000 1.030 112 T HN 0.442 nan 8.240 nan 0.000 0.576 113 S N 1.059 116.802 115.700 0.071 0.000 2.556 113 S HA 0.626 5.096 4.470 -0.000 0.000 0.271 113 S C -0.253 174.375 174.600 0.046 0.000 1.135 113 S CA -1.076 57.158 58.200 0.057 0.000 0.858 113 S CB 2.015 65.252 63.200 0.061 0.000 1.114 113 S HN 0.576 nan 8.310 nan 0.000 0.468 114 S N 0.737 116.458 115.700 0.036 0.000 2.617 114 S HA 0.480 4.950 4.470 -0.000 0.000 0.269 114 S C 1.257 175.879 174.600 0.036 0.000 1.292 114 S CA -0.763 57.450 58.200 0.022 0.000 1.010 114 S CB -0.001 63.208 63.200 0.015 0.000 0.944 114 S HN 0.619 nan 8.310 nan 0.000 0.536 115 I N 0.782 121.357 120.570 0.008 0.000 2.194 115 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 115 I C 2.819 179.013 176.117 0.129 0.000 1.093 115 I CA 2.059 63.369 61.300 0.016 0.000 1.355 115 I CB -0.369 37.552 38.000 -0.132 0.000 1.046 115 I HN 0.891 nan 8.210 nan 0.000 0.413 116 E N 0.881 121.127 120.200 0.077 0.000 2.107 116 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 116 E C 2.033 178.674 176.600 0.067 0.000 0.982 116 E CA 1.057 57.505 56.400 0.080 0.000 0.809 116 E CB 0.086 29.813 29.700 0.045 0.000 0.756 116 E HN 0.450 nan 8.360 nan 0.000 0.459 117 E N -0.286 119.947 120.200 0.055 0.000 2.110 117 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 117 E C 2.082 178.710 176.600 0.047 0.000 0.988 117 E CA 1.238 57.664 56.400 0.043 0.000 0.804 117 E CB 0.179 29.903 29.700 0.039 0.000 0.745 117 E HN 0.140 nan 8.360 nan 0.000 0.458 118 V N 1.002 120.961 119.914 0.075 0.000 2.323 118 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 118 V C 2.284 178.394 176.094 0.026 0.000 1.041 118 V CA 1.724 64.066 62.300 0.071 0.000 1.025 118 V CB -0.649 31.256 31.823 0.136 0.000 0.656 118 V HN 0.328 nan 8.190 nan 0.000 0.451 119 A N -0.213 122.641 122.820 0.056 0.000 1.917 119 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 119 A C 2.144 179.702 177.584 -0.044 0.000 1.182 119 A CA 2.246 54.259 52.037 -0.041 0.000 0.633 119 A CB -0.521 18.500 19.000 0.035 0.000 0.819 119 A HN 0.650 nan 8.150 nan 0.000 0.448 120 E N -0.536 119.660 120.200 -0.007 0.000 2.106 120 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 120 E C 2.290 178.878 176.600 -0.020 0.000 0.984 120 E CA 0.845 57.238 56.400 -0.012 0.000 0.806 120 E CB -0.257 29.445 29.700 0.003 0.000 0.750 120 E HN 0.628 nan 8.360 nan 0.000 0.458 121 A N 0.969 123.780 122.820 -0.015 0.000 1.930 121 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 121 A C 1.712 179.273 177.584 -0.039 0.000 1.175 121 A CA 1.360 53.386 52.037 -0.018 0.000 0.627 121 A CB -0.107 18.889 19.000 -0.006 0.000 0.815 121 A HN 0.240 nan 8.150 nan 0.000 0.443 122 G N -0.776 107.987 108.800 -0.061 0.000 4.519 122 G HA2 0.466 4.426 3.960 -0.000 0.000 0.336 122 G HA3 0.466 4.426 3.960 -0.000 0.000 0.336 122 G C -1.598 173.230 174.900 -0.120 0.000 1.491 122 G CA -0.517 44.530 45.100 -0.089 0.000 1.008 122 G HN 0.165 nan 8.290 nan 0.000 0.515 123 P HA -0.072 nan 4.420 nan 0.000 0.217 123 P C 0.906 178.132 177.300 -0.123 0.000 1.151 123 P CA 1.077 64.113 63.100 -0.106 0.000 0.828 123 P CB 0.778 32.436 31.700 -0.069 0.000 0.788 124 E N -0.798 119.338 120.200 -0.107 0.000 2.474 124 E HA 0.271 4.621 4.350 -0.000 0.000 0.195 124 E C 0.422 176.943 176.600 -0.132 0.000 1.039 124 E CA -0.386 55.950 56.400 -0.106 0.000 0.881 124 E CB -0.005 29.650 29.700 -0.075 0.000 0.970 124 E HN 0.162 nan 8.360 nan 0.000 0.486 125 A N 0.916 123.639 122.820 -0.162 0.000 2.388 125 A HA 0.270 4.590 4.320 -0.000 0.000 0.257 125 A C -0.266 177.144 177.584 -0.289 0.000 1.095 125 A CA -0.461 51.455 52.037 -0.202 0.000 0.791 125 A CB 0.273 19.156 19.000 -0.194 0.000 1.029 125 A HN 0.262 nan 8.150 nan 0.000 0.489 126 L N 2.502 123.522 121.223 -0.337 0.000 2.410 126 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 126 L C 0.273 176.682 176.870 -0.768 0.000 1.144 126 L CA 0.856 55.400 54.840 -0.494 0.000 0.863 126 L CB 0.093 41.882 42.059 -0.451 0.000 1.140 126 L HN 0.715 nan 8.230 nan 0.000 0.463 127 R N 5.434 125.461 120.500 -0.788 0.000 2.575 127 R HA 0.524 4.864 4.340 -0.000 0.000 0.293 127 R C -1.496 174.542 176.300 -0.435 0.000 0.983 127 R CA -0.578 55.107 56.100 -0.691 0.000 0.887 127 R CB 1.666 31.483 30.300 -0.805 0.000 1.184 127 R HN 0.608 nan 8.270 nan 0.000 0.445 128 W N 3.382 124.816 121.300 0.223 0.000 2.781 128 W HA 0.428 5.088 4.660 0.000 0.000 0.345 128 W C -0.795 175.917 176.519 0.322 0.000 1.085 128 W CA -1.069 56.474 57.345 0.330 0.000 1.198 128 W CB 1.298 30.975 29.460 0.361 0.000 1.423 128 W HN 0.238 nan 8.180 nan 0.000 0.532 129 L N 2.626 124.113 121.223 0.441 0.000 2.296 129 L HA 0.302 4.642 4.340 -0.000 0.000 0.286 129 L C 0.147 177.103 176.870 0.143 0.000 1.023 129 L CA -0.249 54.677 54.840 0.143 0.000 0.812 129 L CB 1.240 43.233 42.059 -0.110 0.000 1.223 129 L HN 0.309 nan 8.230 nan 0.000 0.421 130 Q N 6.006 125.832 119.800 0.043 0.000 2.243 130 Q HA 0.527 4.867 4.340 -0.000 0.000 0.252 130 Q C -1.636 174.304 176.000 -0.100 0.000 0.909 130 Q CA -0.430 55.347 55.803 -0.043 0.000 0.922 130 Q CB 1.571 30.217 28.738 -0.153 0.000 1.215 130 Q HN 0.864 nan 8.270 nan 0.000 0.427 131 L N 2.344 123.456 121.223 -0.186 0.000 2.540 131 L HA 0.565 4.905 4.340 -0.000 0.000 0.256 131 L C -1.913 174.718 176.870 -0.399 0.000 1.001 131 L CA -0.823 53.906 54.840 -0.184 0.000 0.843 131 L CB 1.909 43.937 42.059 -0.052 0.000 1.436 131 L HN 0.564 nan 8.230 nan 0.000 0.410 132 Y N 1.708 121.806 120.300 -0.338 0.000 2.528 132 Y HA 0.542 5.092 4.550 0.000 0.000 0.335 132 Y C 0.187 175.758 175.900 -0.549 0.000 1.093 132 Y CA -0.601 57.188 58.100 -0.518 0.000 1.134 132 Y CB 1.926 39.918 38.460 -0.780 0.000 1.253 132 Y HN 0.372 nan 8.280 nan 0.000 0.478 133 I N 3.509 123.991 120.570 -0.146 0.000 2.278 133 I HA 0.084 4.254 4.170 -0.000 0.000 0.296 133 I C -0.766 175.266 176.117 -0.141 0.000 1.121 133 I CA -0.152 61.111 61.300 -0.061 0.000 1.267 133 I CB -0.471 37.535 38.000 0.011 0.000 1.447 133 I HN 0.469 nan 8.210 nan 0.000 0.509 134 Y N 5.338 125.665 120.300 0.045 0.000 2.295 134 Y HA 0.143 4.693 4.550 -0.000 0.000 0.331 134 Y C 1.608 177.476 175.900 -0.054 0.000 1.311 134 Y CA -0.344 57.754 58.100 -0.003 0.000 1.430 134 Y CB 0.539 38.993 38.460 -0.010 0.000 1.339 134 Y HN 0.362 nan 8.280 nan 0.000 0.552 135 K N -0.043 120.435 120.400 0.130 0.000 2.009 135 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 135 K C 0.110 176.710 176.600 0.001 0.000 1.049 135 K CA 1.672 57.973 56.287 0.023 0.000 0.929 135 K CB -0.169 32.344 32.500 0.022 0.000 0.714 135 K HN 0.555 nan 8.250 nan 0.000 0.440 136 D N 0.635 121.056 120.400 0.034 0.000 2.344 136 D HA 0.000 4.640 4.640 -0.000 0.000 0.253 136 D C 0.731 177.055 176.300 0.040 0.000 1.255 136 D CA 0.116 54.124 54.000 0.013 0.000 0.894 136 D CB 0.618 41.419 40.800 0.001 0.000 1.067 136 D HN -0.055 nan 8.370 nan 0.000 0.492 137 R N 2.814 123.304 120.500 -0.017 0.000 2.152 137 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 137 R C 1.239 177.647 176.300 0.180 0.000 1.117 137 R CA 0.697 56.790 56.100 -0.011 0.000 0.981 137 R CB 0.028 30.196 30.300 -0.220 0.000 0.870 137 R HN 0.562 nan 8.270 nan 0.000 0.451 138 E N 0.310 120.580 120.200 0.116 0.000 2.204 138 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 138 E C 2.114 178.770 176.600 0.094 0.000 0.989 138 E CA 0.671 57.140 56.400 0.115 0.000 0.824 138 E CB -0.123 29.615 29.700 0.062 0.000 0.756 138 E HN 0.099 nan 8.360 nan 0.000 0.477 139 V N 1.205 121.161 119.914 0.069 0.000 2.358 139 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 139 V C 2.323 178.487 176.094 0.117 0.000 1.047 139 V CA 1.999 64.308 62.300 0.014 0.000 1.035 139 V CB -0.908 30.831 31.823 -0.141 0.000 0.658 139 V HN 0.241 nan 8.190 nan 0.000 0.452 140 T N -0.533 114.181 114.554 0.267 0.000 2.737 140 T HA -0.210 4.140 4.350 -0.000 0.000 0.265 140 T C 1.965 176.794 174.700 0.216 0.000 1.038 140 T CA 1.688 63.982 62.100 0.323 0.000 1.144 140 T CB -0.180 68.944 68.868 0.428 0.000 0.866 140 T HN 0.384 nan 8.240 nan 0.000 0.434 141 K N 1.012 121.561 120.400 0.248 0.000 2.015 141 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 141 K C 2.328 178.958 176.600 0.049 0.000 1.052 141 K CA 1.625 57.986 56.287 0.124 0.000 0.937 141 K CB -0.062 32.541 32.500 0.172 0.000 0.719 141 K HN 0.215 nan 8.250 nan 0.000 0.446 142 K N 0.357 120.788 120.400 0.050 0.000 2.147 142 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 142 K C 2.127 178.722 176.600 -0.009 0.000 1.049 142 K CA 1.112 57.407 56.287 0.013 0.000 0.936 142 K CB -0.071 32.431 32.500 0.004 0.000 0.722 142 K HN 0.135 nan 8.250 nan 0.000 0.446 143 L N 0.416 121.639 121.223 -0.001 0.000 2.056 143 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 143 L C 2.302 179.141 176.870 -0.052 0.000 1.078 143 L CA 0.887 55.709 54.840 -0.031 0.000 0.749 143 L CB -0.419 41.641 42.059 0.002 0.000 0.901 143 L HN -0.018 nan 8.230 nan 0.000 0.433 144 V N -0.168 119.729 119.914 -0.028 0.000 2.295 144 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 144 V C 2.655 178.724 176.094 -0.042 0.000 1.049 144 V CA 1.669 63.942 62.300 -0.045 0.000 1.024 144 V CB -0.668 31.116 31.823 -0.064 0.000 0.648 144 V HN 0.436 nan 8.190 nan 0.000 0.447 145 R N -0.307 120.173 120.500 -0.033 0.000 2.115 145 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 145 R C 2.229 178.521 176.300 -0.015 0.000 1.111 145 R CA 1.297 57.383 56.100 -0.022 0.000 0.976 145 R CB -0.419 29.872 30.300 -0.016 0.000 0.870 145 R HN 0.582 nan 8.270 nan 0.000 0.445 146 Q N 0.271 120.053 119.800 -0.029 0.000 2.123 146 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 146 Q C 2.040 178.023 176.000 -0.028 0.000 0.966 146 Q CA 1.262 57.048 55.803 -0.029 0.000 0.845 146 Q CB 0.039 28.745 28.738 -0.054 0.000 0.907 146 Q HN 0.349 nan 8.270 nan 0.000 0.439 147 A N 0.824 123.593 122.820 -0.084 0.000 1.902 147 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 147 A C 1.746 179.404 177.584 0.123 0.000 1.181 147 A CA 1.556 53.545 52.037 -0.081 0.000 0.623 147 A CB -0.468 18.444 19.000 -0.147 0.000 0.818 147 A HN 0.421 nan 8.150 nan 0.000 0.443 148 E N -0.120 120.117 120.200 0.061 0.000 2.038 148 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 148 E C 2.006 178.648 176.600 0.070 0.000 1.000 148 E CA 1.623 58.061 56.400 0.062 0.000 0.803 148 E CB -0.173 29.541 29.700 0.023 0.000 0.750 148 E HN 0.577 nan 8.360 nan 0.000 0.448 149 K N -0.326 120.109 120.400 0.058 0.000 2.288 149 K HA 0.030 4.350 4.320 -0.000 0.000 0.201 149 K C 1.421 178.065 176.600 0.073 0.000 1.048 149 K CA 0.581 56.898 56.287 0.050 0.000 0.956 149 K CB 0.212 32.732 32.500 0.033 0.000 0.746 149 K HN 0.108 nan 8.250 nan 0.000 0.461 150 M N -0.142 119.539 119.600 0.136 0.000 2.475 150 M HA 0.147 4.627 4.480 -0.000 0.000 0.261 150 M C 0.512 176.898 176.300 0.143 0.000 1.177 150 M CA 0.302 55.707 55.300 0.174 0.000 0.979 150 M CB 0.427 33.184 32.600 0.262 0.000 1.482 150 M HN 0.376 nan 8.290 nan 0.000 0.484 151 G N 0.628 109.489 108.800 0.103 0.000 2.137 151 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.237 151 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.237 151 G C -0.406 174.440 174.900 -0.090 0.000 1.002 151 G CA -0.222 44.869 45.100 -0.015 0.000 0.702 151 G HN 0.455 nan 8.290 nan 0.000 0.515 152 Y N 0.003 120.297 120.300 -0.010 0.000 2.319 152 Y HA 0.488 5.039 4.550 0.000 0.000 0.328 152 Y C 1.542 177.470 175.900 0.048 0.000 1.133 152 Y CA -0.319 57.783 58.100 0.004 0.000 1.265 152 Y CB 1.034 39.515 38.460 0.035 0.000 1.218 152 Y HN -0.089 nan 8.280 nan 0.000 0.508 153 K N 1.786 122.303 120.400 0.195 0.000 2.367 153 K HA 0.459 4.779 4.320 -0.000 0.000 0.194 153 K C -0.103 176.694 176.600 0.329 0.000 1.027 153 K CA 0.288 56.705 56.287 0.217 0.000 1.075 153 K CB 0.511 33.102 32.500 0.151 0.000 0.845 153 K HN 0.640 nan 8.250 nan 0.000 0.529 154 A N 0.663 123.748 122.820 0.441 0.000 2.610 154 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 154 A C -1.489 176.224 177.584 0.215 0.000 1.086 154 A CA -0.697 51.493 52.037 0.255 0.000 0.677 154 A CB 1.187 20.255 19.000 0.113 0.000 1.278 154 A HN -0.023 nan 8.150 nan 0.000 0.414 155 I N 1.067 121.650 120.570 0.021 0.000 2.362 155 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 155 I C -1.284 174.756 176.117 -0.128 0.000 0.994 155 I CA -0.350 60.958 61.300 0.013 0.000 1.158 155 I CB 0.773 38.758 38.000 -0.025 0.000 1.315 155 I HN 0.523 nan 8.210 nan 0.000 0.451 156 F N 5.791 125.679 119.950 -0.104 0.000 2.371 156 F HA 0.297 4.824 4.527 -0.000 0.000 0.363 156 F C 0.410 176.096 175.800 -0.191 0.000 1.122 156 F CA -0.560 57.332 58.000 -0.180 0.000 1.129 156 F CB 1.572 40.409 39.000 -0.272 0.000 1.173 156 F HN 0.140 nan 8.300 nan 0.000 0.489 157 V N 4.995 124.876 119.914 -0.054 0.000 2.364 157 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 157 V C -0.046 175.969 176.094 -0.132 0.000 1.036 157 V CA -0.148 62.087 62.300 -0.108 0.000 0.880 157 V CB 1.103 32.880 31.823 -0.077 0.000 0.991 157 V HN 0.741 nan 8.190 nan 0.000 0.460 158 T N 6.735 121.135 114.554 -0.257 0.000 2.761 158 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 158 T C 0.769 175.442 174.700 -0.046 0.000 0.934 158 T CA 0.240 62.215 62.100 -0.207 0.000 1.091 158 T CB 1.154 69.775 68.868 -0.411 0.000 0.896 158 T HN 0.936 nan 8.240 nan 0.000 0.515 159 V N 0.137 120.040 119.914 -0.018 0.000 3.427 159 V HA 0.267 4.387 4.120 -0.000 0.000 0.305 159 V C 0.832 176.924 176.094 -0.003 0.000 1.412 159 V CA -0.162 62.110 62.300 -0.046 0.000 1.086 159 V CB -0.097 31.639 31.823 -0.145 0.000 0.964 159 V HN 0.781 nan 8.190 nan 0.000 0.439 160 D N -0.743 119.710 120.400 0.089 0.000 2.462 160 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 160 D C 0.511 176.885 176.300 0.124 0.000 1.173 160 D CA 0.110 54.170 54.000 0.100 0.000 0.831 160 D CB 0.125 41.000 40.800 0.125 0.000 1.001 160 D HN 0.382 nan 8.370 nan 0.000 0.499 161 T N 1.913 116.553 114.554 0.144 0.000 3.585 161 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 161 T C -1.907 172.761 174.700 -0.053 0.000 1.382 161 T CA -0.923 61.223 62.100 0.076 0.000 1.584 161 T CB 1.636 70.609 68.868 0.175 0.000 0.892 161 T HN -0.008 nan 8.240 nan 0.000 0.671 162 P HA -0.048 nan 4.420 nan 0.000 0.218 162 P C -0.253 176.719 177.300 -0.547 0.000 1.149 162 P CA 1.094 64.032 63.100 -0.269 0.000 0.817 162 P CB 0.192 31.790 31.700 -0.171 0.000 0.785 163 Y N -2.185 118.083 120.300 -0.053 0.000 2.605 163 Y HA 0.457 5.007 4.550 -0.000 0.000 0.343 163 Y C 0.279 176.129 175.900 -0.083 0.000 1.036 163 Y CA -1.496 56.567 58.100 -0.062 0.000 1.065 163 Y CB 0.731 39.162 38.460 -0.048 0.000 1.288 163 Y HN -0.324 nan 8.280 nan 0.000 0.481 164 L N 2.003 123.268 121.223 0.069 0.000 2.416 164 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 164 L C 0.814 177.669 176.870 -0.025 0.000 1.161 164 L CA 0.412 55.234 54.840 -0.030 0.000 0.845 164 L CB 0.196 42.221 42.059 -0.057 0.000 1.119 164 L HN 0.823 nan 8.230 nan 0.000 0.464 165 G N 2.561 111.312 108.800 -0.080 0.000 2.690 165 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.239 165 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.239 165 G C -0.262 174.602 174.900 -0.061 0.000 1.233 165 G CA -0.405 44.652 45.100 -0.071 0.000 0.847 165 G HN 0.770 nan 8.290 nan 0.000 0.588 166 N N -0.473 118.196 118.700 -0.050 0.000 2.589 166 N HA 0.245 4.985 4.740 -0.000 0.000 0.232 166 N C -0.308 175.174 175.510 -0.047 0.000 1.015 166 N CA -0.456 52.567 53.050 -0.045 0.000 0.931 166 N CB 0.307 38.771 38.487 -0.038 0.000 1.150 166 N HN 0.347 nan 8.380 nan 0.000 0.512 167 R N 3.890 124.356 120.500 -0.057 0.000 2.233 167 R HA 0.288 4.628 4.340 -0.000 0.000 0.334 167 R C 1.207 177.478 176.300 -0.048 0.000 1.037 167 R CA -0.459 55.605 56.100 -0.061 0.000 0.920 167 R CB 0.808 31.052 30.300 -0.093 0.000 1.137 167 R HN 0.528 nan 8.270 nan 0.000 0.492 168 L N 1.000 122.203 121.223 -0.032 0.000 2.089 168 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 168 L C 1.148 178.011 176.870 -0.013 0.000 1.079 168 L CA 1.244 56.073 54.840 -0.018 0.000 0.758 168 L CB -0.244 41.809 42.059 -0.010 0.000 0.891 168 L HN 0.574 nan 8.230 nan 0.000 0.433 169 D N -0.251 120.138 120.400 -0.018 0.000 2.183 169 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 169 D C 1.780 178.076 176.300 -0.007 0.000 0.969 169 D CA 0.882 54.879 54.000 -0.005 0.000 0.842 169 D CB -0.129 40.669 40.800 -0.003 0.000 0.957 169 D HN 0.265 nan 8.370 nan 0.000 0.484 170 D N -0.500 119.873 120.400 -0.045 0.000 2.264 170 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 170 D C 2.013 178.315 176.300 0.004 0.000 0.966 170 D CA 0.312 54.272 54.000 -0.066 0.000 0.864 170 D CB 0.321 41.029 40.800 -0.153 0.000 0.933 170 D HN 0.127 nan 8.370 nan 0.000 0.499 171 V N 0.135 120.051 119.914 0.004 0.000 2.492 171 V HA -0.033 4.087 4.120 -0.000 0.000 0.241 171 V C 2.382 178.492 176.094 0.028 0.000 1.041 171 V CA 0.668 62.978 62.300 0.018 0.000 1.057 171 V CB -0.238 31.587 31.823 0.004 0.000 0.711 171 V HN 0.004 nan 8.190 nan 0.000 0.468 172 R N 1.840 122.354 120.500 0.024 0.000 2.103 172 R HA -0.108 4.232 4.340 -0.000 0.000 0.242 172 R C 0.625 176.948 176.300 0.039 0.000 1.142 172 R CA 1.573 57.690 56.100 0.028 0.000 0.960 172 R CB -0.306 30.009 30.300 0.026 0.000 0.858 172 R HN 0.722 nan 8.270 nan 0.000 0.439 173 N N 0.876 119.608 118.700 0.054 0.000 2.479 173 N HA 0.183 4.923 4.740 -0.000 0.000 0.261 173 N C -1.009 174.559 175.510 0.096 0.000 0.979 173 N CA -0.597 52.494 53.050 0.069 0.000 0.930 173 N CB 1.950 40.485 38.487 0.079 0.000 1.172 173 N HN -0.076 nan 8.380 nan 0.000 0.499 174 R N 1.348 121.897 120.500 0.081 0.000 2.756 174 R HA 0.154 4.494 4.340 -0.000 0.000 0.264 174 R C -1.124 175.265 176.300 0.148 0.000 1.026 174 R CA 0.377 56.538 56.100 0.101 0.000 1.121 174 R CB 0.396 30.733 30.300 0.061 0.000 0.999 174 R HN 0.631 nan 8.270 nan 0.000 0.449 175 F N 2.104 122.031 119.950 -0.039 0.000 2.588 175 F HA 0.580 5.107 4.527 -0.000 0.000 0.310 175 F C -0.731 175.006 175.800 -0.105 0.000 1.082 175 F CA -0.509 57.442 58.000 -0.081 0.000 0.929 175 F CB 1.550 40.490 39.000 -0.100 0.000 1.254 175 F HN 0.459 nan 8.300 nan 0.000 0.455 176 K N 3.396 123.324 120.400 -0.787 0.000 2.809 176 K HA 0.525 4.845 4.320 -0.000 0.000 0.293 176 K C -2.420 173.792 176.600 -0.647 0.000 1.061 176 K CA -0.706 55.246 56.287 -0.559 0.000 0.837 176 K CB 1.964 34.321 32.500 -0.238 0.000 1.524 176 K HN 0.623 nan 8.250 nan 0.000 0.370 205 L N 0.933 122.219 121.223 0.106 0.000 2.217 205 L HA 0.061 4.401 4.340 -0.000 0.000 0.211 205 L C 3.178 180.073 176.870 0.042 0.000 1.107 205 L CA 1.502 56.368 54.840 0.045 0.000 0.783 205 L CB -0.378 41.644 42.059 -0.061 0.000 0.919 205 L HN 0.639 nan 8.230 nan 0.000 0.442 206 A N 0.169 123.010 122.820 0.035 0.000 2.019 206 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 206 A C 2.505 180.117 177.584 0.047 0.000 1.164 206 A CA 1.558 53.609 52.037 0.023 0.000 0.644 206 A CB -0.379 18.630 19.000 0.014 0.000 0.805 206 A HN 0.399 nan 8.150 nan 0.000 0.449 207 A N -1.483 121.372 122.820 0.059 0.000 1.897 207 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 207 A C 2.012 179.582 177.584 -0.023 0.000 1.181 207 A CA 1.232 53.269 52.037 -0.001 0.000 0.620 207 A CB -0.717 18.246 19.000 -0.062 0.000 0.821 207 A HN 0.547 nan 8.150 nan 0.000 0.443 208 Y N -0.177 120.111 120.300 -0.020 0.000 2.274 208 Y HA -0.156 4.394 4.550 0.000 0.000 0.290 208 Y C 2.504 178.428 175.900 0.040 0.000 1.145 208 Y CA 1.456 59.559 58.100 0.005 0.000 1.203 208 Y CB -0.204 38.220 38.460 -0.060 0.000 0.984 208 Y HN 0.124 nan 8.280 nan 0.000 0.533 209 V N -0.712 119.259 119.914 0.095 0.000 2.379 209 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 209 V C 2.429 178.562 176.094 0.065 0.000 1.044 209 V CA 1.577 63.905 62.300 0.047 0.000 1.036 209 V CB -1.204 30.576 31.823 -0.073 0.000 0.664 209 V HN 0.427 nan 8.190 nan 0.000 0.453 210 A N -0.392 122.464 122.820 0.061 0.000 2.015 210 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 210 A C 2.291 179.900 177.584 0.042 0.000 1.163 210 A CA 1.642 53.715 52.037 0.060 0.000 0.646 210 A CB -0.334 18.732 19.000 0.109 0.000 0.806 210 A HN 0.542 nan 8.150 nan 0.000 0.448 211 K N -0.583 119.846 120.400 0.049 0.000 2.031 211 K HA 0.061 4.381 4.320 -0.000 0.000 0.205 211 K C 2.312 178.965 176.600 0.088 0.000 1.049 211 K CA 1.078 57.390 56.287 0.041 0.000 0.939 211 K CB -0.185 32.317 32.500 0.003 0.000 0.717 211 K HN 0.421 nan 8.250 nan 0.000 0.438 212 A N 1.283 124.212 122.820 0.181 0.000 1.871 212 A HA 0.118 4.438 4.320 -0.000 0.000 0.211 212 A C 1.107 178.866 177.584 0.290 0.000 1.207 212 A CA 0.294 52.490 52.037 0.265 0.000 0.620 212 A CB -0.127 19.134 19.000 0.434 0.000 0.860 212 A HN 0.093 nan 8.150 nan 0.000 0.450 213 I N 1.566 122.256 120.570 0.200 0.000 2.416 213 I HA 0.114 4.284 4.170 -0.000 0.000 0.288 213 I C -0.709 175.349 176.117 -0.098 0.000 1.051 213 I CA -0.389 60.910 61.300 -0.001 0.000 1.375 213 I CB 0.824 38.707 38.000 -0.196 0.000 1.407 213 I HN 0.155 nan 8.210 nan 0.000 0.516 214 D N 9.623 129.959 120.400 -0.108 0.000 2.339 214 D HA 0.167 4.807 4.640 -0.000 0.000 0.241 214 D C -1.528 174.647 176.300 -0.208 0.000 1.183 214 D CA -2.209 51.709 54.000 -0.136 0.000 0.859 214 D CB 1.266 42.005 40.800 -0.102 0.000 1.067 214 D HN 0.270 nan 8.370 nan 0.000 0.484 215 P HA -0.028 nan 4.420 nan 0.000 0.245 215 P C 0.697 177.889 177.300 -0.180 0.000 1.212 215 P CA 0.286 63.170 63.100 -0.361 0.000 0.774 215 P CB 0.155 31.437 31.700 -0.697 0.000 0.999 216 S N -0.287 115.332 115.700 -0.135 0.000 2.548 216 S HA 0.060 4.530 4.470 -0.000 0.000 0.215 216 S C 1.104 175.647 174.600 -0.096 0.000 0.976 216 S CA -0.624 57.523 58.200 -0.088 0.000 0.908 216 S CB -1.215 61.943 63.200 -0.071 0.000 0.781 216 S HN 0.231 nan 8.310 nan 0.000 0.519 217 I N 1.945 122.440 120.570 -0.125 0.000 2.648 217 I HA 0.507 4.677 4.170 -0.000 0.000 0.284 217 I C 0.139 176.162 176.117 -0.155 0.000 1.153 217 I CA -0.463 60.757 61.300 -0.134 0.000 1.426 217 I CB 0.887 38.801 38.000 -0.142 0.000 1.381 217 I HN 0.291 nan 8.210 nan 0.000 0.571 218 S N 3.446 119.062 115.700 -0.139 0.000 2.874 218 S HA 0.429 4.899 4.470 -0.000 0.000 0.318 218 S C 0.116 174.603 174.600 -0.189 0.000 1.109 218 S CA -0.871 57.228 58.200 -0.169 0.000 0.878 218 S CB 0.516 63.699 63.200 -0.028 0.000 1.307 218 S HN 0.852 nan 8.310 nan 0.000 0.592 219 W N 1.157 122.416 121.300 -0.069 0.000 2.525 219 W HA 0.125 4.785 4.660 -0.000 0.000 0.259 219 W C 2.221 178.719 176.519 -0.034 0.000 1.253 219 W CA 0.405 57.651 57.345 -0.166 0.000 1.262 219 W CB -0.088 29.177 29.460 -0.324 0.000 1.122 219 W HN 0.647 nan 8.180 nan 0.000 0.607 220 E N 0.231 120.558 120.200 0.211 0.000 2.077 220 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 220 E C 1.433 178.139 176.600 0.176 0.000 0.989 220 E CA 1.279 57.792 56.400 0.188 0.000 0.800 220 E CB -0.585 29.188 29.700 0.122 0.000 0.746 220 E HN 0.423 nan 8.360 nan 0.000 0.452 221 D N 0.292 120.754 120.400 0.103 0.000 2.312 221 D HA -0.074 4.566 4.640 -0.000 0.000 0.211 221 D C 1.746 178.197 176.300 0.251 0.000 0.964 221 D CA 0.285 54.359 54.000 0.124 0.000 0.877 221 D CB 0.292 41.075 40.800 -0.029 0.000 0.924 221 D HN 0.132 nan 8.370 nan 0.000 0.515 222 I N 1.174 121.849 120.570 0.176 0.000 2.333 222 I HA -0.149 4.021 4.170 -0.000 0.000 0.246 222 I C 2.253 178.514 176.117 0.240 0.000 1.106 222 I CA 0.811 62.222 61.300 0.184 0.000 1.411 222 I CB -0.562 37.533 38.000 0.158 0.000 1.082 222 I HN -0.099 nan 8.210 nan 0.000 0.420 223 K N -0.077 120.498 120.400 0.292 0.000 2.059 223 K HA -0.276 4.044 4.320 -0.000 0.000 0.212 223 K C 2.026 178.756 176.600 0.216 0.000 1.050 223 K CA 2.240 58.684 56.287 0.261 0.000 0.927 223 K CB -0.455 32.202 32.500 0.261 0.000 0.714 223 K HN 0.332 nan 8.250 nan 0.000 0.447 224 W N 1.448 122.790 121.300 0.069 0.000 2.335 224 W HA -0.244 4.416 4.660 0.000 0.000 0.311 224 W C 1.778 178.317 176.519 0.034 0.000 1.213 224 W CA 1.304 58.675 57.345 0.043 0.000 1.274 224 W CB -0.441 29.038 29.460 0.031 0.000 1.148 224 W HN 0.061 nan 8.180 nan 0.000 0.498 225 L N 1.325 122.570 121.223 0.037 0.000 2.141 225 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 225 L C 2.588 179.350 176.870 -0.181 0.000 1.094 225 L CA 1.792 56.501 54.840 -0.218 0.000 0.763 225 L CB -0.966 41.113 42.059 0.034 0.000 0.908 225 L HN -0.100 nan 8.230 nan 0.000 0.437 226 R N 0.097 120.566 120.500 -0.052 0.000 2.073 226 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 226 R C 2.319 178.572 176.300 -0.079 0.000 1.134 226 R CA 1.593 57.674 56.100 -0.032 0.000 0.952 226 R CB -0.341 29.983 30.300 0.042 0.000 0.850 226 R HN 0.415 nan 8.270 nan 0.000 0.433 227 R N 0.070 120.512 120.500 -0.096 0.000 2.189 227 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 227 R C 2.127 178.325 176.300 -0.171 0.000 1.092 227 R CA 0.551 56.588 56.100 -0.104 0.000 0.989 227 R CB -0.226 30.030 30.300 -0.073 0.000 0.876 227 R HN 0.077 nan 8.270 nan 0.000 0.457 228 L N -0.020 121.029 121.223 -0.290 0.000 2.313 228 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 228 L C 0.652 177.397 176.870 -0.208 0.000 1.119 228 L CA 1.227 55.861 54.840 -0.344 0.000 0.809 228 L CB 0.425 42.107 42.059 -0.628 0.000 0.933 228 L HN -0.019 nan 8.230 nan 0.000 0.449 229 T N -3.192 111.269 114.554 -0.156 0.000 2.932 229 T HA 0.290 4.640 4.350 -0.000 0.000 0.318 229 T C 0.466 175.127 174.700 -0.065 0.000 1.265 229 T CA -0.033 62.008 62.100 -0.098 0.000 1.036 229 T CB 1.409 70.223 68.868 -0.091 0.000 1.209 229 T HN 0.063 nan 8.240 nan 0.000 0.484 230 S N 3.079 118.755 115.700 -0.040 0.000 2.540 230 S HA 0.360 4.830 4.470 -0.000 0.000 0.218 230 S C 0.744 175.337 174.600 -0.012 0.000 0.977 230 S CA -0.466 57.719 58.200 -0.025 0.000 0.918 230 S CB -0.474 62.716 63.200 -0.017 0.000 0.806 230 S HN 0.633 nan 8.310 nan 0.000 0.496 231 L N 2.324 123.541 121.223 -0.009 0.000 2.483 231 L HA 0.264 4.604 4.340 -0.000 0.000 0.276 231 L C -2.315 174.549 176.870 -0.009 0.000 1.213 231 L CA -1.859 52.987 54.840 0.009 0.000 0.843 231 L CB -0.051 42.022 42.059 0.024 0.000 1.107 231 L HN 0.032 nan 8.230 nan 0.000 0.487 232 P HA 0.102 nan 4.420 nan 0.000 0.264 232 P C -0.850 176.392 177.300 -0.098 0.000 1.193 232 P CA 0.402 63.479 63.100 -0.039 0.000 0.763 232 P CB 0.338 32.024 31.700 -0.024 0.000 0.810 233 I N 2.915 123.418 120.570 -0.111 0.000 2.404 233 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 233 I C -0.285 175.701 176.117 -0.218 0.000 0.992 233 I CA -0.992 60.213 61.300 -0.159 0.000 1.149 233 I CB 1.866 39.815 38.000 -0.085 0.000 1.315 233 I HN -0.030 nan 8.210 nan 0.000 0.446 234 V N 5.079 124.756 119.914 -0.395 0.000 2.448 234 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 234 V C 0.420 176.396 176.094 -0.197 0.000 1.025 234 V CA -0.801 61.267 62.300 -0.386 0.000 0.859 234 V CB 1.578 32.871 31.823 -0.884 0.000 0.988 234 V HN 0.845 nan 8.190 nan 0.000 0.431 235 A N 4.608 127.397 122.820 -0.051 0.000 2.395 235 A HA 0.397 4.717 4.320 -0.000 0.000 0.286 235 A C 0.227 177.831 177.584 0.034 0.000 1.193 235 A CA -0.079 51.960 52.037 0.004 0.000 0.852 235 A CB -0.133 18.909 19.000 0.071 0.000 1.118 235 A HN 0.837 nan 8.150 nan 0.000 0.524 236 K N 2.681 123.094 120.400 0.021 0.000 2.234 236 K HA 0.504 4.824 4.320 -0.000 0.000 0.277 236 K C 0.729 177.329 176.600 -0.001 0.000 1.038 236 K CA 0.407 56.712 56.287 0.029 0.000 0.888 236 K CB 0.383 32.883 32.500 -0.001 0.000 1.091 236 K HN 1.364 nan 8.250 nan 0.000 0.467 237 G N 4.325 113.139 108.800 0.022 0.000 2.159 237 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.170 237 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.170 237 G C -0.037 174.894 174.900 0.051 0.000 1.007 237 G CA -0.455 44.667 45.100 0.037 0.000 0.672 237 G HN 0.526 nan 8.290 nan 0.000 0.507 238 I N 0.896 121.502 120.570 0.059 0.000 2.529 238 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 238 I C 1.383 177.540 176.117 0.066 0.000 1.082 238 I CA 0.195 61.539 61.300 0.073 0.000 1.406 238 I CB 1.266 39.324 38.000 0.096 0.000 1.405 238 I HN 0.046 nan 8.210 nan 0.000 0.548 239 L N 5.506 126.768 121.223 0.066 0.000 3.086 239 L HA 0.276 4.616 4.340 -0.000 0.000 0.274 239 L C 0.506 177.408 176.870 0.054 0.000 1.184 239 L CA 0.017 54.890 54.840 0.056 0.000 1.002 239 L CB 0.301 42.391 42.059 0.052 0.000 1.383 239 L HN 0.526 nan 8.230 nan 0.000 0.582 240 R N -0.799 119.740 120.500 0.065 0.000 2.670 240 R HA 0.431 4.771 4.340 -0.000 0.000 0.289 240 R C 1.042 177.376 176.300 0.057 0.000 0.965 240 R CA -0.080 56.056 56.100 0.061 0.000 0.899 240 R CB 1.768 32.111 30.300 0.072 0.000 1.173 240 R HN -0.022 nan 8.270 nan 0.000 0.456 241 G N 1.712 110.537 108.800 0.041 0.000 2.446 241 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.217 241 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.217 241 G C 0.860 175.775 174.900 0.026 0.000 1.168 241 G CA 1.401 46.517 45.100 0.028 0.000 0.771 241 G HN 0.776 nan 8.290 nan 0.000 0.551 242 D N 0.842 121.261 120.400 0.031 0.000 2.117 242 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 242 D C 1.610 177.927 176.300 0.029 0.000 0.982 242 D CA 1.163 55.174 54.000 0.019 0.000 0.828 242 D CB -0.693 40.121 40.800 0.023 0.000 0.967 242 D HN 0.171 nan 8.370 nan 0.000 0.464 243 D N 0.630 121.089 120.400 0.098 0.000 2.149 243 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 243 D C 2.134 178.531 176.300 0.161 0.000 0.990 243 D CA 1.765 55.891 54.000 0.210 0.000 0.839 243 D CB -0.436 40.521 40.800 0.262 0.000 0.948 243 D HN 0.339 nan 8.370 nan 0.000 0.460 244 A N 0.737 123.613 122.820 0.093 0.000 1.877 244 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 244 A C 2.181 179.768 177.584 0.004 0.000 1.186 244 A CA 1.197 53.270 52.037 0.060 0.000 0.620 244 A CB -0.373 18.649 19.000 0.036 0.000 0.822 244 A HN 0.113 nan 8.150 nan 0.000 0.443 245 R N -0.967 119.517 120.500 -0.026 0.000 2.096 245 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 245 R C 2.160 178.386 176.300 -0.123 0.000 1.127 245 R CA 1.466 57.529 56.100 -0.061 0.000 0.968 245 R CB -0.202 30.064 30.300 -0.056 0.000 0.861 245 R HN 0.570 nan 8.270 nan 0.000 0.440 246 E N 0.720 120.791 120.200 -0.216 0.000 2.106 246 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 246 E C 1.779 178.072 176.600 -0.512 0.000 0.984 246 E CA 1.379 57.484 56.400 -0.492 0.000 0.806 246 E CB -0.100 29.050 29.700 -0.916 0.000 0.750 246 E HN 0.317 nan 8.360 nan 0.000 0.458 247 A N -0.062 122.591 122.820 -0.278 0.000 1.877 247 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 247 A C 2.480 180.084 177.584 0.034 0.000 1.186 247 A CA 1.716 53.771 52.037 0.030 0.000 0.620 247 A CB -0.897 18.220 19.000 0.196 0.000 0.822 247 A HN 0.180 nan 8.150 nan 0.000 0.443 248 V N 0.433 120.340 119.914 -0.011 0.000 2.255 248 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 248 V C 2.559 178.636 176.094 -0.030 0.000 1.051 248 V CA 2.482 64.772 62.300 -0.017 0.000 1.018 248 V CB -0.713 31.089 31.823 -0.034 0.000 0.641 248 V HN 0.697 nan 8.190 nan 0.000 0.445 249 K N -0.827 119.533 120.400 -0.068 0.000 2.160 249 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 249 K C 1.783 178.283 176.600 -0.167 0.000 1.047 249 K CA 1.576 57.785 56.287 -0.129 0.000 0.930 249 K CB -0.192 32.195 32.500 -0.189 0.000 0.720 249 K HN 0.612 nan 8.250 nan 0.000 0.450 250 H N -1.161 117.842 119.070 -0.112 0.000 2.538 250 H HA 0.082 4.638 4.556 -0.000 0.000 0.286 250 H C 0.767 176.097 175.328 0.003 0.000 1.035 250 H CA 0.593 56.620 56.048 -0.036 0.000 1.169 250 H CB 0.630 30.403 29.762 0.019 0.000 1.417 250 H HN 0.556 nan 8.280 nan 0.000 0.567 251 G N 1.251 110.084 108.800 0.056 0.000 2.143 251 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 251 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 251 G C 0.326 175.249 174.900 0.038 0.000 0.991 251 G CA 0.010 45.127 45.100 0.030 0.000 0.689 251 G HN 0.265 nan 8.290 nan 0.000 0.522 252 L N -0.757 120.503 121.223 0.061 0.000 2.453 252 L HA 0.330 4.670 4.340 -0.000 0.000 0.261 252 L C 1.369 178.243 176.870 0.006 0.000 1.179 252 L CA 0.055 54.918 54.840 0.039 0.000 0.813 252 L CB 0.567 42.670 42.059 0.074 0.000 1.110 252 L HN 0.178 nan 8.230 nan 0.000 0.466 253 N N -0.306 118.381 118.700 -0.021 0.000 2.205 253 N HA 0.249 4.989 4.740 -0.000 0.000 0.201 253 N C 0.108 175.603 175.510 -0.024 0.000 1.128 253 N CA -0.051 52.983 53.050 -0.026 0.000 0.867 253 N CB 1.012 39.479 38.487 -0.032 0.000 0.996 253 N HN 0.736 nan 8.380 nan 0.000 0.503 254 G N -0.012 108.773 108.800 -0.025 0.000 2.466 254 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 254 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 254 G C -2.110 172.802 174.900 0.021 0.000 1.460 254 G CA -0.614 44.485 45.100 -0.002 0.000 0.791 254 G HN -0.101 nan 8.290 nan 0.000 0.505 255 I N 1.023 121.610 120.570 0.028 0.000 2.418 255 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 255 I C -0.812 175.425 176.117 0.199 0.000 1.008 255 I CA -0.807 60.540 61.300 0.078 0.000 1.104 255 I CB 1.478 39.497 38.000 0.032 0.000 1.264 255 I HN 0.401 nan 8.210 nan 0.000 0.438 256 L N 8.327 129.701 121.223 0.251 0.000 2.282 256 L HA 0.337 4.677 4.340 -0.000 0.000 0.287 256 L C -0.202 176.755 176.870 0.146 0.000 1.075 256 L CA -0.193 54.816 54.840 0.282 0.000 0.839 256 L CB 0.871 43.065 42.059 0.226 0.000 1.219 256 L HN 0.308 nan 8.230 nan 0.000 0.434 257 V N 4.998 124.992 119.914 0.134 0.000 2.421 257 V HA 0.415 4.535 4.120 -0.000 0.000 0.271 257 V C 0.501 176.643 176.094 0.080 0.000 1.031 257 V CA 0.234 62.585 62.300 0.084 0.000 1.032 257 V CB 0.318 32.175 31.823 0.058 0.000 1.009 257 V HN 0.901 nan 8.190 nan 0.000 0.477 258 S N 3.858 119.594 115.700 0.060 0.000 2.548 258 S HA 0.407 4.877 4.470 -0.000 0.000 0.278 258 S C -0.178 174.458 174.600 0.059 0.000 1.150 258 S CA -0.760 57.468 58.200 0.047 0.000 0.907 258 S CB 1.270 64.471 63.200 0.001 0.000 1.108 258 S HN 0.881 nan 8.310 nan 0.000 0.459 259 N N 2.426 121.168 118.700 0.071 0.000 2.321 259 N HA 0.210 4.950 4.740 -0.000 0.000 0.242 259 N C -0.007 175.596 175.510 0.156 0.000 1.141 259 N CA -0.127 52.979 53.050 0.094 0.000 0.864 259 N CB -0.558 37.973 38.487 0.072 0.000 1.100 259 N HN 0.902 nan 8.380 nan 0.000 0.510 260 H N 0.075 119.153 119.070 0.014 0.000 2.826 260 H HA -0.146 4.410 4.556 0.000 0.000 0.306 260 H C 1.061 176.384 175.328 -0.008 0.000 1.235 260 H CA 0.553 56.605 56.048 0.005 0.000 1.150 260 H CB -1.311 28.465 29.762 0.023 0.000 1.409 260 H HN 0.666 nan 8.280 nan 0.000 0.420 261 G N -0.402 108.459 108.800 0.103 0.000 2.225 261 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.267 261 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.267 261 G C 0.877 175.815 174.900 0.064 0.000 1.024 261 G CA 1.071 46.211 45.100 0.066 0.000 0.784 261 G HN 1.987 nan 8.290 nan 0.000 0.507 262 A N -2.169 120.696 122.820 0.074 0.000 2.860 262 A HA -0.262 4.058 4.320 -0.000 0.000 0.267 262 A C 1.584 179.179 177.584 0.018 0.000 1.421 262 A CA 2.363 54.429 52.037 0.048 0.000 0.831 262 A CB -1.620 17.406 19.000 0.043 0.000 1.041 262 A HN 1.225 nan 8.150 nan 0.000 0.623 263 R N -1.297 119.211 120.500 0.014 0.000 2.362 263 R HA 0.146 4.486 4.340 -0.000 0.000 0.227 263 R C 1.764 177.991 176.300 -0.122 0.000 0.905 263 R CA 0.550 56.612 56.100 -0.063 0.000 1.067 263 R CB 0.090 30.343 30.300 -0.078 0.000 1.078 263 R HN 0.643 nan 8.270 nan 0.000 0.516 264 Q N 0.325 120.071 119.800 -0.089 0.000 2.263 264 Q HA 0.161 4.501 4.340 -0.000 0.000 0.258 264 Q C 0.085 176.065 176.000 -0.033 0.000 0.993 264 Q CA 0.086 55.836 55.803 -0.089 0.000 0.820 264 Q CB -0.413 28.286 28.738 -0.066 0.000 1.737 264 Q HN 0.070 nan 8.270 nan 0.000 0.522 265 L N 2.825 124.046 121.223 -0.004 0.000 2.268 265 L HA 0.247 4.587 4.340 -0.000 0.000 0.289 265 L C -0.784 176.091 176.870 0.009 0.000 1.064 265 L CA -0.119 54.724 54.840 0.005 0.000 0.824 265 L CB 0.509 42.578 42.059 0.016 0.000 1.202 265 L HN 0.126 nan 8.230 nan 0.000 0.433 266 D N 3.675 124.076 120.400 0.002 0.000 2.389 266 D HA 0.502 5.142 4.640 -0.000 0.000 0.247 266 D C 1.034 177.341 176.300 0.011 0.000 1.128 266 D CA 1.276 55.280 54.000 0.007 0.000 0.884 266 D CB 0.965 41.765 40.800 0.001 0.000 1.194 266 D HN 0.855 nan 8.370 nan 0.000 0.441 267 G N 1.804 110.613 108.800 0.016 0.000 2.163 267 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 267 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 267 G C 0.329 175.241 174.900 0.020 0.000 0.991 267 G CA 0.033 45.142 45.100 0.016 0.000 0.653 267 G HN 0.961 nan 8.290 nan 0.000 0.518 268 V N -1.626 118.303 119.914 0.024 0.000 3.003 268 V HA 0.786 4.906 4.120 -0.000 0.000 0.305 268 V C -1.161 174.951 176.094 0.030 0.000 1.078 268 V CA -1.922 60.396 62.300 0.029 0.000 1.083 268 V CB 0.757 32.601 31.823 0.035 0.000 1.039 268 V HN 0.085 nan 8.190 nan 0.000 0.481 269 P HA 0.345 nan 4.420 nan 0.000 0.273 269 P C -0.270 177.049 177.300 0.031 0.000 1.250 269 P CA -0.055 63.064 63.100 0.031 0.000 0.793 269 P CB 0.192 31.912 31.700 0.033 0.000 1.011 270 A N 0.574 123.410 122.820 0.027 0.000 2.445 270 A HA 0.229 4.549 4.320 -0.000 0.000 0.242 270 A C 1.611 179.193 177.584 -0.003 0.000 1.075 270 A CA 0.527 52.573 52.037 0.015 0.000 0.777 270 A CB -0.735 18.263 19.000 -0.003 0.000 1.013 270 A HN 0.695 nan 8.150 nan 0.000 0.493 271 T N 0.655 115.206 114.554 -0.005 0.000 2.788 271 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 271 T C 1.599 176.257 174.700 -0.070 0.000 1.044 271 T CA 1.603 63.700 62.100 -0.005 0.000 1.139 271 T CB -0.403 68.488 68.868 0.038 0.000 0.867 271 T HN 0.491 nan 8.240 nan 0.000 0.454 272 I N 2.258 122.704 120.570 -0.207 0.000 2.454 272 I HA -0.081 4.089 4.170 -0.000 0.000 0.254 272 I C 1.449 177.474 176.117 -0.152 0.000 1.156 272 I CA 1.111 62.192 61.300 -0.365 0.000 1.433 272 I CB -0.457 36.957 38.000 -0.977 0.000 1.082 272 I HN 0.088 nan 8.210 nan 0.000 0.432 273 D N -0.430 119.984 120.400 0.023 0.000 2.194 273 D HA -0.059 4.581 4.640 -0.000 0.000 0.204 273 D C 2.257 178.625 176.300 0.114 0.000 0.964 273 D CA 1.682 55.793 54.000 0.184 0.000 0.846 273 D CB -0.026 40.855 40.800 0.135 0.000 0.962 273 D HN 0.405 nan 8.370 nan 0.000 0.490 274 V N -1.062 118.878 119.914 0.043 0.000 3.052 274 V HA 0.033 4.153 4.120 -0.000 0.000 0.254 274 V C 2.270 178.373 176.094 0.014 0.000 1.100 274 V CA 0.172 62.494 62.300 0.037 0.000 1.112 274 V CB -0.577 31.266 31.823 0.033 0.000 0.738 274 V HN -0.017 nan 8.190 nan 0.000 0.469 275 L N 1.689 122.899 121.223 -0.023 0.000 1.997 275 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 275 L C 0.077 176.917 176.870 -0.049 0.000 1.074 275 L CA 2.860 57.668 54.840 -0.053 0.000 0.763 275 L CB -1.703 40.289 42.059 -0.113 0.000 0.890 275 L HN 0.281 nan 8.230 nan 0.000 0.434 276 P HA -0.214 nan 4.420 nan 0.000 0.215 276 P C 1.473 178.777 177.300 0.006 0.000 1.153 276 P CA 1.735 64.826 63.100 -0.015 0.000 0.853 276 P CB -0.042 31.690 31.700 0.053 0.000 0.788 277 E N -0.461 119.753 120.200 0.024 0.000 2.110 277 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 277 E C 1.852 178.457 176.600 0.008 0.000 0.988 277 E CA 1.011 57.424 56.400 0.021 0.000 0.804 277 E CB -0.488 29.230 29.700 0.030 0.000 0.745 277 E HN 0.156 nan 8.360 nan 0.000 0.458 278 I N 0.010 120.581 120.570 0.003 0.000 2.286 278 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 278 I C 2.272 178.375 176.117 -0.023 0.000 1.104 278 I CA 0.372 61.669 61.300 -0.004 0.000 1.397 278 I CB 0.009 38.011 38.000 0.003 0.000 1.072 278 I HN 0.037 nan 8.210 nan 0.000 0.417 279 V N 1.042 120.935 119.914 -0.035 0.000 2.332 279 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 279 V C 2.512 178.584 176.094 -0.037 0.000 1.055 279 V CA 2.348 64.618 62.300 -0.050 0.000 1.038 279 V CB -0.668 31.117 31.823 -0.062 0.000 0.651 279 V HN 0.522 nan 8.190 nan 0.000 0.450 280 E N 0.761 120.948 120.200 -0.022 0.000 2.051 280 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 280 E C 2.135 178.725 176.600 -0.016 0.000 0.991 280 E CA 1.604 57.995 56.400 -0.015 0.000 0.799 280 E CB -0.408 29.290 29.700 -0.003 0.000 0.748 280 E HN 0.515 nan 8.360 nan 0.000 0.449 281 A N 0.335 123.147 122.820 -0.013 0.000 1.972 281 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 281 A C 2.382 179.954 177.584 -0.021 0.000 1.169 281 A CA 1.506 53.536 52.037 -0.013 0.000 0.635 281 A CB -0.447 18.550 19.000 -0.005 0.000 0.810 281 A HN 0.269 nan 8.150 nan 0.000 0.446 282 V N -0.651 119.246 119.914 -0.028 0.000 3.052 282 V HA -0.058 4.062 4.120 -0.000 0.000 0.254 282 V C 0.591 176.662 176.094 -0.038 0.000 1.100 282 V CA 1.052 63.331 62.300 -0.035 0.000 1.112 282 V CB -0.892 30.904 31.823 -0.045 0.000 0.738 282 V HN 0.740 nan 8.190 nan 0.000 0.469 283 E N -0.400 119.779 120.200 -0.035 0.000 2.360 283 E HA -0.275 4.075 4.350 -0.000 0.000 0.238 283 E C 1.114 177.692 176.600 -0.036 0.000 1.186 283 E CA 0.283 56.664 56.400 -0.032 0.000 0.719 283 E CB -1.609 28.074 29.700 -0.027 0.000 1.236 283 E HN 0.804 nan 8.360 nan 0.000 0.386 284 G N -0.081 108.692 108.800 -0.045 0.000 2.180 284 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.263 284 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.263 284 G C 0.816 175.688 174.900 -0.046 0.000 0.989 284 G CA 1.011 46.082 45.100 -0.048 0.000 0.692 284 G HN 0.410 nan 8.290 nan 0.000 0.526 285 K N -0.755 119.618 120.400 -0.045 0.000 2.243 285 K HA 0.312 4.632 4.320 -0.000 0.000 0.201 285 K C 1.260 177.834 176.600 -0.044 0.000 1.051 285 K CA 1.405 57.668 56.287 -0.039 0.000 0.970 285 K CB 0.354 32.833 32.500 -0.036 0.000 0.755 285 K HN 0.877 nan 8.250 nan 0.000 0.465 286 V N -1.460 118.418 119.914 -0.060 0.000 3.130 286 V HA 0.352 4.472 4.120 -0.000 0.000 0.310 286 V C -0.972 175.043 176.094 -0.130 0.000 1.158 286 V CA -1.296 60.961 62.300 -0.073 0.000 1.029 286 V CB 2.134 33.923 31.823 -0.057 0.000 1.057 286 V HN 0.006 nan 8.190 nan 0.000 0.436 287 E N 0.915 121.007 120.200 -0.180 0.000 2.366 287 E HA 0.541 4.891 4.350 -0.000 0.000 0.266 287 E C -1.091 175.153 176.600 -0.595 0.000 1.051 287 E CA -0.475 55.697 56.400 -0.379 0.000 0.884 287 E CB 1.995 31.451 29.700 -0.407 0.000 1.006 287 E HN 0.563 nan 8.360 nan 0.000 0.417 288 V N 3.612 123.123 119.914 -0.671 0.000 2.555 288 V HA 0.441 4.561 4.120 -0.000 0.000 0.302 288 V C -0.666 175.019 176.094 -0.682 0.000 1.038 288 V CA -0.630 61.351 62.300 -0.533 0.000 0.887 288 V CB 0.668 32.352 31.823 -0.233 0.000 0.991 288 V HN 0.505 nan 8.190 nan 0.000 0.434 289 F N 3.850 123.839 119.950 0.065 0.000 2.631 289 F HA 0.818 5.345 4.527 -0.000 0.000 0.328 289 F C -0.272 175.593 175.800 0.108 0.000 1.067 289 F CA -0.968 57.099 58.000 0.112 0.000 0.969 289 F CB 2.023 41.203 39.000 0.298 0.000 1.332 289 F HN 0.366 nan 8.300 nan 0.000 0.490 290 L N 1.571 122.989 121.223 0.325 0.000 2.445 290 L HA 0.631 4.971 4.340 -0.000 0.000 0.262 290 L C -1.903 175.104 176.870 0.230 0.000 0.974 290 L CA -0.401 54.566 54.840 0.211 0.000 0.822 290 L CB 2.010 44.145 42.059 0.126 0.000 1.339 290 L HN 0.823 nan 8.230 nan 0.000 0.409 291 D N 2.223 122.727 120.400 0.174 0.000 2.614 291 D HA 0.811 5.451 4.640 -0.000 0.000 0.264 291 D C -0.283 176.092 176.300 0.125 0.000 1.092 291 D CA -0.131 53.953 54.000 0.141 0.000 1.071 291 D CB 1.809 42.669 40.800 0.100 0.000 1.443 291 D HN 0.961 nan 8.370 nan 0.000 0.528 292 G N -1.761 107.104 108.800 0.109 0.000 3.055 292 G HA2 0.455 4.415 3.960 -0.000 0.000 0.654 292 G HA3 0.455 4.415 3.960 -0.000 0.000 0.654 292 G C 0.761 175.794 174.900 0.222 0.000 1.134 292 G CA 0.330 45.505 45.100 0.126 0.000 1.049 292 G HN 1.825 nan 8.290 nan 0.000 0.458 293 G N -0.862 108.044 108.800 0.177 0.000 2.175 293 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.244 293 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.244 293 G C 0.652 175.583 174.900 0.052 0.000 0.982 293 G CA 0.419 45.652 45.100 0.223 0.000 0.641 293 G HN 1.953 nan 8.290 nan 0.000 0.527 294 V N 1.918 121.812 119.914 -0.033 0.000 2.421 294 V HA 0.403 4.523 4.120 -0.000 0.000 0.271 294 V C 1.342 177.340 176.094 -0.160 0.000 1.031 294 V CA 0.490 62.649 62.300 -0.235 0.000 1.032 294 V CB 1.019 32.743 31.823 -0.165 0.000 1.009 294 V HN 0.401 nan 8.190 nan 0.000 0.477 295 R N 3.060 123.441 120.500 -0.198 0.000 2.612 295 R HA 0.325 4.665 4.340 -0.000 0.000 0.260 295 R C 0.108 176.352 176.300 -0.093 0.000 0.943 295 R CA -0.014 56.031 56.100 -0.092 0.000 1.036 295 R CB 0.775 31.058 30.300 -0.028 0.000 1.520 295 R HN 0.515 nan 8.270 nan 0.000 0.563 296 K N -0.752 119.560 120.400 -0.148 0.000 2.443 296 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 296 K C 0.785 177.335 176.600 -0.082 0.000 0.972 296 K CA -0.282 55.952 56.287 -0.089 0.000 0.833 296 K CB 2.063 34.522 32.500 -0.068 0.000 1.317 296 K HN -0.058 nan 8.250 nan 0.000 0.441 297 G N 0.171 108.972 108.800 0.002 0.000 2.442 297 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 297 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 297 G C 1.330 176.312 174.900 0.138 0.000 1.141 297 G CA 1.887 47.050 45.100 0.105 0.000 0.763 297 G HN 0.736 nan 8.290 nan 0.000 0.554 298 T N -1.025 113.568 114.554 0.065 0.000 2.962 298 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 298 T C 1.728 176.447 174.700 0.032 0.000 1.088 298 T CA 1.528 63.674 62.100 0.078 0.000 1.127 298 T CB -0.164 68.744 68.868 0.067 0.000 0.883 298 T HN 0.168 nan 8.240 nan 0.000 0.493 299 D N 1.487 121.802 120.400 -0.142 0.000 2.097 299 D HA -0.050 4.590 4.640 -0.000 0.000 0.195 299 D C 2.377 178.568 176.300 -0.182 0.000 0.989 299 D CA 0.877 54.619 54.000 -0.429 0.000 0.827 299 D CB -0.576 39.650 40.800 -0.957 0.000 0.966 299 D HN 0.320 nan 8.370 nan 0.000 0.456 300 V N 1.300 121.107 119.914 -0.178 0.000 2.287 300 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 300 V C 2.528 178.583 176.094 -0.064 0.000 1.053 300 V CA 1.188 63.342 62.300 -0.244 0.000 1.027 300 V CB -0.549 30.900 31.823 -0.623 0.000 0.646 300 V HN 0.124 nan 8.190 nan 0.000 0.447 301 L N 0.197 121.527 121.223 0.179 0.000 2.042 301 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 301 L C 2.408 179.369 176.870 0.150 0.000 1.076 301 L CA 1.985 57.005 54.840 0.302 0.000 0.749 301 L CB -0.720 41.510 42.059 0.284 0.000 0.893 301 L HN 0.243 nan 8.230 nan 0.000 0.432 302 K N -0.648 119.831 120.400 0.132 0.000 2.057 302 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 302 K C 2.087 178.674 176.600 -0.021 0.000 1.049 302 K CA 1.293 57.632 56.287 0.085 0.000 0.931 302 K CB -0.416 32.200 32.500 0.192 0.000 0.714 302 K HN 0.466 nan 8.250 nan 0.000 0.440 303 A N 1.046 123.899 122.820 0.055 0.000 1.898 303 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 303 A C 2.039 179.594 177.584 -0.049 0.000 1.181 303 A CA 1.276 53.309 52.037 -0.007 0.000 0.620 303 A CB -0.389 18.655 19.000 0.074 0.000 0.819 303 A HN 0.094 nan 8.150 nan 0.000 0.442 304 L N -0.567 120.646 121.223 -0.016 0.000 2.109 304 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 304 L C 2.936 179.801 176.870 -0.008 0.000 1.086 304 L CA 1.604 56.440 54.840 -0.006 0.000 0.760 304 L CB -0.744 41.340 42.059 0.043 0.000 0.910 304 L HN 0.373 nan 8.230 nan 0.000 0.437 305 A N -0.684 122.136 122.820 0.001 0.000 1.902 305 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 305 A C 2.199 179.745 177.584 -0.062 0.000 1.181 305 A CA 1.541 53.573 52.037 -0.008 0.000 0.623 305 A CB -0.783 18.228 19.000 0.018 0.000 0.818 305 A HN 0.386 nan 8.150 nan 0.000 0.443 306 L N -1.777 119.363 121.223 -0.139 0.000 2.552 306 L HA 0.129 4.469 4.340 -0.000 0.000 0.227 306 L C 1.737 178.532 176.870 -0.125 0.000 1.146 306 L CA 0.690 55.413 54.840 -0.194 0.000 0.858 306 L CB -0.034 41.791 42.059 -0.390 0.000 0.969 306 L HN 0.636 nan 8.230 nan 0.000 0.451 307 G N -1.156 107.588 108.800 -0.093 0.000 2.318 307 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.172 307 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.172 307 G C 0.387 175.230 174.900 -0.095 0.000 1.002 307 G CA -0.233 44.818 45.100 -0.080 0.000 0.697 307 G HN 0.372 nan 8.290 nan 0.000 0.483 308 A N 0.286 123.050 122.820 -0.092 0.000 2.520 308 A HA 0.616 4.936 4.320 -0.000 0.000 0.235 308 A C 1.286 178.818 177.584 -0.086 0.000 1.065 308 A CA 1.588 53.568 52.037 -0.096 0.000 0.764 308 A CB 0.589 19.563 19.000 -0.043 0.000 1.002 308 A HN 0.480 nan 8.150 nan 0.000 0.502 309 K N 0.666 120.988 120.400 -0.131 0.000 2.166 309 K HA 0.390 4.710 4.320 -0.000 0.000 0.201 309 K C 0.378 177.010 176.600 0.053 0.000 1.052 309 K CA 1.496 57.750 56.287 -0.055 0.000 0.969 309 K CB 0.110 32.529 32.500 -0.135 0.000 0.761 309 K HN 1.082 nan 8.250 nan 0.000 0.459 310 A N -0.502 122.402 122.820 0.141 0.000 2.601 310 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 310 A C -1.401 176.165 177.584 -0.031 0.000 1.075 310 A CA -0.431 51.615 52.037 0.016 0.000 0.671 310 A CB 1.097 20.075 19.000 -0.036 0.000 1.277 310 A HN 0.162 nan 8.150 nan 0.000 0.417 311 V N -1.609 118.165 119.914 -0.234 0.000 2.919 311 V HA 0.957 5.077 4.120 -0.000 0.000 0.316 311 V C -0.952 174.879 176.094 -0.439 0.000 1.077 311 V CA -0.967 61.217 62.300 -0.194 0.000 0.977 311 V CB 1.430 33.181 31.823 -0.120 0.000 1.039 311 V HN 0.739 nan 8.190 nan 0.000 0.441 312 F N 2.216 122.116 119.950 -0.083 0.000 2.469 312 F HA 0.751 5.279 4.527 0.000 0.000 0.332 312 F C 0.236 175.971 175.800 -0.108 0.000 1.103 312 F CA -0.786 57.138 58.000 -0.126 0.000 0.979 312 F CB 2.220 41.101 39.000 -0.199 0.000 1.137 312 F HN 0.664 nan 8.300 nan 0.000 0.463 313 V N 0.319 120.261 119.914 0.048 0.000 2.483 313 V HA 0.896 5.016 4.120 -0.000 0.000 0.295 313 V C 0.099 176.166 176.094 -0.046 0.000 1.035 313 V CA -0.148 62.139 62.300 -0.022 0.000 0.896 313 V CB 0.958 32.737 31.823 -0.074 0.000 0.986 313 V HN 0.871 nan 8.190 nan 0.000 0.447 314 G N 3.152 111.899 108.800 -0.090 0.000 2.651 314 G HA2 0.099 4.059 3.960 -0.000 0.000 0.226 314 G HA3 0.099 4.059 3.960 -0.000 0.000 0.226 314 G C 1.188 175.924 174.900 -0.273 0.000 1.542 314 G CA -0.088 44.922 45.100 -0.150 0.000 0.868 314 G HN 0.640 nan 8.290 nan 0.000 0.588 315 R N 0.976 121.272 120.500 -0.340 0.000 2.105 315 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 315 R C -0.234 175.551 176.300 -0.859 0.000 1.135 315 R CA 1.735 57.419 56.100 -0.692 0.000 0.967 315 R CB -0.923 29.063 30.300 -0.524 0.000 0.861 315 R HN 0.309 nan 8.270 nan 0.000 0.442 316 P HA -0.157 nan 4.420 nan 0.000 0.218 316 P C 0.959 178.145 177.300 -0.190 0.000 1.148 316 P CA 1.094 64.093 63.100 -0.168 0.000 0.822 316 P CB -0.009 31.645 31.700 -0.076 0.000 0.784 317 I N -1.205 119.223 120.570 -0.236 0.000 2.252 317 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 317 I C 2.249 178.255 176.117 -0.186 0.000 1.102 317 I CA 1.321 62.516 61.300 -0.175 0.000 1.385 317 I CB -1.621 36.289 38.000 -0.150 0.000 1.064 317 I HN -0.119 nan 8.210 nan 0.000 0.414 318 V N -0.206 119.482 119.914 -0.377 0.000 2.407 318 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 318 V C 2.325 178.352 176.094 -0.111 0.000 1.055 318 V CA 1.627 63.650 62.300 -0.461 0.000 1.049 318 V CB -0.881 30.333 31.823 -1.015 0.000 0.662 318 V HN 0.424 nan 8.190 nan 0.000 0.455 319 W N 0.498 121.800 121.300 0.004 0.000 2.388 319 W HA 0.019 4.679 4.660 -0.000 0.000 0.294 319 W C 2.524 179.195 176.519 0.252 0.000 1.212 319 W CA 0.352 57.786 57.345 0.149 0.000 1.271 319 W CB -0.613 28.953 29.460 0.177 0.000 1.126 319 W HN 0.297 nan 8.180 nan 0.000 0.535 320 G N 0.663 109.670 108.800 0.344 0.000 2.402 320 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 320 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 320 G C 1.372 176.440 174.900 0.280 0.000 1.162 320 G CA 0.729 46.005 45.100 0.293 0.000 0.777 320 G HN 0.027 nan 8.290 nan 0.000 0.539 321 L N 1.488 122.802 121.223 0.153 0.000 1.989 321 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 321 L C 3.179 180.185 176.870 0.226 0.000 1.071 321 L CA 1.999 56.894 54.840 0.092 0.000 0.749 321 L CB -0.971 41.121 42.059 0.055 0.000 0.890 321 L HN 0.277 nan 8.230 nan 0.000 0.431 322 A N -1.951 121.068 122.820 0.332 0.000 2.015 322 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 322 A C 2.202 180.023 177.584 0.395 0.000 1.163 322 A CA 1.553 53.824 52.037 0.390 0.000 0.646 322 A CB -0.841 18.428 19.000 0.447 0.000 0.806 322 A HN 0.458 nan 8.150 nan 0.000 0.448 323 F N -0.726 119.373 119.950 0.249 0.000 2.149 323 F HA 0.104 4.631 4.527 -0.000 0.000 0.294 323 F C 1.637 177.517 175.800 0.133 0.000 1.095 323 F CA 1.755 59.849 58.000 0.156 0.000 1.276 323 F CB 0.208 39.261 39.000 0.089 0.000 1.023 323 F HN 0.252 nan 8.300 nan 0.000 0.480 324 Q N -0.475 119.365 119.800 0.066 0.000 2.052 324 Q HA 0.247 4.587 4.340 -0.000 0.000 0.250 324 Q C 0.606 176.549 176.000 -0.095 0.000 0.851 324 Q CA 0.174 55.929 55.803 -0.081 0.000 1.029 324 Q CB 0.648 29.302 28.738 -0.139 0.000 1.274 324 Q HN 0.532 nan 8.270 nan 0.000 0.411 325 G N 1.883 110.508 108.800 -0.291 0.000 2.685 325 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.329 325 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.329 325 G C 0.695 175.405 174.900 -0.316 0.000 1.271 325 G CA 0.903 45.497 45.100 -0.843 0.000 1.003 325 G HN 0.505 nan 8.290 nan 0.000 0.549 326 E N 0.374 120.424 120.200 -0.249 0.000 2.077 326 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 326 E C 2.455 179.022 176.600 -0.054 0.000 0.989 326 E CA 1.571 57.903 56.400 -0.112 0.000 0.800 326 E CB -0.191 29.464 29.700 -0.075 0.000 0.746 326 E HN 0.513 nan 8.360 nan 0.000 0.452 327 K N -0.388 119.992 120.400 -0.033 0.000 2.217 327 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 327 K C 1.957 178.603 176.600 0.077 0.000 1.051 327 K CA 1.024 57.322 56.287 0.018 0.000 0.952 327 K CB -0.121 32.393 32.500 0.023 0.000 0.736 327 K HN 0.178 nan 8.250 nan 0.000 0.453 328 G N 0.517 109.377 108.800 0.100 0.000 2.404 328 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 328 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 328 G C 1.429 176.381 174.900 0.086 0.000 1.174 328 G CA 0.754 46.003 45.100 0.247 0.000 0.780 328 G HN 0.163 nan 8.290 nan 0.000 0.537 329 V N 0.700 120.619 119.914 0.008 0.000 2.295 329 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 329 V C 2.760 178.816 176.094 -0.063 0.000 1.049 329 V CA 2.319 64.589 62.300 -0.050 0.000 1.024 329 V CB -0.628 31.162 31.823 -0.055 0.000 0.648 329 V HN 0.511 nan 8.190 nan 0.000 0.447 330 Q N -0.254 119.525 119.800 -0.035 0.000 2.096 330 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 330 Q C 1.951 177.931 176.000 -0.033 0.000 0.982 330 Q CA 2.094 57.879 55.803 -0.031 0.000 0.850 330 Q CB -0.125 28.605 28.738 -0.014 0.000 0.901 330 Q HN 0.637 nan 8.270 nan 0.000 0.422 331 D N -0.353 120.039 120.400 -0.013 0.000 2.097 331 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 331 D C 2.003 178.221 176.300 -0.136 0.000 0.989 331 D CA 1.162 55.156 54.000 -0.010 0.000 0.827 331 D CB -0.245 40.633 40.800 0.130 0.000 0.966 331 D HN 0.135 nan 8.370 nan 0.000 0.456 332 V N 1.204 120.943 119.914 -0.291 0.000 2.252 332 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 332 V C 2.676 178.661 176.094 -0.182 0.000 1.056 332 V CA 1.330 63.413 62.300 -0.363 0.000 1.022 332 V CB -0.505 31.085 31.823 -0.388 0.000 0.641 332 V HN 0.198 nan 8.190 nan 0.000 0.445 333 L N -0.686 120.460 121.223 -0.128 0.000 2.093 333 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 333 L C 2.527 179.363 176.870 -0.057 0.000 1.085 333 L CA 1.609 56.397 54.840 -0.086 0.000 0.755 333 L CB -0.505 41.511 42.059 -0.072 0.000 0.904 333 L HN 0.368 nan 8.230 nan 0.000 0.435 334 E N 0.172 120.344 120.200 -0.047 0.000 2.106 334 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 334 E C 2.263 178.856 176.600 -0.012 0.000 0.984 334 E CA 0.872 57.260 56.400 -0.019 0.000 0.806 334 E CB 0.034 29.729 29.700 -0.008 0.000 0.750 334 E HN 0.414 nan 8.360 nan 0.000 0.458 335 I N 0.668 121.220 120.570 -0.030 0.000 2.179 335 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 335 I C 2.202 178.314 176.117 -0.009 0.000 1.088 335 I CA 1.020 62.309 61.300 -0.018 0.000 1.357 335 I CB -0.131 37.847 38.000 -0.037 0.000 1.051 335 I HN 0.148 nan 8.210 nan 0.000 0.409 336 L N 0.393 121.598 121.223 -0.030 0.000 2.083 336 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 336 L C 2.615 179.512 176.870 0.044 0.000 1.083 336 L CA 1.383 56.213 54.840 -0.018 0.000 0.752 336 L CB -0.486 41.532 42.059 -0.068 0.000 0.899 336 L HN 0.241 nan 8.230 nan 0.000 0.433 337 K N -0.159 120.265 120.400 0.040 0.000 2.002 337 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 337 K C 2.078 178.740 176.600 0.102 0.000 1.048 337 K CA 1.332 57.674 56.287 0.092 0.000 0.930 337 K CB 0.116 32.645 32.500 0.047 0.000 0.714 337 K HN 0.130 nan 8.250 nan 0.000 0.438 338 E N 0.902 121.132 120.200 0.051 0.000 2.072 338 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 338 E C 1.919 178.538 176.600 0.033 0.000 0.985 338 E CA 1.105 57.523 56.400 0.031 0.000 0.801 338 E CB -0.067 29.643 29.700 0.017 0.000 0.750 338 E HN 0.401 nan 8.360 nan 0.000 0.452 339 E N -0.241 119.988 120.200 0.049 0.000 2.085 339 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 339 E C 1.897 178.555 176.600 0.096 0.000 0.994 339 E CA 0.894 57.327 56.400 0.055 0.000 0.801 339 E CB -0.225 29.503 29.700 0.047 0.000 0.743 339 E HN 0.157 nan 8.360 nan 0.000 0.453 340 F N 1.738 121.669 119.950 -0.032 0.000 2.128 340 F HA -0.093 4.434 4.527 0.000 0.000 0.295 340 F C 2.428 178.217 175.800 -0.019 0.000 1.100 340 F CA 1.493 59.476 58.000 -0.030 0.000 1.260 340 F CB -0.219 38.759 39.000 -0.037 0.000 1.009 340 F HN -0.225 nan 8.300 nan 0.000 0.476 341 R N 0.191 120.601 120.500 -0.150 0.000 2.096 341 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 341 R C 2.242 178.426 176.300 -0.193 0.000 1.139 341 R CA 2.097 58.064 56.100 -0.222 0.000 0.952 341 R CB -0.821 29.433 30.300 -0.077 0.000 0.854 341 R HN 0.443 nan 8.270 nan 0.000 0.436 342 L N 0.493 121.652 121.223 -0.106 0.000 2.056 342 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 342 L C 2.269 179.086 176.870 -0.089 0.000 1.078 342 L CA 2.132 56.926 54.840 -0.076 0.000 0.749 342 L CB -0.619 41.420 42.059 -0.034 0.000 0.901 342 L HN 0.281 nan 8.230 nan 0.000 0.433 343 A N -0.954 121.810 122.820 -0.094 0.000 1.969 343 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 343 A C 2.362 179.870 177.584 -0.127 0.000 1.169 343 A CA 1.950 53.946 52.037 -0.068 0.000 0.635 343 A CB -0.565 18.439 19.000 0.006 0.000 0.810 343 A HN 0.553 nan 8.150 nan 0.000 0.445 344 M N -0.847 118.585 119.600 -0.281 0.000 2.156 344 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 344 M C 2.359 178.558 176.300 -0.169 0.000 1.067 344 M CA 1.253 56.371 55.300 -0.303 0.000 1.131 344 M CB -0.153 32.108 32.600 -0.565 0.000 1.368 344 M HN 0.462 nan 8.290 nan 0.000 0.416 345 A N 0.398 123.128 122.820 -0.150 0.000 1.873 345 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 345 A C 1.916 179.465 177.584 -0.059 0.000 1.186 345 A CA 1.342 53.324 52.037 -0.091 0.000 0.616 345 A CB -1.052 17.901 19.000 -0.079 0.000 0.823 345 A HN 0.527 nan 8.150 nan 0.000 0.442 346 L N -0.169 121.022 121.223 -0.053 0.000 2.265 346 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 346 L C 2.319 179.178 176.870 -0.019 0.000 1.117 346 L CA 1.178 56.000 54.840 -0.030 0.000 0.782 346 L CB -0.304 41.740 42.059 -0.024 0.000 0.914 346 L HN 0.278 nan 8.230 nan 0.000 0.441 347 S N -0.522 115.163 115.700 -0.025 0.000 2.528 347 S HA 0.142 4.612 4.470 -0.000 0.000 0.219 347 S C 1.408 176.007 174.600 -0.001 0.000 0.985 347 S CA 0.712 58.911 58.200 -0.003 0.000 0.914 347 S CB 0.373 63.573 63.200 0.001 0.000 0.776 347 S HN 0.649 nan 8.310 nan 0.000 0.526 348 G N 0.745 109.534 108.800 -0.018 0.000 2.142 348 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.225 348 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.225 348 G C -0.092 174.798 174.900 -0.018 0.000 1.015 348 G CA -0.171 44.922 45.100 -0.013 0.000 0.716 348 G HN 0.507 nan 8.290 nan 0.000 0.508 349 C N 0.937 120.214 119.300 -0.038 0.000 2.264 349 C HA 0.506 4.966 4.460 -0.000 0.000 0.322 349 C C 1.494 176.448 174.990 -0.061 0.000 1.210 349 C CA -0.563 58.429 59.018 -0.043 0.000 1.539 349 C CB 1.260 28.970 27.740 -0.049 0.000 2.167 349 C HN 0.571 nan 8.230 nan 0.000 0.463 350 Q N 2.610 122.387 119.800 -0.040 0.000 2.230 350 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 350 Q C 0.461 176.437 176.000 -0.040 0.000 0.963 350 Q CA 1.497 57.276 55.803 -0.040 0.000 0.866 350 Q CB 0.294 29.018 28.738 -0.023 0.000 0.931 350 Q HN 0.996 nan 8.270 nan 0.000 0.452 351 N N -3.870 114.814 118.700 -0.028 0.000 2.825 351 N HA 0.123 4.863 4.740 -0.000 0.000 0.253 351 N C 0.439 175.955 175.510 0.010 0.000 1.426 351 N CA 0.005 53.050 53.050 -0.009 0.000 0.851 351 N CB 0.853 39.342 38.487 0.004 0.000 1.470 351 N HN -0.224 nan 8.380 nan 0.000 0.517 352 V N -2.333 117.609 119.914 0.046 0.000 2.720 352 V HA -0.068 4.052 4.120 -0.000 0.000 0.256 352 V C 1.456 177.582 176.094 0.053 0.000 1.082 352 V CA 1.249 63.598 62.300 0.082 0.000 1.101 352 V CB -0.876 31.024 31.823 0.127 0.000 0.693 352 V HN 0.664 nan 8.190 nan 0.000 0.479 353 K N 0.095 120.516 120.400 0.035 0.000 2.362 353 K HA 0.073 4.393 4.320 -0.000 0.000 0.200 353 K C 1.861 178.472 176.600 0.018 0.000 1.046 353 K CA 1.152 57.453 56.287 0.024 0.000 0.952 353 K CB -0.007 32.504 32.500 0.018 0.000 0.753 353 K HN 0.486 nan 8.250 nan 0.000 0.466 354 V N 1.336 121.261 119.914 0.018 0.000 3.174 354 V HA 0.027 4.147 4.120 -0.000 0.000 0.254 354 V C 0.882 176.987 176.094 0.019 0.000 1.120 354 V CA 0.179 62.487 62.300 0.013 0.000 1.114 354 V CB -0.084 31.742 31.823 0.005 0.000 0.756 354 V HN 0.189 nan 8.190 nan 0.000 0.467 355 I N 3.097 123.685 120.570 0.029 0.000 2.752 355 I HA 0.043 4.213 4.170 -0.000 0.000 0.289 355 I C 0.057 176.191 176.117 0.029 0.000 1.197 355 I CA 0.803 62.126 61.300 0.039 0.000 1.432 355 I CB 0.050 38.091 38.000 0.068 0.000 1.359 355 I HN 0.419 nan 8.210 nan 0.000 0.571 356 D N 5.095 125.512 120.400 0.029 0.000 2.583 356 D HA 0.177 4.817 4.640 -0.000 0.000 0.248 356 D C -0.104 176.209 176.300 0.021 0.000 1.209 356 D CA -0.839 53.172 54.000 0.019 0.000 0.848 356 D CB 1.175 41.985 40.800 0.016 0.000 1.431 356 D HN 0.327 nan 8.370 nan 0.000 0.436 357 K N -0.557 119.850 120.400 0.011 0.000 2.281 357 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 357 K C 1.740 178.357 176.600 0.029 0.000 1.046 357 K CA 1.862 58.157 56.287 0.013 0.000 0.938 357 K CB -0.334 32.170 32.500 0.008 0.000 0.737 357 K HN 0.680 nan 8.250 nan 0.000 0.458 358 T N -0.991 113.575 114.554 0.021 0.000 3.160 358 T HA 0.059 4.409 4.350 -0.000 0.000 0.257 358 T C 1.662 176.388 174.700 0.042 0.000 1.147 358 T CA 0.278 62.381 62.100 0.005 0.000 1.064 358 T CB -0.147 68.718 68.868 -0.006 0.000 0.949 358 T HN 0.091 nan 8.240 nan 0.000 0.526 359 L N 1.355 122.630 121.223 0.086 0.000 2.376 359 L HA 0.204 4.544 4.340 -0.000 0.000 0.219 359 L C 0.713 177.728 176.870 0.242 0.000 1.133 359 L CA 0.101 55.032 54.840 0.152 0.000 0.816 359 L CB -0.152 41.976 42.059 0.115 0.000 0.933 359 L HN 0.369 nan 8.230 nan 0.000 0.449 360 V N -2.887 117.154 119.914 0.212 0.000 2.876 360 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 360 V C -0.674 175.617 176.094 0.328 0.000 1.085 360 V CA -0.913 61.589 62.300 0.338 0.000 0.945 360 V CB 2.309 34.306 31.823 0.290 0.000 1.017 360 V HN 0.055 nan 8.190 nan 0.000 0.428 361 R N 1.279 122.035 120.500 0.426 0.000 2.584 361 R HA 0.524 4.864 4.340 -0.000 0.000 0.276 361 R C -1.186 175.178 176.300 0.106 0.000 1.046 361 R CA -0.736 55.499 56.100 0.226 0.000 0.906 361 R CB 2.475 32.752 30.300 -0.037 0.000 1.215 361 R HN 0.925 nan 8.270 nan 0.000 0.449 362 K N 2.319 122.526 120.400 -0.321 0.000 2.276 362 K HA 0.185 4.505 4.320 -0.000 0.000 0.285 362 K C -0.005 176.392 176.600 -0.339 0.000 1.062 362 K CA -0.489 55.364 56.287 -0.724 0.000 0.918 362 K CB 0.616 32.256 32.500 -1.433 0.000 1.055 362 K HN 0.417 nan 8.250 nan 0.000 0.477 363 N N 0.000 118.559 118.700 -0.235 0.000 1.763 363 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 363 N CA 0.000 52.967 53.050 -0.139 0.000 0.885 363 N CB 0.000 38.445 38.487 -0.071 0.000 1.341 363 N HN 0.000 nan 8.380 nan 0.000 0.667