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 3a8k_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDNLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.459 177.584 -0.209 0.000 1.274 1 A CA 0.000 51.949 52.037 -0.146 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 2 Q N 1.267 120.827 119.800 -0.400 0.000 2.193 2 Q HA 0.739 4.964 4.340 -0.192 0.000 0.246 2 Q C -0.383 175.537 176.000 -0.134 0.000 0.959 2 Q CA -0.832 54.712 55.803 -0.431 0.000 0.904 2 Q CB 1.106 29.376 28.738 -0.781 0.000 1.238 2 Q HN 0.827 nan 8.270 nan 0.000 0.469 3 Q N -0.319 119.529 119.800 0.080 0.000 2.413 3 Q HA 0.485 4.710 4.340 -0.192 0.000 0.276 3 Q C -0.715 175.588 176.000 0.504 0.000 1.099 3 Q CA -0.941 55.080 55.803 0.363 0.000 0.814 3 Q CB 1.841 30.668 28.738 0.149 0.000 1.379 3 Q HN 0.782 nan 8.270 nan 0.000 0.436 4 T N -2.050 112.803 114.554 0.497 0.000 2.754 4 T HA 0.260 4.495 4.350 -0.192 0.000 0.286 4 T C -1.723 173.112 174.700 0.225 0.000 0.997 4 T CA -1.245 61.056 62.100 0.335 0.000 0.982 4 T CB 0.316 69.301 68.868 0.195 0.000 1.027 4 T HN 0.468 nan 8.240 nan 0.000 0.529 5 P HA 0.117 nan 4.420 nan 0.000 0.228 5 P C 1.004 178.321 177.300 0.028 0.000 1.151 5 P CA 0.693 63.848 63.100 0.092 0.000 0.770 5 P CB -0.069 31.678 31.700 0.078 0.000 0.786 6 L N -3.315 117.885 121.223 -0.037 0.000 2.592 6 L HA 0.048 4.273 4.340 -0.192 0.000 0.227 6 L C 2.015 178.667 176.870 -0.363 0.000 1.127 6 L CA 0.013 54.641 54.840 -0.353 0.000 0.884 6 L CB -0.509 41.129 42.059 -0.702 0.000 1.065 6 L HN -0.027 nan 8.230 nan 0.000 0.457 7 Y N 1.474 121.715 120.300 -0.099 0.000 2.151 7 Y HA -0.370 4.064 4.550 -0.193 0.000 0.284 7 Y C 2.562 178.446 175.900 -0.027 0.000 1.166 7 Y CA 2.316 60.432 58.100 0.027 0.000 1.163 7 Y CB 0.161 38.659 38.460 0.063 0.000 0.974 7 Y HN 0.268 nan 8.280 nan 0.000 0.511 8 E N -0.754 119.531 120.200 0.142 0.000 2.072 8 E HA -0.229 4.006 4.350 -0.192 0.000 0.190 8 E C 2.167 178.729 176.600 -0.063 0.000 0.982 8 E CA 0.988 57.430 56.400 0.069 0.000 0.803 8 E CB -0.077 29.683 29.700 0.100 0.000 0.755 8 E HN 0.513 nan 8.360 nan 0.000 0.453 9 Q N 0.038 119.734 119.800 -0.174 0.000 2.096 9 Q HA -0.200 4.025 4.340 -0.192 0.000 0.204 9 Q C 2.109 177.995 176.000 -0.190 0.000 0.982 9 Q CA 1.346 57.020 55.803 -0.215 0.000 0.850 9 Q CB -0.408 28.080 28.738 -0.416 0.000 0.901 9 Q HN 0.547 nan 8.270 nan 0.000 0.422 10 H N -0.177 118.765 119.070 -0.213 0.000 2.353 10 H HA -0.076 4.364 4.556 -0.192 0.000 0.300 10 H C 2.360 177.657 175.328 -0.053 0.000 1.090 10 H CA 2.000 57.998 56.048 -0.083 0.000 1.327 10 H CB -0.600 28.996 29.762 -0.276 0.000 1.383 10 H HN 0.453 nan 8.280 nan 0.000 0.508 11 T N -0.121 114.390 114.554 -0.072 0.000 2.708 11 T HA -0.141 4.094 4.350 -0.192 0.000 0.266 11 T C 2.152 176.874 174.700 0.038 0.000 1.037 11 T CA 1.173 63.236 62.100 -0.062 0.000 1.146 11 T CB -0.758 68.045 68.868 -0.107 0.000 0.865 11 T HN 0.143 nan 8.240 nan 0.000 0.435 12 L N 0.881 122.136 121.223 0.054 0.000 2.187 12 L HA 0.110 4.335 4.340 -0.192 0.000 0.213 12 L C 2.084 179.031 176.870 0.128 0.000 1.100 12 L CA 0.947 55.836 54.840 0.081 0.000 0.765 12 L CB -0.939 41.164 42.059 0.074 0.000 0.904 12 L HN 0.497 nan 8.230 nan 0.000 0.437 13 C N 0.521 119.947 119.300 0.209 0.000 2.697 13 C HA 0.527 4.872 4.460 -0.192 0.000 0.267 13 C C 1.658 176.852 174.990 0.340 0.000 1.278 13 C CA 0.150 59.333 59.018 0.275 0.000 1.708 13 C CB -1.670 26.294 27.740 0.373 0.000 1.860 13 C HN 0.858 nan 8.230 nan 0.000 0.589 14 G N 0.826 109.768 108.800 0.236 0.000 2.142 14 G HA2 -0.010 3.835 3.960 -0.192 0.000 0.225 14 G HA3 -0.010 3.835 3.960 -0.192 0.000 0.225 14 G C 0.109 175.062 174.900 0.089 0.000 1.015 14 G CA 0.115 45.312 45.100 0.163 0.000 0.716 14 G HN 0.899 nan 8.290 nan 0.000 0.508 15 A N -0.340 122.461 122.820 -0.030 0.000 2.498 15 A HA 0.654 4.859 4.320 -0.192 0.000 0.239 15 A C 0.731 178.107 177.584 -0.347 0.000 1.068 15 A CA 0.322 52.076 52.037 -0.471 0.000 0.766 15 A CB 0.259 18.899 19.000 -0.599 0.000 1.003 15 A HN 0.486 nan 8.150 nan 0.000 0.497 16 R N 2.288 122.511 120.500 -0.461 0.000 2.196 16 R HA 0.355 4.580 4.340 -0.192 0.000 0.340 16 R C -0.241 175.842 176.300 -0.361 0.000 1.043 16 R CA -0.207 55.662 56.100 -0.384 0.000 0.883 16 R CB 0.443 30.427 30.300 -0.528 0.000 1.078 16 R HN 0.658 nan 8.270 nan 0.000 0.462 17 M N 3.193 122.651 119.600 -0.236 0.000 2.211 17 M HA 0.316 4.681 4.480 -0.192 0.000 0.356 17 M C 0.036 176.287 176.300 -0.082 0.000 1.216 17 M CA -0.684 54.516 55.300 -0.168 0.000 1.134 17 M CB 1.171 33.715 32.600 -0.092 0.000 1.564 17 M HN 0.394 nan 8.290 nan 0.000 0.463 18 V N -0.540 119.347 119.914 -0.044 0.000 3.001 18 V HA 0.564 4.569 4.120 -0.192 0.000 0.314 18 V C -0.498 175.655 176.094 0.097 0.000 1.099 18 V CA -1.159 61.156 62.300 0.024 0.000 0.989 18 V CB 2.111 33.950 31.823 0.026 0.000 1.040 18 V HN 0.754 nan 8.190 nan 0.000 0.434 19 D N 1.976 122.439 120.400 0.106 0.000 2.382 19 D HA 0.190 4.715 4.640 -0.192 0.000 0.259 19 D C -1.153 175.281 176.300 0.223 0.000 1.224 19 D CA 0.223 54.306 54.000 0.138 0.000 0.894 19 D CB 0.565 41.408 40.800 0.072 0.000 1.127 19 D HN 0.589 nan 8.370 nan 0.000 0.487 20 F N 5.612 125.637 119.950 0.126 0.000 2.430 20 F HA 0.233 4.635 4.527 -0.209 0.000 0.362 20 F C -0.090 175.895 175.800 0.308 0.000 1.103 20 F CA -0.637 57.453 58.000 0.150 0.000 1.045 20 F CB 0.084 39.182 39.000 0.164 0.000 1.276 20 F HN 0.459 nan 8.300 nan 0.000 0.444 21 H N 3.827 122.766 119.070 -0.217 0.000 2.692 21 H HA -0.184 4.259 4.556 -0.188 0.000 0.316 21 H C 1.435 176.794 175.328 0.052 0.000 1.176 21 H CA 1.051 57.021 56.048 -0.130 0.000 1.142 21 H CB -1.095 28.535 29.762 -0.219 0.000 1.475 21 H HN 1.162 nan 8.280 nan 0.000 0.423 22 G N -1.284 107.555 108.800 0.064 0.000 2.155 22 G HA2 -0.297 3.548 3.960 -0.192 0.000 0.257 22 G HA3 -0.297 3.548 3.960 -0.192 0.000 0.257 22 G C -0.081 174.660 174.900 -0.265 0.000 0.983 22 G CA 0.514 45.557 45.100 -0.094 0.000 0.676 22 G HN 0.485 nan 8.290 nan 0.000 0.528 23 W N -0.187 121.186 121.300 0.121 0.000 2.532 23 W HA 0.769 5.323 4.660 -0.177 0.000 0.321 23 W C 0.256 176.852 176.519 0.129 0.000 1.037 23 W CA -1.381 56.043 57.345 0.132 0.000 1.220 23 W CB 1.069 30.627 29.460 0.164 0.000 1.361 23 W HN -0.095 nan 8.180 nan 0.000 0.468 24 M N 5.243 125.040 119.600 0.329 0.000 2.251 24 M HA 0.234 4.599 4.480 -0.192 0.000 0.346 24 M C -0.285 176.161 176.300 0.244 0.000 1.499 24 M CA 0.391 55.857 55.300 0.276 0.000 1.128 24 M CB -0.436 32.371 32.600 0.345 0.000 1.809 24 M HN 0.323 nan 8.290 nan 0.000 0.464 25 M N 4.584 124.246 119.600 0.102 0.000 2.593 25 M HA 0.524 4.889 4.480 -0.192 0.000 0.290 25 M C -2.501 173.668 176.300 -0.219 0.000 1.244 25 M CA -2.002 53.250 55.300 -0.080 0.000 0.857 25 M CB 2.057 34.594 32.600 -0.105 0.000 1.738 25 M HN 0.152 nan 8.290 nan 0.000 0.461 26 P HA 0.133 nan 4.420 nan 0.000 0.276 26 P C 0.449 177.540 177.300 -0.348 0.000 1.243 26 P CA -0.248 62.538 63.100 -0.525 0.000 0.768 26 P CB 0.630 31.840 31.700 -0.818 0.000 0.856 27 L N 5.113 126.141 121.223 -0.325 0.000 2.131 27 L HA 0.081 4.306 4.340 -0.192 0.000 0.206 27 L C 0.557 177.390 176.870 -0.062 0.000 1.087 27 L CA 1.796 56.530 54.840 -0.176 0.000 0.767 27 L CB -0.687 41.275 42.059 -0.163 0.000 0.917 27 L HN 0.616 nan 8.230 nan 0.000 0.441 28 H N -6.031 112.938 119.070 -0.169 0.000 2.863 28 H HA 0.336 4.775 4.556 -0.194 0.000 0.274 28 H C -1.410 173.772 175.328 -0.243 0.000 1.457 28 H CA -0.924 55.081 56.048 -0.072 0.000 1.151 28 H CB -0.187 29.595 29.762 0.034 0.000 1.844 28 H HN -0.133 nan 8.280 nan 0.000 0.562 29 Y N -0.031 120.426 120.300 0.262 0.000 2.713 29 Y HA 0.558 4.991 4.550 -0.196 0.000 0.269 29 Y C 1.310 177.347 175.900 0.230 0.000 1.106 29 Y CA 0.321 58.524 58.100 0.171 0.000 1.174 29 Y CB 1.221 39.750 38.460 0.115 0.000 1.186 29 Y HN 1.147 nan 8.280 nan 0.000 0.555 30 G N -0.507 108.628 108.800 0.558 0.000 3.288 30 G HA2 -0.118 3.727 3.960 -0.192 0.000 0.195 30 G HA3 -0.118 3.727 3.960 -0.192 0.000 0.195 30 G C -0.057 174.832 174.900 -0.020 0.000 1.093 30 G CA 0.053 45.292 45.100 0.232 0.000 0.852 30 G HN 0.307 nan 8.290 nan 0.000 0.453 31 S N 0.480 116.142 115.700 -0.064 0.000 2.545 31 S HA 0.423 4.778 4.470 -0.192 0.000 0.259 31 S C 0.872 175.428 174.600 -0.073 0.000 1.092 31 S CA 0.833 58.937 58.200 -0.160 0.000 1.054 31 S CB 0.922 64.084 63.200 -0.063 0.000 1.146 31 S HN 0.899 nan 8.310 nan 0.000 0.447 32 Q N 4.509 124.224 119.800 -0.141 0.000 2.226 32 Q HA -0.070 4.155 4.340 -0.192 0.000 0.204 32 Q C 1.226 177.283 176.000 0.095 0.000 0.975 32 Q CA 1.349 57.182 55.803 0.050 0.000 0.866 32 Q CB -0.197 28.577 28.738 0.061 0.000 0.915 32 Q HN 0.711 nan 8.270 nan 0.000 0.440 33 I N 1.952 122.544 120.570 0.037 0.000 2.202 33 I HA -0.234 3.821 4.170 -0.192 0.000 0.242 33 I C 2.177 178.366 176.117 0.120 0.000 1.091 33 I CA 1.471 62.809 61.300 0.065 0.000 1.368 33 I CB -1.289 36.715 38.000 0.007 0.000 1.058 33 I HN 0.389 nan 8.210 nan 0.000 0.410 34 D N 0.937 121.378 120.400 0.067 0.000 2.123 34 D HA -0.208 4.317 4.640 -0.192 0.000 0.196 34 D C 2.011 178.396 176.300 0.142 0.000 0.992 34 D CA 1.293 55.343 54.000 0.084 0.000 0.833 34 D CB 0.217 41.040 40.800 0.038 0.000 0.954 34 D HN 0.442 nan 8.370 nan 0.000 0.455 35 E N -0.665 119.612 120.200 0.128 0.000 2.085 35 E HA -0.222 4.013 4.350 -0.192 0.000 0.194 35 E C 2.030 178.730 176.600 0.166 0.000 0.994 35 E CA 1.024 57.494 56.400 0.117 0.000 0.801 35 E CB -0.207 29.571 29.700 0.131 0.000 0.743 35 E HN 0.479 nan 8.360 nan 0.000 0.453 36 H N -0.450 118.694 119.070 0.123 0.000 2.321 36 H HA -0.180 4.261 4.556 -0.191 0.000 0.300 36 H C 2.206 177.599 175.328 0.109 0.000 1.087 36 H CA 2.149 58.274 56.048 0.129 0.000 1.319 36 H CB -0.021 29.813 29.762 0.120 0.000 1.379 36 H HN 0.211 nan 8.280 nan 0.000 0.501 37 H N -0.240 118.967 119.070 0.228 0.000 2.352 37 H HA -0.100 4.342 4.556 -0.191 0.000 0.299 37 H C 2.219 177.569 175.328 0.037 0.000 1.097 37 H CA 1.768 57.893 56.048 0.128 0.000 1.311 37 H CB -0.390 29.424 29.762 0.087 0.000 1.377 37 H HN 0.473 nan 8.280 nan 0.000 0.504 38 A N -0.087 122.788 122.820 0.092 0.000 1.908 38 A HA -0.161 4.044 4.320 -0.192 0.000 0.218 38 A C 2.639 180.175 177.584 -0.080 0.000 1.181 38 A CA 1.870 53.898 52.037 -0.016 0.000 0.627 38 A CB -0.939 18.050 19.000 -0.018 0.000 0.818 38 A HN 0.357 nan 8.150 nan 0.000 0.445 39 V N -0.133 119.744 119.914 -0.062 0.000 2.453 39 V HA -0.161 3.844 4.120 -0.192 0.000 0.247 39 V C 2.601 178.626 176.094 -0.114 0.000 1.048 39 V CA 1.717 63.981 62.300 -0.060 0.000 1.049 39 V CB -0.718 31.115 31.823 0.017 0.000 0.672 39 V HN 0.456 nan 8.190 nan 0.000 0.457 40 R N 0.518 120.917 120.500 -0.168 0.000 2.148 40 R HA -0.057 4.168 4.340 -0.192 0.000 0.223 40 R C 2.135 178.326 176.300 -0.182 0.000 1.088 40 R CA 1.765 57.763 56.100 -0.171 0.000 0.985 40 R CB -0.443 29.766 30.300 -0.151 0.000 0.880 40 R HN 0.728 nan 8.270 nan 0.000 0.451 41 T N -4.021 110.389 114.554 -0.241 0.000 2.975 41 T HA 0.116 4.351 4.350 -0.192 0.000 0.261 41 T C 0.599 175.208 174.700 -0.152 0.000 0.984 41 T CA 0.087 62.044 62.100 -0.239 0.000 0.911 41 T CB 0.618 69.229 68.868 -0.430 0.000 1.127 41 T HN 0.023 nan 8.240 nan 0.000 0.514 42 D N 1.397 121.719 120.400 -0.130 0.000 2.425 42 D HA 0.583 5.108 4.640 -0.192 0.000 0.104 42 D C -1.221 175.021 176.300 -0.097 0.000 1.395 42 D CA 0.612 54.553 54.000 -0.098 0.000 1.447 42 D CB 0.770 41.521 40.800 -0.081 0.000 2.239 42 D HN 0.452 nan 8.370 nan 0.000 0.193 43 A N -0.207 122.553 122.820 -0.100 0.000 2.517 43 A HA 0.721 4.926 4.320 -0.192 0.000 0.297 43 A C -0.343 177.162 177.584 -0.132 0.000 1.050 43 A CA -0.002 51.971 52.037 -0.108 0.000 0.694 43 A CB 1.678 20.605 19.000 -0.121 0.000 1.277 43 A HN 0.506 nan 8.150 nan 0.000 0.400 44 G N 0.613 109.335 108.800 -0.130 0.000 2.605 44 G HA2 0.817 4.662 3.960 -0.192 0.000 0.296 44 G HA3 0.817 4.662 3.960 -0.192 0.000 0.296 44 G C -0.644 174.086 174.900 -0.283 0.000 1.304 44 G CA -0.322 44.636 45.100 -0.237 0.000 0.941 44 G HN 1.592 nan 8.290 nan 0.000 0.475 45 M N -0.637 118.666 119.600 -0.494 0.000 2.575 45 M HA 0.849 5.214 4.480 -0.192 0.000 0.284 45 M C -2.130 173.941 176.300 -0.381 0.000 1.253 45 M CA -0.828 54.282 55.300 -0.317 0.000 0.861 45 M CB 2.556 34.952 32.600 -0.340 0.000 1.733 45 M HN 0.307 nan 8.290 nan 0.000 0.462 46 F N 0.082 120.215 119.950 0.304 0.000 2.578 46 F HA 0.418 4.859 4.527 -0.144 0.000 0.311 46 F C -0.574 175.536 175.800 0.517 0.000 1.094 46 F CA -0.535 57.712 58.000 0.411 0.000 0.923 46 F CB 1.682 40.841 39.000 0.264 0.000 1.230 46 F HN 0.651 nan 8.300 nan 0.000 0.450 47 D N 2.061 122.841 120.400 0.634 0.000 2.336 47 D HA 0.264 4.789 4.640 -0.192 0.000 0.249 47 D C 0.214 176.731 176.300 0.362 0.000 1.213 47 D CA -0.016 54.244 54.000 0.433 0.000 0.870 47 D CB 1.244 42.194 40.800 0.252 0.000 1.076 47 D HN 0.356 nan 8.370 nan 0.000 0.483 48 V N 1.497 121.620 119.914 0.349 0.000 2.982 48 V HA 0.214 4.219 4.120 -0.192 0.000 0.368 48 V C 1.170 177.378 176.094 0.189 0.000 1.350 48 V CA -0.350 62.129 62.300 0.298 0.000 1.251 48 V CB -0.119 31.809 31.823 0.175 0.000 1.284 48 V HN 0.329 nan 8.190 nan 0.000 0.533 49 S N 1.716 117.536 115.700 0.200 0.000 2.515 49 S HA -0.098 4.257 4.470 -0.192 0.000 0.231 49 S C 1.714 176.263 174.600 -0.085 0.000 0.987 49 S CA 1.327 59.568 58.200 0.068 0.000 0.936 49 S CB -0.534 62.712 63.200 0.077 0.000 0.766 49 S HN 1.013 nan 8.310 nan 0.000 0.528 50 H N 0.580 119.374 119.070 -0.460 0.000 2.551 50 H HA 0.247 4.692 4.556 -0.185 0.000 0.266 50 H C 0.492 175.589 175.328 -0.384 0.000 0.977 50 H CA -0.073 55.449 56.048 -0.877 0.000 1.163 50 H CB -0.602 28.229 29.762 -1.551 0.000 1.381 50 H HN 0.310 nan 8.280 nan 0.000 0.581 51 M N 1.755 121.026 119.600 -0.549 0.000 2.240 51 M HA 0.158 4.523 4.480 -0.192 0.000 0.333 51 M C -0.102 176.115 176.300 -0.138 0.000 1.110 51 M CA 0.326 55.429 55.300 -0.328 0.000 1.173 51 M CB 0.705 33.162 32.600 -0.239 0.000 1.458 51 M HN -0.033 nan 8.290 nan 0.000 0.458 52 T N 3.129 117.636 114.554 -0.079 0.000 2.794 52 T HA 0.635 4.870 4.350 -0.192 0.000 0.280 52 T C -0.025 174.676 174.700 0.001 0.000 0.987 52 T CA -0.489 61.604 62.100 -0.012 0.000 0.993 52 T CB 1.010 69.889 68.868 0.018 0.000 0.939 52 T HN 0.429 nan 8.240 nan 0.000 0.449 53 I N 3.141 123.719 120.570 0.013 0.000 2.336 53 I HA 0.435 4.490 4.170 -0.192 0.000 0.292 53 I C -0.537 175.602 176.117 0.038 0.000 0.991 53 I CA -0.760 60.550 61.300 0.016 0.000 1.227 53 I CB 1.488 39.477 38.000 -0.018 0.000 1.366 53 I HN 0.256 nan 8.210 nan 0.000 0.466 54 V N 5.330 125.281 119.914 0.063 0.000 2.444 54 V HA 0.339 4.344 4.120 -0.192 0.000 0.294 54 V C -0.667 175.510 176.094 0.139 0.000 1.022 54 V CA -0.796 61.558 62.300 0.091 0.000 0.850 54 V CB 1.668 33.548 31.823 0.095 0.000 0.992 54 V HN 0.559 nan 8.190 nan 0.000 0.426 55 D N 4.561 125.062 120.400 0.170 0.000 2.177 55 D HA 0.646 5.171 4.640 -0.192 0.000 0.247 55 D C -0.493 175.973 176.300 0.277 0.000 1.063 55 D CA -0.028 54.154 54.000 0.303 0.000 0.867 55 D CB 2.099 43.099 40.800 0.334 0.000 1.168 55 D HN 0.328 nan 8.370 nan 0.000 0.445 56 L N 2.365 123.817 121.223 0.382 0.000 2.381 56 L HA 0.564 4.789 4.340 -0.192 0.000 0.274 56 L C 0.115 177.212 176.870 0.379 0.000 0.988 56 L CA -0.704 54.317 54.840 0.302 0.000 0.824 56 L CB 1.889 44.121 42.059 0.288 0.000 1.263 56 L HN 0.086 nan 8.230 nan 0.000 0.410 57 R N 1.573 122.211 120.500 0.230 0.000 2.771 57 R HA 0.876 5.100 4.340 -0.192 0.000 0.274 57 R C -0.688 175.697 176.300 0.142 0.000 0.987 57 R CA -0.945 55.279 56.100 0.206 0.000 0.908 57 R CB 2.583 32.913 30.300 0.049 0.000 1.213 57 R HN 0.824 nan 8.270 nan 0.000 0.468 58 G N -0.238 108.654 108.800 0.155 0.000 2.335 58 G HA2 -0.112 3.733 3.960 -0.192 0.000 0.592 58 G HA3 -0.112 3.733 3.960 -0.192 0.000 0.592 58 G C 0.236 175.226 174.900 0.150 0.000 1.442 58 G CA -0.237 44.934 45.100 0.118 0.000 0.976 58 G HN 0.565 nan 8.290 nan 0.000 0.652 59 S N -0.488 115.286 115.700 0.123 0.000 2.447 59 S HA -0.052 4.303 4.470 -0.192 0.000 0.233 59 S C 1.594 176.281 174.600 0.146 0.000 1.006 59 S CA 1.356 59.636 58.200 0.133 0.000 0.957 59 S CB -0.041 63.220 63.200 0.101 0.000 0.773 59 S HN 0.679 nan 8.310 nan 0.000 0.507 60 R N 0.750 121.338 120.500 0.147 0.000 2.466 60 R HA 0.259 4.484 4.340 -0.192 0.000 0.279 60 R C 1.180 177.556 176.300 0.126 0.000 0.976 60 R CA 0.375 56.576 56.100 0.169 0.000 1.081 60 R CB -0.227 30.227 30.300 0.258 0.000 1.215 60 R HN 0.354 nan 8.270 nan 0.000 0.546 61 T N 1.170 115.799 114.554 0.126 0.000 2.652 61 T HA -0.224 4.011 4.350 -0.192 0.000 0.267 61 T C 1.783 176.361 174.700 -0.203 0.000 1.039 61 T CA 1.354 63.491 62.100 0.062 0.000 1.153 61 T CB -0.074 68.915 68.868 0.202 0.000 0.863 61 T HN 0.317 nan 8.240 nan 0.000 0.428 62 R N 0.859 121.252 120.500 -0.177 0.000 2.083 62 R HA -0.133 4.092 4.340 -0.192 0.000 0.237 62 R C 2.535 178.697 176.300 -0.230 0.000 1.137 62 R CA 1.871 57.773 56.100 -0.329 0.000 0.951 62 R CB -0.229 30.104 30.300 0.054 0.000 0.851 62 R HN 0.538 nan 8.270 nan 0.000 0.434 63 E N -0.481 119.670 120.200 -0.082 0.000 2.085 63 E HA -0.243 3.992 4.350 -0.192 0.000 0.194 63 E C 1.766 178.238 176.600 -0.213 0.000 0.994 63 E CA 1.425 57.794 56.400 -0.052 0.000 0.801 63 E CB -0.250 29.507 29.700 0.094 0.000 0.743 63 E HN 0.370 nan 8.360 nan 0.000 0.453 64 F N 1.380 120.977 119.950 -0.588 0.000 2.102 64 F HA -0.157 4.257 4.527 -0.189 0.000 0.298 64 F C 1.864 177.355 175.800 -0.516 0.000 1.105 64 F CA 1.425 58.812 58.000 -1.022 0.000 1.239 64 F CB -0.465 38.011 39.000 -0.872 0.000 0.991 64 F HN 0.000 nan 8.300 nan 0.000 0.474 65 L N 0.139 120.929 121.223 -0.721 0.000 2.141 65 L HA -0.145 4.080 4.340 -0.192 0.000 0.209 65 L C 2.607 179.164 176.870 -0.521 0.000 1.094 65 L CA 1.132 55.502 54.840 -0.784 0.000 0.763 65 L CB -0.599 41.041 42.059 -0.698 0.000 0.908 65 L HN 0.066 nan 8.230 nan 0.000 0.437 66 R N -1.197 119.089 120.500 -0.356 0.000 2.193 66 R HA -0.207 4.018 4.340 -0.192 0.000 0.229 66 R C 2.040 178.297 176.300 -0.071 0.000 1.110 66 R CA 1.374 57.356 56.100 -0.196 0.000 0.988 66 R CB -0.271 29.965 30.300 -0.106 0.000 0.871 66 R HN 0.344 nan 8.270 nan 0.000 0.458 67 Y N 0.399 120.556 120.300 -0.239 0.000 2.436 67 Y HA 0.031 4.469 4.550 -0.188 0.000 0.288 67 Y C 1.832 177.639 175.900 -0.155 0.000 1.112 67 Y CA 0.309 58.346 58.100 -0.104 0.000 1.220 67 Y CB 0.007 38.451 38.460 -0.028 0.000 1.073 67 Y HN -0.080 nan 8.280 nan 0.000 0.552 68 L N 0.144 121.070 121.223 -0.495 0.000 2.156 68 L HA 0.118 4.343 4.340 -0.192 0.000 0.208 68 L C 0.015 176.638 176.870 -0.411 0.000 1.095 68 L CA 1.257 55.754 54.840 -0.572 0.000 0.770 68 L CB -0.158 41.371 42.059 -0.883 0.000 0.914 68 L HN 0.086 nan 8.230 nan 0.000 0.439 69 L N -1.773 119.188 121.223 -0.438 0.000 2.330 69 L HA 0.483 4.708 4.340 -0.192 0.000 0.271 69 L C 1.031 177.475 176.870 -0.710 0.000 1.013 69 L CA -0.078 54.475 54.840 -0.479 0.000 0.816 69 L CB 1.588 43.368 42.059 -0.465 0.000 1.287 69 L HN -0.096 nan 8.230 nan 0.000 0.435 70 A N 1.029 123.337 122.820 -0.854 0.000 2.044 70 A HA 0.042 4.247 4.320 -0.192 0.000 0.213 70 A C 0.955 177.827 177.584 -1.187 0.000 1.169 70 A CA 0.325 51.456 52.037 -1.509 0.000 0.724 70 A CB -0.179 18.235 19.000 -0.976 0.000 0.840 70 A HN 0.730 nan 8.150 nan 0.000 0.463 71 N N 0.794 119.029 118.700 -0.774 0.000 2.354 71 N HA 0.121 4.746 4.740 -0.192 0.000 0.246 71 N C -1.382 173.825 175.510 -0.504 0.000 1.285 71 N CA -0.022 52.671 53.050 -0.594 0.000 0.925 71 N CB 0.604 38.798 38.487 -0.489 0.000 1.174 71 N HN 0.151 nan 8.380 nan 0.000 0.478 72 D N 0.562 120.746 120.400 -0.361 0.000 2.414 72 D HA 0.134 4.659 4.640 -0.192 0.000 0.232 72 D C 1.110 177.286 176.300 -0.205 0.000 1.070 72 D CA -0.574 53.268 54.000 -0.263 0.000 0.839 72 D CB 0.880 41.568 40.800 -0.187 0.000 1.079 72 D HN 0.283 nan 8.370 nan 0.000 0.521 73 V N 2.504 122.299 119.914 -0.198 0.000 3.078 73 V HA -0.015 3.990 4.120 -0.192 0.000 0.265 73 V C 1.937 177.983 176.094 -0.080 0.000 1.122 73 V CA 1.430 63.662 62.300 -0.113 0.000 1.141 73 V CB -0.918 30.851 31.823 -0.089 0.000 0.735 73 V HN 0.484 nan 8.190 nan 0.000 0.498 74 A N 0.753 123.512 122.820 -0.102 0.000 2.070 74 A HA -0.143 4.062 4.320 -0.192 0.000 0.220 74 A C 2.209 179.725 177.584 -0.113 0.000 1.159 74 A CA 1.765 53.748 52.037 -0.091 0.000 0.656 74 A CB -0.551 18.411 19.000 -0.065 0.000 0.800 74 A HN 0.638 nan 8.150 nan 0.000 0.453 75 K N -0.451 119.881 120.400 -0.114 0.000 2.442 75 K HA 0.051 4.256 4.320 -0.192 0.000 0.198 75 K C -0.320 176.202 176.600 -0.131 0.000 1.042 75 K CA 0.294 56.517 56.287 -0.108 0.000 0.958 75 K CB -0.270 32.168 32.500 -0.104 0.000 0.766 75 K HN 0.451 nan 8.250 nan 0.000 0.474 76 L N 2.154 123.270 121.223 -0.178 0.000 2.302 76 L HA 0.093 4.318 4.340 -0.192 0.000 0.285 76 L C 1.087 177.682 176.870 -0.458 0.000 1.090 76 L CA -0.295 54.406 54.840 -0.232 0.000 0.866 76 L CB 0.554 42.512 42.059 -0.168 0.000 1.244 76 L HN 0.117 nan 8.230 nan 0.000 0.435 77 T N -1.786 112.633 114.554 -0.226 0.000 2.985 77 T HA 0.098 4.333 4.350 -0.192 0.000 0.254 77 T C 0.508 175.232 174.700 0.041 0.000 1.021 77 T CA -0.256 61.732 62.100 -0.186 0.000 0.957 77 T CB 0.362 69.187 68.868 -0.073 0.000 1.047 77 T HN 0.312 nan 8.240 nan 0.000 0.511 78 K N 1.766 122.273 120.400 0.179 0.000 2.244 78 K HA 0.528 4.733 4.320 -0.192 0.000 0.260 78 K C -0.292 176.613 176.600 0.508 0.000 0.951 78 K CA -0.511 55.986 56.287 0.349 0.000 0.826 78 K CB 1.613 34.345 32.500 0.387 0.000 1.108 78 K HN 0.045 nan 8.250 nan 0.000 0.433 79 S N 2.423 118.367 115.700 0.407 0.000 2.626 79 S HA 0.169 4.524 4.470 -0.192 0.000 0.303 79 S C 1.066 175.869 174.600 0.338 0.000 1.256 79 S CA 1.697 60.025 58.200 0.214 0.000 1.069 79 S CB -0.317 62.949 63.200 0.111 0.000 0.807 79 S HN 0.943 nan 8.310 nan 0.000 0.500 80 G N 3.402 112.379 108.800 0.294 0.000 2.199 80 G HA2 -0.261 3.584 3.960 -0.192 0.000 0.254 80 G HA3 -0.261 3.584 3.960 -0.192 0.000 0.254 80 G C 0.099 175.211 174.900 0.355 0.000 0.982 80 G CA 0.452 45.824 45.100 0.453 0.000 0.632 80 G HN 0.813 nan 8.290 nan 0.000 0.529 81 K N 1.415 121.891 120.400 0.127 0.000 2.448 81 K HA 0.612 4.817 4.320 -0.192 0.000 0.278 81 K C 0.542 177.045 176.600 -0.162 0.000 1.009 81 K CA 0.915 56.975 56.287 -0.378 0.000 0.995 81 K CB 0.493 32.804 32.500 -0.314 0.000 0.917 81 K HN 0.980 nan 8.250 nan 0.000 0.481 82 A N 3.623 126.314 122.820 -0.214 0.000 2.354 82 A HA 0.782 4.987 4.320 -0.192 0.000 0.321 82 A C -1.410 176.166 177.584 -0.013 0.000 1.125 82 A CA -0.793 51.121 52.037 -0.205 0.000 0.799 82 A CB 0.654 19.370 19.000 -0.474 0.000 1.293 82 A HN 0.650 nan 8.150 nan 0.000 0.452 83 L N -1.863 119.329 121.223 -0.051 0.000 2.341 83 L HA 0.783 5.008 4.340 -0.192 0.000 0.254 83 L C -0.820 176.071 176.870 0.035 0.000 1.040 83 L CA -0.952 53.858 54.840 -0.050 0.000 0.837 83 L CB 0.964 42.923 42.059 -0.166 0.000 1.425 83 L HN 0.644 nan 8.230 nan 0.000 0.414 84 Y N 0.294 120.484 120.300 -0.182 0.000 2.323 84 Y HA 0.781 5.236 4.550 -0.159 0.000 0.331 84 Y C -0.087 175.619 175.900 -0.323 0.000 1.092 84 Y CA -0.106 57.893 58.100 -0.168 0.000 1.150 84 Y CB 1.557 39.933 38.460 -0.140 0.000 1.200 84 Y HN 0.964 nan 8.280 nan 0.000 0.472 85 S N 3.352 118.681 115.700 -0.619 0.000 2.550 85 S HA 0.720 5.075 4.470 -0.192 0.000 0.270 85 S C -0.618 173.557 174.600 -0.708 0.000 1.145 85 S CA -0.255 57.539 58.200 -0.676 0.000 0.852 85 S CB 0.884 63.792 63.200 -0.486 0.000 1.119 85 S HN 1.203 nan 8.310 nan 0.000 0.465 86 G N 1.701 110.114 108.800 -0.645 0.000 2.507 86 G HA2 0.548 4.393 3.960 -0.192 0.000 0.271 86 G HA3 0.548 4.393 3.960 -0.192 0.000 0.271 86 G C -0.677 173.981 174.900 -0.403 0.000 1.189 86 G CA -0.496 44.320 45.100 -0.473 0.000 0.859 86 G HN 0.743 nan 8.290 nan 0.000 0.542 87 M N 1.774 121.179 119.600 -0.326 0.000 2.093 87 M HA 0.513 4.878 4.480 -0.192 0.000 0.297 87 M C -1.273 174.851 176.300 -0.294 0.000 0.938 87 M CA -0.567 54.557 55.300 -0.293 0.000 0.920 87 M CB 0.985 33.429 32.600 -0.260 0.000 1.517 87 M HN 0.305 nan 8.290 nan 0.000 0.427 88 L N 3.339 124.422 121.223 -0.234 0.000 2.334 88 L HA 0.587 4.812 4.340 -0.192 0.000 0.270 88 L C 0.089 176.805 176.870 -0.258 0.000 1.018 88 L CA -1.190 53.526 54.840 -0.207 0.000 0.811 88 L CB 1.441 43.443 42.059 -0.094 0.000 1.271 88 L HN 0.733 nan 8.230 nan 0.000 0.443 89 N N 0.697 119.227 118.700 -0.283 0.000 2.366 89 N HA 0.229 4.854 4.740 -0.192 0.000 0.277 89 N C 0.646 176.150 175.510 -0.010 0.000 1.275 89 N CA -0.048 52.870 53.050 -0.220 0.000 0.964 89 N CB 0.428 38.757 38.487 -0.263 0.000 1.167 89 N HN 0.645 nan 8.380 nan 0.000 0.568 90 A N -0.737 122.138 122.820 0.093 0.000 2.019 90 A HA -0.077 4.128 4.320 -0.192 0.000 0.219 90 A C 1.645 179.252 177.584 0.038 0.000 1.164 90 A CA 1.267 53.356 52.037 0.087 0.000 0.644 90 A CB -0.980 18.103 19.000 0.138 0.000 0.805 90 A HN 0.644 nan 8.150 nan 0.000 0.449 91 S N -1.349 114.366 115.700 0.024 0.000 2.631 91 S HA 0.353 4.708 4.470 -0.192 0.000 0.217 91 S C 1.379 175.983 174.600 0.007 0.000 0.958 91 S CA 0.687 58.897 58.200 0.017 0.000 0.920 91 S CB -0.067 63.144 63.200 0.018 0.000 0.776 91 S HN 1.556 nan 8.310 nan 0.000 0.517 92 G N 1.280 110.075 108.800 -0.007 0.000 2.148 92 G HA2 -0.188 3.657 3.960 -0.192 0.000 0.254 92 G HA3 -0.188 3.657 3.960 -0.192 0.000 0.254 92 G C 0.306 175.196 174.900 -0.018 0.000 0.981 92 G CA -0.171 44.925 45.100 -0.005 0.000 0.670 92 G HN 0.803 nan 8.290 nan 0.000 0.528 93 G N -1.213 107.566 108.800 -0.036 0.000 2.537 93 G HA2 0.604 4.449 3.960 -0.192 0.000 0.273 93 G HA3 0.604 4.449 3.960 -0.192 0.000 0.273 93 G C 0.076 174.936 174.900 -0.067 0.000 1.189 93 G CA 0.007 45.084 45.100 -0.039 0.000 0.881 93 G HN 0.904 nan 8.290 nan 0.000 0.535 94 V N 1.835 121.732 119.914 -0.029 0.000 2.385 94 V HA 0.141 4.146 4.120 -0.192 0.000 0.269 94 V C 1.123 177.249 176.094 0.054 0.000 1.043 94 V CA -0.144 62.153 62.300 -0.005 0.000 0.906 94 V CB 0.954 32.822 31.823 0.076 0.000 0.995 94 V HN 0.680 nan 8.190 nan 0.000 0.467 95 I N 2.118 122.588 120.570 -0.166 0.000 2.339 95 I HA 0.096 4.151 4.170 -0.192 0.000 0.245 95 I C 0.725 176.563 176.117 -0.464 0.000 1.096 95 I CA 1.218 62.337 61.300 -0.303 0.000 1.408 95 I CB 0.279 37.910 38.000 -0.615 0.000 1.092 95 I HN 0.621 nan 8.210 nan 0.000 0.423 96 D N -0.353 119.801 120.400 -0.409 0.000 2.622 96 D HA 0.187 4.712 4.640 -0.192 0.000 0.255 96 D C -1.714 174.431 176.300 -0.259 0.000 1.246 96 D CA -0.598 53.095 54.000 -0.511 0.000 0.795 96 D CB 1.285 41.801 40.800 -0.473 0.000 1.369 96 D HN -0.020 nan 8.370 nan 0.000 0.425 97 N N 1.095 119.698 118.700 -0.161 0.000 2.400 97 N HA 0.579 5.204 4.740 -0.192 0.000 0.288 97 N C -0.736 174.699 175.510 -0.126 0.000 1.024 97 N CA -0.506 52.427 53.050 -0.196 0.000 0.894 97 N CB 1.406 39.879 38.487 -0.024 0.000 1.173 97 N HN 0.366 nan 8.380 nan 0.000 0.487 98 L N -1.142 119.966 121.223 -0.192 0.000 2.403 98 L HA 0.742 4.967 4.340 -0.192 0.000 0.253 98 L C -0.654 176.215 176.870 -0.002 0.000 1.045 98 L CA -1.303 53.495 54.840 -0.070 0.000 0.845 98 L CB 0.690 42.681 42.059 -0.114 0.000 1.447 98 L HN 0.575 nan 8.230 nan 0.000 0.411 99 I N 0.535 121.118 120.570 0.020 0.000 2.648 99 I HA 0.850 4.905 4.170 -0.192 0.000 0.304 99 I C -1.206 174.837 176.117 -0.123 0.000 1.009 99 I CA -0.965 60.326 61.300 -0.014 0.000 1.114 99 I CB 1.966 39.944 38.000 -0.037 0.000 1.293 99 I HN 0.706 nan 8.210 nan 0.000 0.449 100 V N 6.967 126.751 119.914 -0.216 0.000 2.760 100 V HA 0.551 4.556 4.120 -0.192 0.000 0.309 100 V C -1.857 174.050 176.094 -0.313 0.000 1.077 100 V CA -0.277 61.925 62.300 -0.163 0.000 0.910 100 V CB 1.898 33.669 31.823 -0.087 0.000 1.008 100 V HN 0.707 nan 8.190 nan 0.000 0.424 101 Y N 5.406 125.618 120.300 -0.147 0.000 2.377 101 Y HA 0.561 4.997 4.550 -0.189 0.000 0.339 101 Y C -0.518 175.008 175.900 -0.623 0.000 1.011 101 Y CA -0.530 57.351 58.100 -0.365 0.000 1.093 101 Y CB 1.792 39.904 38.460 -0.581 0.000 1.201 101 Y HN 0.757 nan 8.280 nan 0.000 0.455 102 Y N 3.416 123.367 120.300 -0.581 0.000 2.341 102 Y HA 0.389 4.822 4.550 -0.195 0.000 0.340 102 Y C -0.856 174.550 175.900 -0.823 0.000 0.997 102 Y CA -1.240 56.275 58.100 -0.975 0.000 1.149 102 Y CB 0.335 38.460 38.460 -0.558 0.000 1.171 102 Y HN 0.577 nan 8.280 nan 0.000 0.494 103 F N 1.488 120.764 119.950 -1.124 0.000 2.479 103 F HA 0.235 4.647 4.527 -0.192 0.000 0.280 103 F C 1.151 176.332 175.800 -1.031 0.000 0.982 103 F CA 0.785 58.246 58.000 -0.899 0.000 1.276 103 F CB -0.498 38.048 39.000 -0.756 0.000 1.137 103 F HN 0.473 nan 8.300 nan 0.000 0.660 104 T N -3.291 110.883 114.554 -0.633 0.000 2.804 104 T HA 0.297 4.532 4.350 -0.192 0.000 0.290 104 T C 0.763 175.390 174.700 -0.122 0.000 1.099 104 T CA -0.563 61.316 62.100 -0.369 0.000 1.011 104 T CB 2.002 70.871 68.868 0.001 0.000 1.291 104 T HN -0.106 nan 8.240 nan 0.000 0.523 105 E N 0.507 120.823 120.200 0.193 0.000 2.171 105 E HA -0.136 4.099 4.350 -0.192 0.000 0.197 105 E C 0.451 177.291 176.600 0.400 0.000 0.997 105 E CA 1.503 58.121 56.400 0.363 0.000 0.810 105 E CB -0.158 29.704 29.700 0.270 0.000 0.738 105 E HN 0.610 nan 8.360 nan 0.000 0.467 106 D N -1.398 119.184 120.400 0.304 0.000 2.462 106 D HA 0.076 4.601 4.640 -0.192 0.000 0.221 106 D C -0.717 175.844 176.300 0.435 0.000 1.173 106 D CA -0.128 54.075 54.000 0.339 0.000 0.831 106 D CB 0.137 41.070 40.800 0.221 0.000 1.001 106 D HN -0.045 nan 8.370 nan 0.000 0.499 107 F N 1.274 121.353 119.950 0.215 0.000 2.730 107 F HA 0.447 4.861 4.527 -0.188 0.000 0.335 107 F C -1.980 173.859 175.800 0.066 0.000 1.212 107 F CA -1.498 56.625 58.000 0.204 0.000 1.016 107 F CB 0.385 39.477 39.000 0.152 0.000 1.290 107 F HN -0.344 nan 8.300 nan 0.000 0.495 108 F N 4.443 124.413 119.950 0.034 0.000 2.611 108 F HA 0.723 5.132 4.527 -0.197 0.000 0.324 108 F C -0.313 175.361 175.800 -0.210 0.000 1.061 108 F CA -0.947 56.891 58.000 -0.271 0.000 0.954 108 F CB 2.054 41.011 39.000 -0.071 0.000 1.301 108 F HN 0.464 nan 8.300 nan 0.000 0.482 109 R N 1.762 122.213 120.500 -0.083 0.000 2.673 109 R HA 0.760 4.985 4.340 -0.192 0.000 0.281 109 R C -2.271 174.114 176.300 0.141 0.000 0.991 109 R CA -0.547 55.596 56.100 0.072 0.000 0.896 109 R CB 1.590 31.907 30.300 0.028 0.000 1.201 109 R HN 0.754 nan 8.270 nan 0.000 0.457 110 L N 3.495 124.794 121.223 0.127 0.000 2.334 110 L HA 0.653 4.878 4.340 -0.192 0.000 0.273 110 L C -0.735 176.193 176.870 0.097 0.000 1.013 110 L CA -1.372 53.521 54.840 0.088 0.000 0.816 110 L CB 2.194 44.282 42.059 0.050 0.000 1.278 110 L HN 0.332 nan 8.230 nan 0.000 0.431 111 V N 2.685 122.650 119.914 0.084 0.000 2.487 111 V HA 0.544 4.549 4.120 -0.192 0.000 0.298 111 V C -0.119 175.974 176.094 -0.002 0.000 1.028 111 V CA -0.654 61.683 62.300 0.061 0.000 0.860 111 V CB 2.041 33.938 31.823 0.123 0.000 0.991 111 V HN 0.553 nan 8.190 nan 0.000 0.427 112 V N 1.769 121.664 119.914 -0.032 0.000 2.960 112 V HA 0.718 4.723 4.120 -0.192 0.000 0.315 112 V C -0.171 175.855 176.094 -0.113 0.000 1.087 112 V CA -1.026 61.230 62.300 -0.073 0.000 0.982 112 V CB 2.127 33.910 31.823 -0.067 0.000 1.039 112 V HN 0.711 nan 8.190 nan 0.000 0.437 113 N N 1.296 119.910 118.700 -0.142 0.000 2.399 113 N HA 0.174 4.799 4.740 -0.192 0.000 0.250 113 N C 1.266 176.679 175.510 -0.162 0.000 1.272 113 N CA 0.414 53.359 53.050 -0.176 0.000 0.928 113 N CB 1.419 39.821 38.487 -0.141 0.000 1.158 113 N HN 0.870 nan 8.380 nan 0.000 0.463 114 S N 0.652 116.234 115.700 -0.196 0.000 2.355 114 S HA -0.110 4.245 4.470 -0.192 0.000 0.222 114 S C 1.780 176.355 174.600 -0.042 0.000 1.031 114 S CA 1.387 59.536 58.200 -0.085 0.000 0.993 114 S CB -0.270 62.937 63.200 0.011 0.000 0.859 114 S HN 0.661 nan 8.310 nan 0.000 0.453 115 A N 0.306 122.997 122.820 -0.215 0.000 2.015 115 A HA -0.019 4.186 4.320 -0.192 0.000 0.219 115 A C 2.048 179.536 177.584 -0.160 0.000 1.163 115 A CA 1.913 53.719 52.037 -0.384 0.000 0.646 115 A CB -0.807 17.698 19.000 -0.825 0.000 0.806 115 A HN 0.712 nan 8.150 nan 0.000 0.448 116 T N -3.343 111.122 114.554 -0.147 0.000 3.134 116 T HA 0.187 4.422 4.350 -0.192 0.000 0.260 116 T C 1.458 176.104 174.700 -0.089 0.000 1.027 116 T CA 0.264 62.268 62.100 -0.160 0.000 0.913 116 T CB 0.033 68.698 68.868 -0.338 0.000 1.046 116 T HN 0.524 nan 8.240 nan 0.000 0.553 117 R N 1.743 122.223 120.500 -0.033 0.000 2.094 117 R HA -0.167 4.058 4.340 -0.192 0.000 0.239 117 R C 1.871 178.189 176.300 0.029 0.000 1.137 117 R CA 1.861 57.968 56.100 0.011 0.000 0.943 117 R CB -0.153 30.190 30.300 0.071 0.000 0.850 117 R HN 0.257 nan 8.270 nan 0.000 0.433 118 E N 0.568 120.792 120.200 0.039 0.000 2.076 118 E HA -0.151 4.084 4.350 -0.192 0.000 0.190 118 E C 1.859 178.494 176.600 0.059 0.000 0.979 118 E CA 0.919 57.351 56.400 0.053 0.000 0.807 118 E CB -0.201 29.531 29.700 0.053 0.000 0.761 118 E HN 0.396 nan 8.360 nan 0.000 0.454 119 K N 0.958 121.382 120.400 0.039 0.000 2.063 119 K HA -0.193 4.012 4.320 -0.192 0.000 0.208 119 K C 1.432 178.081 176.600 0.082 0.000 1.048 119 K CA 1.809 58.126 56.287 0.050 0.000 0.928 119 K CB 0.070 32.567 32.500 -0.005 0.000 0.713 119 K HN -0.094 nan 8.250 nan 0.000 0.442 120 D N 0.753 121.171 120.400 0.030 0.000 2.097 120 D HA -0.119 4.406 4.640 -0.192 0.000 0.197 120 D C 2.007 178.397 176.300 0.150 0.000 0.984 120 D CA 0.952 54.990 54.000 0.064 0.000 0.826 120 D CB -0.168 40.622 40.800 -0.016 0.000 0.973 120 D HN 0.204 nan 8.370 nan 0.000 0.460 121 L N 0.605 121.892 121.223 0.107 0.000 2.012 121 L HA -0.187 4.038 4.340 -0.192 0.000 0.210 121 L C 2.448 179.401 176.870 0.138 0.000 1.073 121 L CA 1.082 55.990 54.840 0.113 0.000 0.748 121 L CB -0.460 41.648 42.059 0.082 0.000 0.891 121 L HN -0.026 nan 8.230 nan 0.000 0.431 122 S N -1.091 114.696 115.700 0.145 0.000 2.368 122 S HA -0.219 4.136 4.470 -0.192 0.000 0.225 122 S C 1.583 176.315 174.600 0.220 0.000 1.030 122 S CA 1.250 59.540 58.200 0.149 0.000 0.999 122 S CB -0.426 62.862 63.200 0.146 0.000 0.844 122 S HN 0.541 nan 8.310 nan 0.000 0.459 123 W N 1.995 123.357 121.300 0.103 0.000 2.381 123 W HA -0.078 4.469 4.660 -0.188 0.000 0.301 123 W C 1.674 178.371 176.519 0.295 0.000 1.205 123 W CA 0.936 58.401 57.345 0.200 0.000 1.285 123 W CB -0.332 29.193 29.460 0.108 0.000 1.133 123 W HN 0.265 nan 8.180 nan 0.000 0.521 124 I N 1.128 121.901 120.570 0.339 0.000 2.163 124 I HA -0.344 3.711 4.170 -0.192 0.000 0.240 124 I C 2.694 178.909 176.117 0.164 0.000 1.081 124 I CA 2.231 63.711 61.300 0.299 0.000 1.353 124 I CB -0.912 37.252 38.000 0.273 0.000 1.054 124 I HN -0.071 nan 8.210 nan 0.000 0.407 125 T N -1.454 113.153 114.554 0.087 0.000 2.867 125 T HA -0.263 3.972 4.350 -0.192 0.000 0.268 125 T C 1.793 176.455 174.700 -0.064 0.000 1.057 125 T CA 1.339 63.439 62.100 -0.000 0.000 1.136 125 T CB -0.488 68.385 68.868 0.007 0.000 0.874 125 T HN 0.438 nan 8.240 nan 0.000 0.466 126 Q N 0.589 120.335 119.800 -0.090 0.000 2.030 126 Q HA -0.246 3.979 4.340 -0.192 0.000 0.204 126 Q C 2.136 177.921 176.000 -0.357 0.000 0.986 126 Q CA 2.018 57.666 55.803 -0.258 0.000 0.843 126 Q CB -0.293 28.216 28.738 -0.381 0.000 0.904 126 Q HN 0.790 nan 8.270 nan 0.000 0.420 127 H N -0.704 118.271 119.070 -0.159 0.000 2.470 127 H HA 0.128 4.570 4.556 -0.190 0.000 0.289 127 H C 1.773 177.153 175.328 0.085 0.000 1.033 127 H CA 1.070 57.121 56.048 0.006 0.000 1.331 127 H CB 0.090 29.842 29.762 -0.017 0.000 1.414 127 H HN 0.441 nan 8.280 nan 0.000 0.545 128 A N 0.644 123.340 122.820 -0.206 0.000 2.014 128 A HA -0.160 4.045 4.320 -0.192 0.000 0.218 128 A C 2.120 179.555 177.584 -0.248 0.000 1.163 128 A CA 1.278 52.843 52.037 -0.788 0.000 0.652 128 A CB -0.286 18.164 19.000 -0.916 0.000 0.808 128 A HN 0.508 nan 8.150 nan 0.000 0.449 129 E N 0.165 120.272 120.200 -0.155 0.000 2.065 129 E HA -0.200 4.035 4.350 -0.192 0.000 0.201 129 E C -0.712 175.814 176.600 -0.122 0.000 1.016 129 E CA 1.831 58.157 56.400 -0.124 0.000 0.818 129 E CB -0.597 29.032 29.700 -0.117 0.000 0.749 129 E HN 0.491 nan 8.360 nan 0.000 0.453 130 P HA -0.109 nan 4.420 nan 0.000 0.230 130 P C 0.466 177.531 177.300 -0.391 0.000 1.158 130 P CA 1.007 63.931 63.100 -0.293 0.000 0.769 130 P CB -0.160 31.290 31.700 -0.416 0.000 0.807 131 F N -0.300 119.564 119.950 -0.142 0.000 2.797 131 F HA 0.327 4.742 4.527 -0.188 0.000 0.302 131 F C 1.791 177.523 175.800 -0.113 0.000 1.130 131 F CA 0.690 58.620 58.000 -0.117 0.000 1.387 131 F CB -0.806 38.116 39.000 -0.131 0.000 1.107 131 F HN -0.004 nan 8.300 nan 0.000 0.577 132 G N 1.241 110.039 108.800 -0.004 0.000 2.198 132 G HA2 -0.267 3.578 3.960 -0.192 0.000 0.257 132 G HA3 -0.267 3.578 3.960 -0.192 0.000 0.257 132 G C 0.088 174.983 174.900 -0.010 0.000 1.042 132 G CA -0.293 44.798 45.100 -0.016 0.000 0.791 132 G HN 0.125 nan 8.290 nan 0.000 0.502 133 I N 0.532 121.073 120.570 -0.049 0.000 2.474 133 I HA 0.261 4.316 4.170 -0.192 0.000 0.287 133 I C 0.860 176.959 176.117 -0.030 0.000 1.048 133 I CA -0.917 60.356 61.300 -0.046 0.000 1.383 133 I CB 1.237 39.149 38.000 -0.146 0.000 1.412 133 I HN 0.340 nan 8.210 nan 0.000 0.531 134 E N 6.604 126.808 120.200 0.007 0.000 2.180 134 E HA 0.351 4.586 4.350 -0.192 0.000 0.283 134 E C -1.065 175.550 176.600 0.024 0.000 1.061 134 E CA -0.382 56.020 56.400 0.004 0.000 0.861 134 E CB 0.574 30.275 29.700 0.002 0.000 1.056 134 E HN 0.427 nan 8.360 nan 0.000 0.407 135 I N 4.017 124.597 120.570 0.016 0.000 2.362 135 I HA 0.203 4.258 4.170 -0.192 0.000 0.289 135 I C -0.332 175.809 176.117 0.040 0.000 0.994 135 I CA -0.472 60.852 61.300 0.041 0.000 1.158 135 I CB 2.066 40.083 38.000 0.028 0.000 1.315 135 I HN 0.351 nan 8.210 nan 0.000 0.451 136 T N 5.614 120.202 114.554 0.058 0.000 2.786 136 T HA 0.376 4.611 4.350 -0.192 0.000 0.283 136 T C -0.165 174.566 174.700 0.052 0.000 0.992 136 T CA -0.477 61.648 62.100 0.041 0.000 0.954 136 T CB 1.581 70.465 68.868 0.027 0.000 0.934 136 T HN 0.147 nan 8.240 nan 0.000 0.440 137 V N 5.264 125.205 119.914 0.044 0.000 2.408 137 V HA 0.270 4.275 4.120 -0.192 0.000 0.267 137 V C 0.821 176.939 176.094 0.040 0.000 1.047 137 V CA -0.679 61.650 62.300 0.048 0.000 0.937 137 V CB 0.432 32.285 31.823 0.050 0.000 0.999 137 V HN 0.667 nan 8.190 nan 0.000 0.472 138 R N 3.079 123.600 120.500 0.036 0.000 4.680 138 R HA 0.160 4.385 4.340 -0.192 0.000 0.222 138 R C 0.292 176.612 176.300 0.033 0.000 1.803 138 R CA -0.210 55.905 56.100 0.024 0.000 1.560 138 R CB -0.363 29.940 30.300 0.006 0.000 1.412 138 R HN 0.618 nan 8.270 nan 0.000 0.815 139 D N 0.843 121.271 120.400 0.048 0.000 2.392 139 D HA -0.123 4.402 4.640 -0.192 0.000 0.228 139 D C 1.109 177.445 176.300 0.060 0.000 1.003 139 D CA 0.817 54.858 54.000 0.068 0.000 0.917 139 D CB 0.230 41.082 40.800 0.086 0.000 0.890 139 D HN 0.455 nan 8.370 nan 0.000 0.532 140 D N -0.093 120.330 120.400 0.039 0.000 2.363 140 D HA -0.100 4.425 4.640 -0.192 0.000 0.220 140 D C 0.670 176.987 176.300 0.029 0.000 0.994 140 D CA 0.137 54.156 54.000 0.032 0.000 0.890 140 D CB 0.292 41.102 40.800 0.017 0.000 0.906 140 D HN 0.208 nan 8.370 nan 0.000 0.530 141 L N 0.546 121.785 121.223 0.027 0.000 2.325 141 L HA 0.348 4.572 4.340 -0.192 0.000 0.278 141 L C 0.273 177.166 176.870 0.039 0.000 1.023 141 L CA -0.665 54.187 54.840 0.021 0.000 0.811 141 L CB 2.042 44.101 42.059 -0.000 0.000 1.249 141 L HN -0.177 nan 8.230 nan 0.000 0.431 142 S N 2.205 117.932 115.700 0.046 0.000 2.747 142 S HA 0.780 5.135 4.470 -0.192 0.000 0.300 142 S C -0.664 173.982 174.600 0.077 0.000 1.121 142 S CA -0.635 57.606 58.200 0.068 0.000 0.995 142 S CB 1.954 65.204 63.200 0.083 0.000 1.113 142 S HN 0.582 nan 8.310 nan 0.000 0.547 143 M N 1.722 121.392 119.600 0.116 0.000 2.414 143 M HA 0.538 4.903 4.480 -0.192 0.000 0.287 143 M C -2.361 174.076 176.300 0.229 0.000 1.181 143 M CA -0.277 55.109 55.300 0.144 0.000 0.933 143 M CB 1.296 33.968 32.600 0.118 0.000 1.732 143 M HN 0.594 nan 8.290 nan 0.000 0.486 144 I N 2.984 123.714 120.570 0.268 0.000 2.498 144 I HA 0.646 4.701 4.170 -0.192 0.000 0.290 144 I C -0.420 175.903 176.117 0.343 0.000 1.032 144 I CA -0.800 60.730 61.300 0.383 0.000 1.073 144 I CB 2.163 40.448 38.000 0.474 0.000 1.251 144 I HN 0.778 nan 8.210 nan 0.000 0.426 145 A N 6.498 129.552 122.820 0.389 0.000 2.274 145 A HA 0.752 4.957 4.320 -0.192 0.000 0.309 145 A C -0.626 177.176 177.584 0.364 0.000 1.226 145 A CA -0.437 51.812 52.037 0.353 0.000 0.853 145 A CB 0.828 20.033 19.000 0.343 0.000 1.146 145 A HN 0.448 nan 8.150 nan 0.000 0.518 146 V N 4.146 124.221 119.914 0.268 0.000 2.409 146 V HA 0.472 4.477 4.120 -0.192 0.000 0.291 146 V C -0.531 175.635 176.094 0.121 0.000 1.020 146 V CA -0.522 61.876 62.300 0.164 0.000 0.848 146 V CB 1.151 33.058 31.823 0.141 0.000 0.990 146 V HN 0.930 nan 8.190 nan 0.000 0.430 147 Q N 2.575 122.441 119.800 0.110 0.000 2.359 147 Q HA 0.820 5.045 4.340 -0.192 0.000 0.274 147 Q C 0.015 176.024 176.000 0.015 0.000 1.074 147 Q CA -0.262 55.593 55.803 0.087 0.000 0.810 147 Q CB 2.874 31.736 28.738 0.207 0.000 1.342 147 Q HN 1.123 nan 8.270 nan 0.000 0.427 148 G N 1.708 110.490 108.800 -0.031 0.000 2.340 148 G HA2 -0.019 3.826 3.960 -0.192 0.000 0.527 148 G HA3 -0.019 3.826 3.960 -0.192 0.000 0.527 148 G C -2.548 172.303 174.900 -0.082 0.000 1.381 148 G CA -0.677 44.387 45.100 -0.060 0.000 1.001 148 G HN 0.334 nan 8.290 nan 0.000 0.626 149 P HA -0.011 nan 4.420 nan 0.000 0.222 149 P C 0.810 178.058 177.300 -0.088 0.000 1.147 149 P CA 1.006 64.058 63.100 -0.081 0.000 0.790 149 P CB 0.136 31.792 31.700 -0.073 0.000 0.780 150 N N -0.955 117.689 118.700 -0.093 0.000 2.203 150 N HA 0.171 4.796 4.740 -0.192 0.000 0.207 150 N C 1.418 176.859 175.510 -0.115 0.000 1.130 150 N CA 0.174 53.166 53.050 -0.097 0.000 0.861 150 N CB 0.042 38.477 38.487 -0.088 0.000 1.005 150 N HN 0.048 nan 8.380 nan 0.000 0.507 151 A N 0.983 123.726 122.820 -0.128 0.000 1.873 151 A HA -0.130 4.075 4.320 -0.192 0.000 0.215 151 A C 2.108 179.583 177.584 -0.182 0.000 1.186 151 A CA 1.120 53.075 52.037 -0.137 0.000 0.616 151 A CB -0.287 18.644 19.000 -0.116 0.000 0.823 151 A HN 0.221 nan 8.150 nan 0.000 0.442 152 Q N -0.655 118.968 119.800 -0.295 0.000 2.084 152 Q HA -0.097 4.128 4.340 -0.192 0.000 0.202 152 Q C 2.428 178.362 176.000 -0.109 0.000 0.978 152 Q CA 1.370 56.933 55.803 -0.400 0.000 0.844 152 Q CB -0.358 28.072 28.738 -0.513 0.000 0.898 152 Q HN 0.680 nan 8.270 nan 0.000 0.426 153 A N 1.405 124.160 122.820 -0.110 0.000 1.898 153 A HA -0.199 4.006 4.320 -0.192 0.000 0.216 153 A C 1.909 179.422 177.584 -0.119 0.000 1.181 153 A CA 1.415 53.402 52.037 -0.084 0.000 0.620 153 A CB -0.261 18.696 19.000 -0.072 0.000 0.819 153 A HN 0.169 nan 8.150 nan 0.000 0.442 154 K N -0.231 120.091 120.400 -0.130 0.000 2.026 154 K HA -0.073 4.132 4.320 -0.192 0.000 0.208 154 K C 2.318 178.795 176.600 -0.206 0.000 1.048 154 K CA 1.197 57.391 56.287 -0.156 0.000 0.929 154 K CB -0.348 32.062 32.500 -0.149 0.000 0.713 154 K HN 0.427 nan 8.250 nan 0.000 0.439 155 A N 1.514 124.222 122.820 -0.186 0.000 1.933 155 A HA -0.101 4.104 4.320 -0.192 0.000 0.218 155 A C 2.324 179.483 177.584 -0.709 0.000 1.175 155 A CA 1.788 53.668 52.037 -0.262 0.000 0.628 155 A CB -0.652 18.402 19.000 0.091 0.000 0.814 155 A HN 0.342 nan 8.150 nan 0.000 0.444 156 A N -0.153 122.280 122.820 -0.644 0.000 2.172 156 A HA -0.007 4.198 4.320 -0.192 0.000 0.216 156 A C 2.233 179.550 177.584 -0.445 0.000 1.154 156 A CA 2.030 53.553 52.037 -0.858 0.000 0.701 156 A CB -1.285 17.598 19.000 -0.195 0.000 0.789 156 A HN 0.796 nan 8.150 nan 0.000 0.465 157 T N -1.662 112.704 114.554 -0.313 0.000 2.929 157 T HA -0.062 4.173 4.350 -0.192 0.000 0.271 157 T C 1.507 176.104 174.700 -0.172 0.000 1.085 157 T CA 1.455 63.441 62.100 -0.190 0.000 1.125 157 T CB -0.492 68.280 68.868 -0.159 0.000 0.874 157 T HN 0.387 nan 8.240 nan 0.000 0.494 158 L N -0.938 120.132 121.223 -0.254 0.000 2.529 158 L HA 0.350 4.575 4.340 -0.192 0.000 0.223 158 L C 0.258 177.236 176.870 0.179 0.000 1.113 158 L CA -0.365 54.416 54.840 -0.098 0.000 0.861 158 L CB -0.305 41.610 42.059 -0.240 0.000 1.012 158 L HN 0.157 nan 8.230 nan 0.000 0.461 159 F N 1.864 121.850 119.950 0.061 0.000 2.429 159 F HA 0.137 4.547 4.527 -0.195 0.000 0.348 159 F C 1.009 176.826 175.800 0.028 0.000 1.109 159 F CA -1.891 56.141 58.000 0.054 0.000 1.232 159 F CB -0.116 38.896 39.000 0.021 0.000 1.157 159 F HN 0.120 nan 8.300 nan 0.000 0.564 160 N N 0.723 119.552 118.700 0.215 0.000 2.327 160 N HA 0.006 4.631 4.740 -0.192 0.000 0.257 160 N C 0.404 175.970 175.510 0.094 0.000 1.281 160 N CA -0.197 52.920 53.050 0.113 0.000 0.942 160 N CB 0.255 38.782 38.487 0.066 0.000 1.199 160 N HN 0.381 nan 8.380 nan 0.000 0.532 161 D N -0.825 119.607 120.400 0.054 0.000 2.144 161 D HA -0.063 4.462 4.640 -0.192 0.000 0.200 161 D C 1.725 178.037 176.300 0.020 0.000 0.978 161 D CA 1.802 55.826 54.000 0.040 0.000 0.833 161 D CB -0.672 40.142 40.800 0.024 0.000 0.961 161 D HN 0.689 nan 8.370 nan 0.000 0.470 162 A N 0.594 123.414 122.820 -0.001 0.000 1.930 162 A HA -0.210 3.995 4.320 -0.192 0.000 0.217 162 A C 2.117 179.663 177.584 -0.063 0.000 1.175 162 A CA 1.343 53.363 52.037 -0.029 0.000 0.627 162 A CB -0.508 18.469 19.000 -0.037 0.000 0.815 162 A HN 0.206 nan 8.150 nan 0.000 0.443 163 Q N -0.728 119.026 119.800 -0.077 0.000 2.079 163 Q HA -0.103 4.122 4.340 -0.192 0.000 0.200 163 Q C 2.336 178.252 176.000 -0.141 0.000 0.974 163 Q CA 1.428 57.107 55.803 -0.208 0.000 0.840 163 Q CB -0.141 28.401 28.738 -0.326 0.000 0.898 163 Q HN 0.609 nan 8.270 nan 0.000 0.430 164 R N 0.218 120.756 120.500 0.062 0.000 2.096 164 R HA -0.122 4.103 4.340 -0.192 0.000 0.235 164 R C 2.357 178.686 176.300 0.048 0.000 1.127 164 R CA 1.030 57.217 56.100 0.144 0.000 0.968 164 R CB -0.081 30.316 30.300 0.162 0.000 0.861 164 R HN 0.291 nan 8.270 nan 0.000 0.440 165 Q N 0.102 119.907 119.800 0.008 0.000 2.084 165 Q HA -0.131 4.094 4.340 -0.192 0.000 0.202 165 Q C 2.173 178.150 176.000 -0.038 0.000 0.978 165 Q CA 1.750 57.547 55.803 -0.011 0.000 0.844 165 Q CB -0.127 28.599 28.738 -0.019 0.000 0.898 165 Q HN 0.358 nan 8.270 nan 0.000 0.426 166 A N 0.466 123.241 122.820 -0.075 0.000 1.933 166 A HA -0.130 4.075 4.320 -0.192 0.000 0.218 166 A C 1.972 179.490 177.584 -0.110 0.000 1.175 166 A CA 1.776 53.748 52.037 -0.108 0.000 0.628 166 A CB -0.420 18.483 19.000 -0.161 0.000 0.814 166 A HN 0.323 nan 8.150 nan 0.000 0.444 167 V N -2.154 117.701 119.914 -0.098 0.000 3.542 167 V HA 0.252 4.257 4.120 -0.192 0.000 0.296 167 V C 0.387 176.502 176.094 0.034 0.000 1.364 167 V CA 0.158 62.429 62.300 -0.048 0.000 1.118 167 V CB -0.827 30.955 31.823 -0.067 0.000 0.972 167 V HN 0.463 nan 8.190 nan 0.000 0.430 168 E N 1.632 121.842 120.200 0.016 0.000 2.493 168 E HA 0.366 4.601 4.350 -0.192 0.000 0.255 168 E C 1.429 178.039 176.600 0.016 0.000 0.999 168 E CA 0.915 57.335 56.400 0.033 0.000 0.934 168 E CB -0.028 29.679 29.700 0.011 0.000 0.940 168 E HN 0.817 nan 8.360 nan 0.000 0.473 169 G N 4.395 113.217 108.800 0.037 0.000 2.187 169 G HA2 -0.367 3.478 3.960 -0.192 0.000 0.261 169 G HA3 -0.367 3.478 3.960 -0.192 0.000 0.261 169 G C 0.341 175.242 174.900 0.002 0.000 1.000 169 G CA 0.491 45.601 45.100 0.018 0.000 0.718 169 G HN 0.590 nan 8.290 nan 0.000 0.519 170 M N 0.616 120.227 119.600 0.018 0.000 2.260 170 M HA 0.263 4.628 4.480 -0.192 0.000 0.348 170 M C 0.879 177.212 176.300 0.054 0.000 1.342 170 M CA 0.343 55.629 55.300 -0.024 0.000 1.040 170 M CB 0.307 32.928 32.600 0.036 0.000 1.810 170 M HN 0.024 nan 8.290 nan 0.000 0.453 171 K N 5.070 125.490 120.400 0.033 0.000 2.107 171 K HA 0.420 4.625 4.320 -0.192 0.000 0.251 171 K C -2.464 174.375 176.600 0.398 0.000 1.012 171 K CA -1.486 54.928 56.287 0.212 0.000 0.920 171 K CB -0.020 32.625 32.500 0.241 0.000 1.033 171 K HN 0.395 nan 8.250 nan 0.000 0.478 172 P HA -0.041 nan 4.420 nan 0.000 0.266 172 P C -0.561 177.019 177.300 0.467 0.000 1.193 172 P CA 0.181 63.493 63.100 0.353 0.000 0.770 172 P CB 0.067 31.956 31.700 0.315 0.000 0.836 173 F N -1.065 118.970 119.950 0.141 0.000 3.040 173 F HA -0.193 4.191 4.527 -0.238 0.000 0.298 173 F C -0.324 175.399 175.800 -0.128 0.000 0.948 173 F CA 0.908 58.914 58.000 0.009 0.000 1.022 173 F CB -2.101 36.849 39.000 -0.083 0.000 1.023 173 F HN 0.145 nan 8.300 nan 0.000 0.742 174 F N -0.370 119.695 119.950 0.192 0.000 2.563 174 F HA 0.764 5.179 4.527 -0.187 0.000 0.316 174 F C 0.622 176.542 175.800 0.199 0.000 1.076 174 F CA -0.635 57.493 58.000 0.214 0.000 0.921 174 F CB 2.167 41.253 39.000 0.144 0.000 1.209 174 F HN -0.015 nan 8.300 nan 0.000 0.462 175 G N 0.859 109.911 108.800 0.420 0.000 2.620 175 G HA2 0.615 4.460 3.960 -0.192 0.000 0.301 175 G HA3 0.615 4.460 3.960 -0.192 0.000 0.301 175 G C -2.308 172.518 174.900 -0.124 0.000 1.347 175 G CA -0.931 44.087 45.100 -0.136 0.000 0.971 175 G HN 0.662 nan 8.290 nan 0.000 0.488 176 V N 0.997 120.601 119.914 -0.516 0.000 2.808 176 V HA 0.644 4.649 4.120 -0.192 0.000 0.308 176 V C -1.073 174.830 176.094 -0.318 0.000 1.099 176 V CA -0.819 61.327 62.300 -0.256 0.000 0.920 176 V CB 2.126 33.840 31.823 -0.182 0.000 1.014 176 V HN 0.865 nan 8.190 nan 0.000 0.425 177 Q N 4.257 123.979 119.800 -0.131 0.000 2.279 177 Q HA 0.759 4.984 4.340 -0.192 0.000 0.256 177 Q C -0.482 175.426 176.000 -0.154 0.000 0.937 177 Q CA 0.515 56.271 55.803 -0.078 0.000 0.933 177 Q CB 1.563 30.241 28.738 -0.099 0.000 1.189 177 Q HN 1.137 nan 8.270 nan 0.000 0.417 178 A N 4.043 126.755 122.820 -0.180 0.000 2.651 178 A HA 0.678 4.883 4.320 -0.192 0.000 0.290 178 A C 0.343 177.831 177.584 -0.161 0.000 1.185 178 A CA 0.007 51.931 52.037 -0.188 0.000 0.746 178 A CB 0.082 18.920 19.000 -0.270 0.000 1.213 178 A HN 1.186 nan 8.150 nan 0.000 0.429 179 G N 2.847 111.580 108.800 -0.111 0.000 2.574 179 G HA2 -0.286 3.559 3.960 -0.192 0.000 0.286 179 G HA3 -0.286 3.559 3.960 -0.192 0.000 0.286 179 G C 0.421 175.271 174.900 -0.083 0.000 1.212 179 G CA 1.138 46.188 45.100 -0.083 0.000 0.979 179 G HN 1.594 nan 8.290 nan 0.000 0.557 180 D N 0.682 121.038 120.400 -0.072 0.000 2.324 180 D HA 0.257 4.782 4.640 -0.192 0.000 0.235 180 D C 0.972 177.213 176.300 -0.098 0.000 1.095 180 D CA 0.298 54.256 54.000 -0.069 0.000 0.871 180 D CB -0.131 40.642 40.800 -0.046 0.000 0.906 180 D HN 0.538 nan 8.370 nan 0.000 0.522 181 L N 0.452 121.593 121.223 -0.138 0.000 2.313 181 L HA 0.406 4.631 4.340 -0.192 0.000 0.283 181 L C -0.907 175.878 176.870 -0.141 0.000 1.013 181 L CA -1.328 53.397 54.840 -0.193 0.000 0.816 181 L CB 1.541 43.414 42.059 -0.310 0.000 1.236 181 L HN -0.083 nan 8.230 nan 0.000 0.419 182 F N 5.149 124.951 119.950 -0.247 0.000 2.391 182 F HA 0.557 4.963 4.527 -0.202 0.000 0.359 182 F C -0.396 175.257 175.800 -0.244 0.000 1.122 182 F CA -0.482 57.368 58.000 -0.250 0.000 1.120 182 F CB 0.623 39.492 39.000 -0.219 0.000 1.142 182 F HN 0.209 nan 8.300 nan 0.000 0.483 183 I N 6.231 126.296 120.570 -0.842 0.000 2.362 183 I HA 0.637 4.692 4.170 -0.192 0.000 0.289 183 I C -0.495 175.199 176.117 -0.706 0.000 0.994 183 I CA -0.682 60.202 61.300 -0.694 0.000 1.158 183 I CB 1.525 39.073 38.000 -0.754 0.000 1.315 183 I HN 0.743 nan 8.210 nan 0.000 0.451 184 A N 3.165 125.754 122.820 -0.386 0.000 2.414 184 A HA 0.680 4.884 4.320 -0.192 0.000 0.306 184 A C -0.035 177.630 177.584 0.135 0.000 1.054 184 A CA -0.601 51.343 52.037 -0.155 0.000 0.724 184 A CB 1.203 20.163 19.000 -0.067 0.000 1.267 184 A HN 0.697 nan 8.150 nan 0.000 0.418 185 T N 0.464 115.125 114.554 0.177 0.000 3.766 185 T HA 0.489 4.724 4.350 -0.192 0.000 0.327 185 T C 0.344 175.032 174.700 -0.019 0.000 1.595 185 T CA 0.191 62.401 62.100 0.183 0.000 1.204 185 T CB -1.145 67.859 68.868 0.226 0.000 1.245 185 T HN 0.984 nan 8.240 nan 0.000 0.875 186 T N -1.359 113.157 114.554 -0.063 0.000 2.831 186 T HA 0.940 5.175 4.350 -0.192 0.000 0.287 186 T C 0.028 174.693 174.700 -0.059 0.000 1.070 186 T CA -0.618 61.322 62.100 -0.267 0.000 1.010 186 T CB 2.108 70.752 68.868 -0.373 0.000 1.264 186 T HN 0.881 nan 8.240 nan 0.000 0.532 187 G N -1.026 107.752 108.800 -0.036 0.000 2.313 187 G HA2 0.398 4.243 3.960 -0.192 0.000 0.296 187 G HA3 0.398 4.243 3.960 -0.192 0.000 0.296 187 G C -1.927 173.057 174.900 0.139 0.000 1.356 187 G CA -0.611 44.525 45.100 0.059 0.000 0.833 187 G HN 0.766 nan 8.290 nan 0.000 0.552 188 Y N 0.703 120.958 120.300 -0.075 0.000 2.721 188 Y HA 0.394 4.969 4.550 0.041 0.000 0.251 188 Y C 1.752 177.590 175.900 -0.104 0.000 1.136 188 Y CA 0.465 58.510 58.100 -0.092 0.000 1.142 188 Y CB 0.458 38.836 38.460 -0.138 0.000 1.212 188 Y HN 0.779 nan 8.280 nan 0.000 0.565 189 T N -5.284 109.247 114.554 -0.038 0.000 2.958 189 T HA 0.377 4.612 4.350 -0.192 0.000 0.256 189 T C 1.616 176.268 174.700 -0.081 0.000 0.983 189 T CA 0.527 62.568 62.100 -0.098 0.000 0.924 189 T CB 0.376 69.219 68.868 -0.042 0.000 1.136 189 T HN 0.421 nan 8.240 nan 0.000 0.506 190 G N 1.210 109.984 108.800 -0.043 0.000 2.195 190 G HA2 -0.179 3.666 3.960 -0.192 0.000 0.246 190 G HA3 -0.179 3.666 3.960 -0.192 0.000 0.246 190 G C -0.139 174.745 174.900 -0.027 0.000 0.984 190 G CA 0.147 45.225 45.100 -0.036 0.000 0.633 190 G HN 0.611 nan 8.290 nan 0.000 0.525 191 E N 0.159 120.345 120.200 -0.022 0.000 2.243 191 E HA 0.736 4.971 4.350 -0.192 0.000 0.260 191 E C 0.713 177.303 176.600 -0.016 0.000 0.985 191 E CA -0.023 56.361 56.400 -0.027 0.000 0.858 191 E CB 1.429 31.106 29.700 -0.037 0.000 1.210 191 E HN 0.729 nan 8.360 nan 0.000 0.411 192 A N 0.063 122.861 122.820 -0.036 0.000 2.386 192 A HA 0.605 4.810 4.320 -0.192 0.000 0.246 192 A C 0.592 178.119 177.584 -0.095 0.000 1.089 192 A CA 0.890 52.892 52.037 -0.059 0.000 0.790 192 A CB 0.129 19.080 19.000 -0.081 0.000 1.042 192 A HN 0.641 nan 8.150 nan 0.000 0.497 193 G N -1.270 107.428 108.800 -0.169 0.000 2.351 193 G HA2 0.445 4.290 3.960 -0.192 0.000 0.279 193 G HA3 0.445 4.290 3.960 -0.192 0.000 0.279 193 G C -1.730 173.022 174.900 -0.247 0.000 1.297 193 G CA -0.637 44.320 45.100 -0.239 0.000 0.886 193 G HN 0.824 nan 8.290 nan 0.000 0.493 194 Y N 0.224 120.577 120.300 0.088 0.000 2.576 194 Y HA 0.687 5.119 4.550 -0.197 0.000 0.346 194 Y C 0.078 176.040 175.900 0.103 0.000 1.018 194 Y CA -1.097 57.058 58.100 0.091 0.000 1.050 194 Y CB 2.184 40.731 38.460 0.146 0.000 1.280 194 Y HN 0.523 nan 8.280 nan 0.000 0.474 195 E N 2.122 122.479 120.200 0.262 0.000 2.187 195 E HA 0.602 4.837 4.350 -0.192 0.000 0.268 195 E C -1.300 175.393 176.600 0.155 0.000 0.896 195 E CA -0.532 55.994 56.400 0.210 0.000 0.766 195 E CB 2.218 32.024 29.700 0.176 0.000 1.142 195 E HN 0.426 nan 8.360 nan 0.000 0.408 196 I N 2.366 123.031 120.570 0.159 0.000 2.410 196 I HA 0.430 4.485 4.170 -0.192 0.000 0.286 196 I C -0.429 175.722 176.117 0.057 0.000 1.009 196 I CA -0.630 60.701 61.300 0.051 0.000 1.111 196 I CB 1.714 39.740 38.000 0.044 0.000 1.262 196 I HN 0.480 nan 8.210 nan 0.000 0.443 197 A N 8.028 130.903 122.820 0.091 0.000 2.324 197 A HA 0.988 5.193 4.320 -0.192 0.000 0.330 197 A C -0.681 176.897 177.584 -0.010 0.000 1.165 197 A CA -0.467 51.617 52.037 0.078 0.000 0.813 197 A CB 1.332 20.408 19.000 0.126 0.000 1.197 197 A HN 0.789 nan 8.150 nan 0.000 0.484 198 L N -0.948 120.254 121.223 -0.036 0.000 2.671 198 L HA 0.747 4.972 4.340 -0.192 0.000 0.259 198 L C -3.212 173.643 176.870 -0.026 0.000 1.021 198 L CA -2.449 52.346 54.840 -0.074 0.000 0.871 198 L CB 1.742 43.688 42.059 -0.189 0.000 1.472 198 L HN 0.321 nan 8.230 nan 0.000 0.410 199 P HA 0.188 nan 4.420 nan 0.000 0.269 199 P C -0.178 177.137 177.300 0.025 0.000 1.209 199 P CA -0.153 62.949 63.100 0.003 0.000 0.776 199 P CB 0.481 32.182 31.700 0.002 0.000 0.876 200 N N 2.152 120.874 118.700 0.036 0.000 2.149 200 N HA -0.178 4.447 4.740 -0.192 0.000 0.188 200 N C 1.311 176.854 175.510 0.056 0.000 1.019 200 N CA 1.261 54.343 53.050 0.053 0.000 0.857 200 N CB -0.347 38.175 38.487 0.059 0.000 0.997 200 N HN 0.610 nan 8.380 nan 0.000 0.426 201 E N 0.356 120.584 120.200 0.047 0.000 2.482 201 E HA -0.063 4.172 4.350 -0.192 0.000 0.196 201 E C 0.610 177.247 176.600 0.061 0.000 1.047 201 E CA 0.666 57.096 56.400 0.050 0.000 0.869 201 E CB 0.091 29.814 29.700 0.039 0.000 0.836 201 E HN 0.157 nan 8.360 nan 0.000 0.520 202 K N 0.202 120.642 120.400 0.066 0.000 2.355 202 K HA 0.299 4.504 4.320 -0.192 0.000 0.198 202 K C 1.660 178.345 176.600 0.141 0.000 1.039 202 K CA 0.639 56.980 56.287 0.091 0.000 1.075 202 K CB 0.804 33.343 32.500 0.064 0.000 0.870 202 K HN 0.160 nan 8.250 nan 0.000 0.540 203 A N 1.471 124.366 122.820 0.125 0.000 1.898 203 A HA 0.045 4.250 4.320 -0.192 0.000 0.214 203 A C 2.353 180.075 177.584 0.230 0.000 1.183 203 A CA 1.579 53.723 52.037 0.178 0.000 0.622 203 A CB -0.382 18.694 19.000 0.128 0.000 0.824 203 A HN 0.206 nan 8.150 nan 0.000 0.444 204 A N 0.236 123.141 122.820 0.141 0.000 1.908 204 A HA -0.227 3.978 4.320 -0.192 0.000 0.218 204 A C 1.760 179.459 177.584 0.192 0.000 1.181 204 A CA 2.101 54.209 52.037 0.118 0.000 0.627 204 A CB -0.596 18.436 19.000 0.054 0.000 0.818 204 A HN 0.434 nan 8.150 nan 0.000 0.445 205 D N -1.753 118.756 120.400 0.181 0.000 2.183 205 D HA -0.027 4.498 4.640 -0.192 0.000 0.203 205 D C 1.548 177.964 176.300 0.195 0.000 0.969 205 D CA 0.665 54.762 54.000 0.161 0.000 0.842 205 D CB -0.318 40.563 40.800 0.135 0.000 0.957 205 D HN 0.446 nan 8.370 nan 0.000 0.484 206 F N 0.348 120.375 119.950 0.129 0.000 2.146 206 F HA -0.124 4.287 4.527 -0.193 0.000 0.298 206 F C 2.226 178.122 175.800 0.161 0.000 1.096 206 F CA 1.173 59.252 58.000 0.130 0.000 1.275 206 F CB -0.104 38.981 39.000 0.142 0.000 1.008 206 F HN 0.060 nan 8.300 nan 0.000 0.480 207 W N 1.723 123.119 121.300 0.159 0.000 2.335 207 W HA -0.275 4.265 4.660 -0.200 0.000 0.311 207 W C 2.544 179.035 176.519 -0.047 0.000 1.213 207 W CA 2.183 59.559 57.345 0.051 0.000 1.274 207 W CB -0.742 28.739 29.460 0.036 0.000 1.148 207 W HN 0.060 nan 8.180 nan 0.000 0.498 208 R N 0.675 121.310 120.500 0.225 0.000 2.096 208 R HA -0.203 4.022 4.340 -0.192 0.000 0.240 208 R C 2.446 178.695 176.300 -0.084 0.000 1.139 208 R CA 2.395 58.540 56.100 0.074 0.000 0.952 208 R CB -0.803 29.557 30.300 0.100 0.000 0.854 208 R HN 0.123 nan 8.270 nan 0.000 0.436 209 A N 0.842 123.582 122.820 -0.133 0.000 1.933 209 A HA -0.127 4.078 4.320 -0.192 0.000 0.218 209 A C 2.213 179.609 177.584 -0.313 0.000 1.175 209 A CA 1.212 53.114 52.037 -0.225 0.000 0.628 209 A CB -0.484 18.339 19.000 -0.296 0.000 0.814 209 A HN 0.359 nan 8.150 nan 0.000 0.444 210 L N -0.620 120.358 121.223 -0.407 0.000 2.046 210 L HA -0.165 4.060 4.340 -0.192 0.000 0.208 210 L C 2.552 179.193 176.870 -0.380 0.000 1.077 210 L CA 1.087 55.676 54.840 -0.419 0.000 0.747 210 L CB -0.578 41.210 42.059 -0.452 0.000 0.896 210 L HN 0.246 nan 8.230 nan 0.000 0.432 211 V N -0.011 119.652 119.914 -0.419 0.000 2.282 211 V HA -0.347 3.658 4.120 -0.192 0.000 0.249 211 V C 2.336 178.298 176.094 -0.220 0.000 1.057 211 V CA 2.114 64.213 62.300 -0.334 0.000 1.032 211 V CB -0.552 31.110 31.823 -0.267 0.000 0.645 211 V HN 0.492 nan 8.190 nan 0.000 0.447 212 E N -0.046 120.043 120.200 -0.184 0.000 2.204 212 E HA -0.077 4.158 4.350 -0.192 0.000 0.194 212 E C 2.041 178.555 176.600 -0.144 0.000 0.989 212 E CA 0.970 57.288 56.400 -0.135 0.000 0.824 212 E CB -0.242 29.393 29.700 -0.108 0.000 0.756 212 E HN 0.612 nan 8.360 nan 0.000 0.477 213 A N 0.344 123.054 122.820 -0.183 0.000 2.235 213 A HA 0.213 4.418 4.320 -0.192 0.000 0.208 213 A C 1.600 179.087 177.584 -0.162 0.000 1.172 213 A CA 0.802 52.734 52.037 -0.175 0.000 0.786 213 A CB -0.335 18.538 19.000 -0.212 0.000 0.804 213 A HN 0.317 nan 8.150 nan 0.000 0.479 214 G N -1.690 107.011 108.800 -0.166 0.000 2.131 214 G HA2 -0.174 3.671 3.960 -0.192 0.000 0.223 214 G HA3 -0.174 3.671 3.960 -0.192 0.000 0.223 214 G C 0.052 174.849 174.900 -0.171 0.000 0.990 214 G CA 0.028 45.041 45.100 -0.145 0.000 0.671 214 G HN 0.752 nan 8.290 nan 0.000 0.521 215 V N 1.225 121.004 119.914 -0.225 0.000 2.432 215 V HA 0.367 4.372 4.120 -0.192 0.000 0.271 215 V C 0.937 176.842 176.094 -0.314 0.000 1.046 215 V CA -0.267 61.877 62.300 -0.259 0.000 0.945 215 V CB 1.532 33.174 31.823 -0.302 0.000 0.992 215 V HN 0.401 nan 8.190 nan 0.000 0.471 216 K N 6.830 127.066 120.400 -0.272 0.000 2.276 216 K HA 0.304 4.509 4.320 -0.192 0.000 0.283 216 K C -2.526 173.821 176.600 -0.421 0.000 1.044 216 K CA -1.721 54.393 56.287 -0.289 0.000 0.944 216 K CB 0.957 33.343 32.500 -0.190 0.000 1.012 216 K HN 0.355 nan 8.250 nan 0.000 0.472 217 P HA -0.007 nan 4.420 nan 0.000 0.263 217 P C -1.070 175.882 177.300 -0.580 0.000 1.195 217 P CA -0.244 62.435 63.100 -0.702 0.000 0.762 217 P CB 0.496 31.534 31.700 -1.104 0.000 0.799 218 C N 3.723 122.813 119.300 -0.349 0.000 2.547 218 C HA 0.773 5.118 4.460 -0.192 0.000 0.313 218 C C 1.024 176.096 174.990 0.137 0.000 1.191 218 C CA -0.178 58.717 59.018 -0.206 0.000 1.474 218 C CB 1.599 28.839 27.740 -0.834 0.000 2.081 218 C HN 0.676 nan 8.230 nan 0.000 0.476 219 G N 0.982 109.990 108.800 0.348 0.000 2.828 219 G HA2 0.533 4.378 3.960 -0.192 0.000 0.244 219 G HA3 0.533 4.378 3.960 -0.192 0.000 0.244 219 G C 0.638 175.730 174.900 0.319 0.000 1.365 219 G CA -0.555 44.721 45.100 0.292 0.000 1.041 219 G HN 0.702 nan 8.290 nan 0.000 0.560 220 L N 0.341 121.633 121.223 0.114 0.000 2.201 220 L HA 0.050 4.275 4.340 -0.192 0.000 0.212 220 L C 3.041 179.969 176.870 0.097 0.000 1.105 220 L CA 1.101 55.958 54.840 0.027 0.000 0.775 220 L CB -0.459 41.469 42.059 -0.218 0.000 0.913 220 L HN 0.657 nan 8.230 nan 0.000 0.440 221 G N -0.108 108.775 108.800 0.138 0.000 2.433 221 G HA2 -0.263 3.582 3.960 -0.192 0.000 0.216 221 G HA3 -0.263 3.582 3.960 -0.192 0.000 0.216 221 G C 1.756 176.775 174.900 0.199 0.000 1.186 221 G CA 0.807 45.999 45.100 0.154 0.000 0.779 221 G HN 0.450 nan 8.290 nan 0.000 0.543 222 A N 0.412 123.399 122.820 0.279 0.000 1.969 222 A HA 0.066 4.271 4.320 -0.192 0.000 0.218 222 A C 2.296 180.084 177.584 0.340 0.000 1.169 222 A CA 1.706 53.952 52.037 0.347 0.000 0.635 222 A CB -0.401 18.829 19.000 0.383 0.000 0.810 222 A HN 0.376 nan 8.150 nan 0.000 0.445 223 R N -0.267 120.444 120.500 0.351 0.000 2.096 223 R HA -0.199 4.026 4.340 -0.192 0.000 0.235 223 R C 1.724 178.032 176.300 0.013 0.000 1.127 223 R CA 1.926 58.050 56.100 0.041 0.000 0.968 223 R CB -0.323 29.962 30.300 -0.025 0.000 0.861 223 R HN 0.508 nan 8.270 nan 0.000 0.440 224 D N -0.866 119.582 120.400 0.081 0.000 2.123 224 D HA -0.118 4.407 4.640 -0.192 0.000 0.200 224 D C 1.817 178.144 176.300 0.045 0.000 0.976 224 D CA 1.968 56.003 54.000 0.058 0.000 0.831 224 D CB 0.023 40.875 40.800 0.088 0.000 0.974 224 D HN 0.390 nan 8.370 nan 0.000 0.469 225 T N -1.443 113.184 114.554 0.122 0.000 2.777 225 T HA -0.102 4.133 4.350 -0.192 0.000 0.266 225 T C 2.293 177.109 174.700 0.195 0.000 1.040 225 T CA 0.851 63.046 62.100 0.158 0.000 1.141 225 T CB -0.680 68.302 68.868 0.190 0.000 0.868 225 T HN 0.137 nan 8.240 nan 0.000 0.444 226 L N 1.431 122.739 121.223 0.143 0.000 2.017 226 L HA -0.044 4.181 4.340 -0.192 0.000 0.208 226 L C 3.097 179.892 176.870 -0.125 0.000 1.073 226 L CA 1.847 56.659 54.840 -0.047 0.000 0.745 226 L CB -0.493 41.491 42.059 -0.125 0.000 0.894 226 L HN 0.349 nan 8.230 nan 0.000 0.432 227 R N 0.017 120.366 120.500 -0.251 0.000 2.115 227 R HA -0.153 4.072 4.340 -0.192 0.000 0.230 227 R C 2.011 178.162 176.300 -0.249 0.000 1.111 227 R CA 1.261 57.060 56.100 -0.502 0.000 0.976 227 R CB -1.063 28.519 30.300 -1.197 0.000 0.870 227 R HN 0.154 nan 8.270 nan 0.000 0.445 228 L N 1.256 122.410 121.223 -0.115 0.000 2.044 228 L HA 0.029 4.254 4.340 -0.192 0.000 0.205 228 L C 1.893 178.823 176.870 0.100 0.000 1.075 228 L CA 1.783 56.619 54.840 -0.007 0.000 0.747 228 L CB -0.628 41.419 42.059 -0.020 0.000 0.903 228 L HN 0.306 nan 8.230 nan 0.000 0.435 229 E N -0.515 119.725 120.200 0.066 0.000 2.118 229 E HA -0.213 4.022 4.350 -0.192 0.000 0.195 229 E C 1.868 178.598 176.600 0.216 0.000 0.992 229 E CA 1.170 57.677 56.400 0.178 0.000 0.804 229 E CB -0.227 29.546 29.700 0.121 0.000 0.741 229 E HN 0.604 nan 8.360 nan 0.000 0.458 230 A N 0.007 122.864 122.820 0.061 0.000 2.238 230 A HA 0.233 4.438 4.320 -0.192 0.000 0.208 230 A C 1.574 179.149 177.584 -0.015 0.000 1.177 230 A CA 0.757 52.791 52.037 -0.006 0.000 0.804 230 A CB -0.266 18.688 19.000 -0.078 0.000 0.823 230 A HN 0.323 nan 8.150 nan 0.000 0.482 231 G N -1.092 107.743 108.800 0.058 0.000 2.176 231 G HA2 -0.258 3.587 3.960 -0.192 0.000 0.252 231 G HA3 -0.258 3.587 3.960 -0.192 0.000 0.252 231 G C 0.035 174.951 174.900 0.027 0.000 1.024 231 G CA 0.548 45.671 45.100 0.038 0.000 0.755 231 G HN 0.439 nan 8.290 nan 0.000 0.507 232 M N 0.378 119.971 119.600 -0.012 0.000 2.264 232 M HA 0.354 4.719 4.480 -0.192 0.000 0.352 232 M C 0.184 176.548 176.300 0.107 0.000 1.173 232 M CA -0.884 54.426 55.300 0.018 0.000 1.075 232 M CB 0.906 33.437 32.600 -0.115 0.000 1.621 232 M HN 0.057 nan 8.290 nan 0.000 0.457 233 N N 2.109 120.955 118.700 0.244 0.000 2.525 233 N HA 0.345 4.970 4.740 -0.192 0.000 0.271 233 N C -1.229 174.491 175.510 0.351 0.000 1.194 233 N CA -0.357 52.854 53.050 0.269 0.000 0.964 233 N CB 0.818 39.483 38.487 0.297 0.000 1.126 233 N HN 0.408 nan 8.380 nan 0.000 0.452 234 L N 2.974 124.367 121.223 0.283 0.000 2.305 234 L HA 0.331 4.556 4.340 -0.192 0.000 0.284 234 L C -0.925 176.087 176.870 0.237 0.000 1.013 234 L CA -0.837 54.191 54.840 0.313 0.000 0.819 234 L CB 0.366 42.600 42.059 0.292 0.000 1.227 234 L HN 0.422 nan 8.230 nan 0.000 0.417 235 Y N 5.406 125.791 120.300 0.142 0.000 2.712 235 Y HA 0.381 4.802 4.550 -0.215 0.000 0.333 235 Y C 1.407 177.359 175.900 0.086 0.000 1.225 235 Y CA 1.609 59.758 58.100 0.083 0.000 1.499 235 Y CB 0.849 39.326 38.460 0.028 0.000 1.288 235 Y HN 0.912 nan 8.280 nan 0.000 0.575 236 G N 3.397 111.818 108.800 -0.632 0.000 2.254 236 G HA2 -0.265 3.580 3.960 -0.192 0.000 0.225 236 G HA3 -0.265 3.580 3.960 -0.192 0.000 0.225 236 G C 0.775 175.591 174.900 -0.140 0.000 1.003 236 G CA 0.610 45.528 45.100 -0.302 0.000 0.622 236 G HN 0.603 nan 8.290 nan 0.000 0.507 237 Q N -0.830 118.925 119.800 -0.074 0.000 2.642 237 Q HA 0.249 4.474 4.340 -0.192 0.000 0.202 237 Q C 2.028 178.025 176.000 -0.004 0.000 0.845 237 Q CA 0.604 56.408 55.803 0.001 0.000 0.873 237 Q CB 0.096 28.877 28.738 0.072 0.000 1.190 237 Q HN 0.294 nan 8.270 nan 0.000 0.642 238 E N 0.491 120.707 120.200 0.026 0.000 2.268 238 E HA -0.046 4.189 4.350 -0.192 0.000 0.195 238 E C 0.575 177.173 176.600 -0.003 0.000 0.995 238 E CA 0.853 57.277 56.400 0.041 0.000 0.836 238 E CB 0.312 30.071 29.700 0.098 0.000 0.763 238 E HN 0.231 nan 8.360 nan 0.000 0.491 239 M N -0.607 118.937 119.600 -0.093 0.000 2.682 239 M HA 0.495 4.860 4.480 -0.192 0.000 0.272 239 M C -1.879 174.167 176.300 -0.425 0.000 1.232 239 M CA -0.849 54.361 55.300 -0.150 0.000 0.849 239 M CB 1.960 34.534 32.600 -0.043 0.000 1.695 239 M HN -0.077 nan 8.290 nan 0.000 0.481 240 D N -0.320 119.885 120.400 -0.325 0.000 2.970 240 D HA 0.283 4.808 4.640 -0.192 0.000 0.344 240 D C -0.137 176.118 176.300 -0.075 0.000 1.365 240 D CA -0.372 53.382 54.000 -0.410 0.000 0.910 240 D CB 0.449 41.033 40.800 -0.359 0.000 1.445 240 D HN 0.668 nan 8.370 nan 0.000 0.532 241 E N -0.885 119.321 120.200 0.009 0.000 2.333 241 E HA -0.086 4.149 4.350 -0.192 0.000 0.198 241 E C 1.164 177.753 176.600 -0.019 0.000 1.007 241 E CA 1.645 58.045 56.400 -0.001 0.000 0.845 241 E CB -0.193 29.501 29.700 -0.010 0.000 0.766 241 E HN 0.615 nan 8.360 nan 0.000 0.507 242 T N -1.455 113.085 114.554 -0.022 0.000 3.100 242 T HA 0.098 4.333 4.350 -0.192 0.000 0.253 242 T C 0.747 175.441 174.700 -0.009 0.000 1.118 242 T CA -0.095 61.998 62.100 -0.012 0.000 1.058 242 T CB 0.156 69.019 68.868 -0.009 0.000 0.953 242 T HN -0.150 nan 8.240 nan 0.000 0.515 243 I N 2.107 122.665 120.570 -0.019 0.000 2.404 243 I HA 0.422 4.477 4.170 -0.192 0.000 0.293 243 I C 0.385 176.502 176.117 -0.000 0.000 0.992 243 I CA -1.022 60.273 61.300 -0.009 0.000 1.149 243 I CB 1.432 39.417 38.000 -0.024 0.000 1.315 243 I HN 0.154 nan 8.210 nan 0.000 0.446 244 S N 8.061 123.771 115.700 0.017 0.000 2.564 244 S HA 0.265 4.620 4.470 -0.192 0.000 0.278 244 S C -1.185 173.427 174.600 0.020 0.000 1.333 244 S CA -0.942 57.272 58.200 0.023 0.000 1.048 244 S CB 0.836 64.065 63.200 0.047 0.000 0.900 244 S HN 0.477 nan 8.310 nan 0.000 0.505 245 P HA -0.092 nan 4.420 nan 0.000 0.221 245 P C 1.331 178.650 177.300 0.032 0.000 1.145 245 P CA 1.047 64.140 63.100 -0.012 0.000 0.795 245 P CB -0.046 31.605 31.700 -0.082 0.000 0.775 246 L N -0.927 120.334 121.223 0.064 0.000 2.275 246 L HA -0.018 4.207 4.340 -0.192 0.000 0.215 246 L C 2.288 179.209 176.870 0.085 0.000 1.119 246 L CA 1.101 56.001 54.840 0.100 0.000 0.790 246 L CB -0.749 41.389 42.059 0.131 0.000 0.919 246 L HN -0.052 nan 8.230 nan 0.000 0.443 247 A N -0.621 122.239 122.820 0.067 0.000 2.345 247 A HA 0.507 4.712 4.320 -0.192 0.000 0.225 247 A C 1.463 179.084 177.584 0.061 0.000 1.243 247 A CA 0.616 52.689 52.037 0.061 0.000 0.875 247 A CB -0.068 18.963 19.000 0.052 0.000 0.929 247 A HN 0.245 nan 8.150 nan 0.000 0.502 248 A N -0.298 122.564 122.820 0.070 0.000 2.616 248 A HA 0.452 4.657 4.320 -0.192 0.000 0.294 248 A C 0.531 178.190 177.584 0.125 0.000 1.091 248 A CA 0.140 52.227 52.037 0.084 0.000 0.971 248 A CB -0.560 18.479 19.000 0.065 0.000 1.222 248 A HN 0.545 nan 8.150 nan 0.000 0.521 249 N N -0.761 118.020 118.700 0.135 0.000 2.721 249 N HA -0.206 4.419 4.740 -0.192 0.000 0.249 249 N C 0.325 176.026 175.510 0.318 0.000 1.072 249 N CA 1.651 54.823 53.050 0.203 0.000 0.710 249 N CB -1.582 37.007 38.487 0.170 0.000 0.993 249 N HN 0.621 nan 8.380 nan 0.000 0.547 250 M N -1.894 117.810 119.600 0.173 0.000 2.333 250 M HA 0.272 4.637 4.480 -0.192 0.000 0.257 250 M C 2.010 178.254 176.300 -0.094 0.000 1.078 250 M CA 0.431 55.731 55.300 -0.000 0.000 1.005 250 M CB 0.395 32.934 32.600 -0.102 0.000 1.444 250 M HN 0.294 nan 8.290 nan 0.000 0.496 251 G N 1.632 110.487 108.800 0.093 0.000 2.503 251 G HA2 -0.237 3.608 3.960 -0.192 0.000 0.221 251 G HA3 -0.237 3.608 3.960 -0.192 0.000 0.221 251 G C 1.210 176.181 174.900 0.118 0.000 1.131 251 G CA 0.985 46.164 45.100 0.133 0.000 0.756 251 G HN 0.788 nan 8.290 nan 0.000 0.572 252 W N 1.746 123.062 121.300 0.026 0.000 2.595 252 W HA 0.017 4.538 4.660 -0.232 0.000 0.257 252 W C 1.461 177.954 176.519 -0.044 0.000 1.267 252 W CA 1.569 58.918 57.345 0.007 0.000 1.300 252 W CB -1.186 28.275 29.460 0.001 0.000 1.120 252 W HN 0.297 nan 8.180 nan 0.000 0.618 253 T N -1.346 112.748 114.554 -0.767 0.000 3.086 253 T HA 0.194 4.429 4.350 -0.192 0.000 0.250 253 T C 0.730 175.073 174.700 -0.595 0.000 1.074 253 T CA -0.200 61.396 62.100 -0.841 0.000 0.988 253 T CB -0.402 67.813 68.868 -1.087 0.000 0.988 253 T HN -0.138 nan 8.240 nan 0.000 0.530 254 I N 2.729 123.001 120.570 -0.496 0.000 2.379 254 I HA 0.432 4.487 4.170 -0.192 0.000 0.290 254 I C 0.621 176.385 176.117 -0.588 0.000 1.063 254 I CA -1.139 59.754 61.300 -0.678 0.000 1.351 254 I CB -0.106 37.378 38.000 -0.860 0.000 1.410 254 I HN 0.255 nan 8.210 nan 0.000 0.505 255 A N 6.874 129.360 122.820 -0.557 0.000 2.774 255 A HA 0.251 4.456 4.320 -0.192 0.000 0.326 255 A C 0.657 178.142 177.584 -0.165 0.000 1.478 255 A CA -0.612 51.253 52.037 -0.287 0.000 1.099 255 A CB -0.353 18.496 19.000 -0.251 0.000 1.148 255 A HN 0.824 nan 8.150 nan 0.000 0.519 256 W N 0.982 122.294 121.300 0.019 0.000 2.363 256 W HA -0.060 4.488 4.660 -0.186 0.000 0.296 256 W C 0.754 177.307 176.519 0.056 0.000 1.212 256 W CA 0.638 58.028 57.345 0.074 0.000 1.260 256 W CB 0.243 29.730 29.460 0.046 0.000 1.131 256 W HN 0.448 nan 8.180 nan 0.000 0.530 257 E N 1.199 121.539 120.200 0.235 0.000 2.249 257 E HA 0.182 4.417 4.350 -0.192 0.000 0.280 257 E C -2.015 174.631 176.600 0.076 0.000 1.016 257 E CA -2.261 54.221 56.400 0.136 0.000 0.830 257 E CB 0.098 29.860 29.700 0.104 0.000 1.081 257 E HN -0.131 nan 8.360 nan 0.000 0.395 258 P HA 0.108 nan 4.420 nan 0.000 0.275 258 P C 0.203 177.563 177.300 0.100 0.000 1.227 258 P CA -0.138 63.005 63.100 0.071 0.000 0.781 258 P CB 0.930 32.659 31.700 0.049 0.000 0.906 259 A N 3.086 125.964 122.820 0.095 0.000 2.019 259 A HA -0.186 4.019 4.320 -0.192 0.000 0.219 259 A C 1.384 179.017 177.584 0.082 0.000 1.164 259 A CA 1.783 53.883 52.037 0.104 0.000 0.644 259 A CB -1.033 18.011 19.000 0.073 0.000 0.805 259 A HN 0.642 nan 8.150 nan 0.000 0.449 260 D N -1.052 119.387 120.400 0.064 0.000 2.336 260 D HA -0.031 4.494 4.640 -0.192 0.000 0.229 260 D C 0.796 177.134 176.300 0.063 0.000 1.061 260 D CA -0.077 53.954 54.000 0.052 0.000 0.875 260 D CB -0.456 40.367 40.800 0.039 0.000 0.904 260 D HN 0.388 nan 8.370 nan 0.000 0.525 261 R N 1.107 121.659 120.500 0.087 0.000 2.235 261 R HA 0.148 4.373 4.340 -0.192 0.000 0.338 261 R C -0.857 175.523 176.300 0.133 0.000 1.087 261 R CA -0.585 55.585 56.100 0.116 0.000 0.948 261 R CB 0.204 30.580 30.300 0.126 0.000 1.099 261 R HN -0.114 nan 8.270 nan 0.000 0.483 262 D N 4.045 124.508 120.400 0.105 0.000 2.341 262 D HA 0.170 4.695 4.640 -0.192 0.000 0.245 262 D C -0.846 175.556 176.300 0.169 0.000 1.106 262 D CA 0.130 54.156 54.000 0.043 0.000 0.905 262 D CB 0.484 41.336 40.800 0.086 0.000 1.202 262 D HN 0.338 nan 8.370 nan 0.000 0.426 263 F N 0.486 120.451 119.950 0.025 0.000 2.643 263 F HA 0.517 4.933 4.527 -0.185 0.000 0.314 263 F C -0.553 175.100 175.800 -0.245 0.000 1.096 263 F CA -1.431 56.474 58.000 -0.159 0.000 0.953 263 F CB 0.423 39.282 39.000 -0.234 0.000 1.345 263 F HN 0.108 nan 8.300 nan 0.000 0.468 264 I N 2.065 122.466 120.570 -0.282 0.000 2.598 264 I HA 0.330 4.385 4.170 -0.192 0.000 0.284 264 I C 1.209 177.303 176.117 -0.039 0.000 1.140 264 I CA 1.159 62.323 61.300 -0.226 0.000 1.420 264 I CB 0.282 38.122 38.000 -0.267 0.000 1.387 264 I HN 1.123 nan 8.210 nan 0.000 0.553 265 G N 5.183 113.936 108.800 -0.079 0.000 2.195 265 G HA2 -0.326 3.519 3.960 -0.192 0.000 0.246 265 G HA3 -0.326 3.519 3.960 -0.192 0.000 0.246 265 G C 1.288 176.085 174.900 -0.172 0.000 0.984 265 G CA 0.499 45.561 45.100 -0.063 0.000 0.633 265 G HN 0.711 nan 8.290 nan 0.000 0.525 266 R N 0.889 121.068 120.500 -0.536 0.000 2.075 266 R HA 0.018 4.243 4.340 -0.192 0.000 0.232 266 R C 2.177 178.306 176.300 -0.285 0.000 1.126 266 R CA 1.911 57.510 56.100 -0.834 0.000 0.963 266 R CB -0.396 28.926 30.300 -1.631 0.000 0.858 266 R HN 0.580 nan 8.270 nan 0.000 0.435 267 E N -0.044 120.030 120.200 -0.210 0.000 2.038 267 E HA -0.224 4.011 4.350 -0.192 0.000 0.195 267 E C 1.819 178.395 176.600 -0.040 0.000 1.000 267 E CA 1.424 57.772 56.400 -0.086 0.000 0.803 267 E CB -0.163 29.500 29.700 -0.060 0.000 0.750 267 E HN 0.498 nan 8.360 nan 0.000 0.448 268 A N 0.772 123.572 122.820 -0.033 0.000 1.908 268 A HA -0.181 4.024 4.320 -0.192 0.000 0.218 268 A C 2.124 179.719 177.584 0.018 0.000 1.181 268 A CA 1.232 53.265 52.037 -0.007 0.000 0.627 268 A CB -0.635 18.367 19.000 0.003 0.000 0.818 268 A HN 0.358 nan 8.150 nan 0.000 0.445 269 L N -0.242 121.013 121.223 0.052 0.000 2.083 269 L HA -0.132 4.093 4.340 -0.192 0.000 0.209 269 L C 2.339 179.354 176.870 0.243 0.000 1.083 269 L CA 2.466 57.403 54.840 0.160 0.000 0.752 269 L CB -0.450 41.722 42.059 0.189 0.000 0.899 269 L HN 0.568 nan 8.230 nan 0.000 0.433 270 E N -1.149 119.169 120.200 0.196 0.000 2.106 270 E HA -0.159 4.076 4.350 -0.192 0.000 0.192 270 E C 2.043 178.609 176.600 -0.056 0.000 0.984 270 E CA 1.547 57.998 56.400 0.085 0.000 0.806 270 E CB -0.202 29.533 29.700 0.059 0.000 0.750 270 E HN 0.296 nan 8.360 nan 0.000 0.458 271 V N 0.556 120.422 119.914 -0.081 0.000 2.358 271 V HA -0.245 3.760 4.120 -0.192 0.000 0.246 271 V C 2.421 178.335 176.094 -0.300 0.000 1.047 271 V CA 2.091 64.255 62.300 -0.226 0.000 1.035 271 V CB -0.597 31.114 31.823 -0.188 0.000 0.658 271 V HN 0.306 nan 8.190 nan 0.000 0.452 272 Q N -0.317 119.422 119.800 -0.101 0.000 2.061 272 Q HA -0.243 3.982 4.340 -0.192 0.000 0.204 272 Q C 2.476 178.479 176.000 0.004 0.000 0.984 272 Q CA 2.073 57.870 55.803 -0.011 0.000 0.846 272 Q CB -0.277 28.498 28.738 0.062 0.000 0.902 272 Q HN 0.527 nan 8.270 nan 0.000 0.421 273 R N 0.493 120.995 120.500 0.003 0.000 2.148 273 R HA -0.148 4.077 4.340 -0.192 0.000 0.227 273 R C 1.407 177.669 176.300 -0.063 0.000 1.103 273 R CA 1.336 57.425 56.100 -0.018 0.000 0.983 273 R CB 0.139 30.389 30.300 -0.084 0.000 0.874 273 R HN 0.279 nan 8.270 nan 0.000 0.451 274 E N -1.117 119.020 120.200 -0.105 0.000 2.170 274 E HA -0.105 4.130 4.350 -0.192 0.000 0.191 274 E C 1.405 178.016 176.600 0.018 0.000 0.981 274 E CA 0.884 57.230 56.400 -0.089 0.000 0.830 274 E CB 0.094 29.709 29.700 -0.141 0.000 0.775 274 E HN 0.614 nan 8.360 nan 0.000 0.470 275 H N -0.331 118.735 119.070 -0.006 0.000 2.547 275 H HA 0.131 4.572 4.556 -0.192 0.000 0.272 275 H C 0.768 176.098 175.328 0.004 0.000 0.989 275 H CA -0.263 55.785 56.048 0.001 0.000 1.214 275 H CB 0.376 30.144 29.762 0.009 0.000 1.389 275 H HN 0.165 nan 8.280 nan 0.000 0.577 276 G N 1.152 110.016 108.800 0.106 0.000 2.785 276 G HA2 -0.206 3.639 3.960 -0.192 0.000 0.685 276 G HA3 -0.206 3.639 3.960 -0.192 0.000 0.685 276 G C -0.058 174.890 174.900 0.080 0.000 1.480 276 G CA -0.134 45.007 45.100 0.068 0.000 0.915 276 G HN 0.494 nan 8.290 nan 0.000 0.576 277 T N -1.689 112.903 114.554 0.063 0.000 2.841 277 T HA 0.744 4.979 4.350 -0.192 0.000 0.296 277 T C 0.136 174.867 174.700 0.053 0.000 1.166 277 T CA -0.163 61.975 62.100 0.064 0.000 1.007 277 T CB 2.048 70.957 68.868 0.069 0.000 1.253 277 T HN 0.875 nan 8.240 nan 0.000 0.511 278 E N 0.772 121.004 120.200 0.054 0.000 2.455 278 E HA 0.305 4.540 4.350 -0.192 0.000 0.259 278 E C -0.090 176.540 176.600 0.050 0.000 1.245 278 E CA -0.325 56.107 56.400 0.053 0.000 1.013 278 E CB 0.349 30.084 29.700 0.058 0.000 0.978 278 E HN 0.720 nan 8.360 nan 0.000 0.479 279 K N -0.264 120.163 120.400 0.046 0.000 2.508 279 K HA 0.514 4.718 4.320 -0.192 0.000 0.260 279 K C -1.597 175.028 176.600 0.041 0.000 0.949 279 K CA -0.916 55.395 56.287 0.041 0.000 0.834 279 K CB 1.086 33.600 32.500 0.025 0.000 1.365 279 K HN 0.266 nan 8.250 nan 0.000 0.437 280 L N 2.836 124.087 121.223 0.046 0.000 2.275 280 L HA 0.489 4.714 4.340 -0.192 0.000 0.288 280 L C -0.720 176.167 176.870 0.029 0.000 1.046 280 L CA -0.254 54.617 54.840 0.051 0.000 0.805 280 L CB 1.532 43.633 42.059 0.070 0.000 1.193 280 L HN 0.646 nan 8.230 nan 0.000 0.426 281 V N 1.803 121.733 119.914 0.028 0.000 3.158 281 V HA 0.982 4.987 4.120 -0.192 0.000 0.315 281 V C 0.168 176.283 176.094 0.035 0.000 1.148 281 V CA -0.361 61.939 62.300 -0.001 0.000 1.042 281 V CB 1.288 33.098 31.823 -0.021 0.000 1.101 281 V HN 0.816 nan 8.190 nan 0.000 0.448 282 G N 0.623 109.422 108.800 -0.002 0.000 2.389 282 G HA2 0.677 4.522 3.960 -0.192 0.000 0.317 282 G HA3 0.677 4.522 3.960 -0.192 0.000 0.317 282 G C -1.047 173.975 174.900 0.204 0.000 1.137 282 G CA -0.806 44.378 45.100 0.140 0.000 0.870 282 G HN 0.825 nan 8.290 nan 0.000 0.496 283 L N 1.051 122.460 121.223 0.310 0.000 2.362 283 L HA 0.611 4.836 4.340 -0.192 0.000 0.271 283 L C -0.668 176.303 176.870 0.168 0.000 1.002 283 L CA -1.168 53.775 54.840 0.172 0.000 0.818 283 L CB 2.459 44.574 42.059 0.092 0.000 1.298 283 L HN 0.174 nan 8.230 nan 0.000 0.420 284 V N 3.174 123.143 119.914 0.092 0.000 2.483 284 V HA 0.390 4.395 4.120 -0.192 0.000 0.297 284 V C -0.263 175.795 176.094 -0.059 0.000 1.027 284 V CA -0.325 61.984 62.300 0.015 0.000 0.855 284 V CB 1.915 33.764 31.823 0.042 0.000 0.995 284 V HN 0.780 nan 8.190 nan 0.000 0.424 285 M N 4.557 124.115 119.600 -0.070 0.000 2.055 285 M HA 0.253 4.618 4.480 -0.192 0.000 0.347 285 M C 1.157 177.359 176.300 -0.164 0.000 1.123 285 M CA -0.322 54.930 55.300 -0.080 0.000 1.035 285 M CB 1.350 33.943 32.600 -0.013 0.000 1.484 285 M HN 0.874 nan 8.290 nan 0.000 0.428 286 T N 0.140 114.492 114.554 -0.336 0.000 3.043 286 T HA 0.058 4.293 4.350 -0.192 0.000 0.263 286 T C 0.690 175.308 174.700 -0.136 0.000 1.094 286 T CA 0.098 61.819 62.100 -0.632 0.000 1.127 286 T CB -0.153 68.210 68.868 -0.841 0.000 0.905 286 T HN 0.718 nan 8.240 nan 0.000 0.490 287 E N 2.037 122.203 120.200 -0.057 0.000 2.392 287 E HA 0.141 4.376 4.350 -0.192 0.000 0.259 287 E C -0.272 176.375 176.600 0.078 0.000 1.108 287 E CA -0.645 55.770 56.400 0.024 0.000 0.916 287 E CB 0.900 30.604 29.700 0.007 0.000 0.989 287 E HN 0.336 nan 8.360 nan 0.000 0.432 288 K N 0.479 120.929 120.400 0.084 0.000 2.484 288 K HA 0.273 4.478 4.320 -0.192 0.000 0.280 288 K C -0.032 176.612 176.600 0.074 0.000 1.013 288 K CA 1.025 57.367 56.287 0.091 0.000 1.029 288 K CB -0.164 32.370 32.500 0.058 0.000 0.902 288 K HN 0.778 nan 8.250 nan 0.000 0.481 289 G N 0.841 109.694 108.800 0.088 0.000 2.351 289 G HA2 0.104 3.949 3.960 -0.192 0.000 0.353 289 G HA3 0.104 3.949 3.960 -0.192 0.000 0.353 289 G C -1.788 173.173 174.900 0.103 0.000 1.358 289 G CA -0.777 44.364 45.100 0.069 0.000 0.995 289 G HN 0.501 nan 8.290 nan 0.000 0.611 290 V N 0.736 120.696 119.914 0.077 0.000 2.577 290 V HA 0.541 4.546 4.120 -0.192 0.000 0.303 290 V C 0.613 176.744 176.094 0.062 0.000 1.042 290 V CA -0.755 61.603 62.300 0.096 0.000 0.872 290 V CB 1.499 33.377 31.823 0.092 0.000 0.998 290 V HN 0.781 nan 8.190 nan 0.000 0.423 291 L N 5.700 126.955 121.223 0.053 0.000 2.453 291 L HA 0.420 4.645 4.340 -0.192 0.000 0.272 291 L C 0.359 177.252 176.870 0.038 0.000 1.182 291 L CA 0.063 54.925 54.840 0.036 0.000 0.858 291 L CB 0.221 42.291 42.059 0.020 0.000 1.120 291 L HN 0.563 nan 8.230 nan 0.000 0.474 292 R N 1.811 122.334 120.500 0.038 0.000 2.854 292 R HA 0.385 4.610 4.340 -0.192 0.000 0.271 292 R C -0.694 175.631 176.300 0.042 0.000 0.996 292 R CA -1.344 54.781 56.100 0.041 0.000 0.961 292 R CB 0.779 31.102 30.300 0.039 0.000 1.182 292 R HN 0.448 nan 8.270 nan 0.000 0.479 293 N N 1.919 120.647 118.700 0.046 0.000 2.353 293 N HA -0.062 4.563 4.740 -0.192 0.000 0.248 293 N C 0.095 175.630 175.510 0.042 0.000 1.240 293 N CA 0.607 53.686 53.050 0.048 0.000 0.862 293 N CB 0.166 38.686 38.487 0.055 0.000 1.086 293 N HN 0.572 nan 8.380 nan 0.000 0.453 294 E N -2.006 118.219 120.200 0.042 0.000 3.628 294 E HA -0.228 4.007 4.350 -0.192 0.000 0.309 294 E C -0.739 175.882 176.600 0.036 0.000 0.839 294 E CA 0.298 56.720 56.400 0.037 0.000 1.123 294 E CB -0.953 28.767 29.700 0.033 0.000 1.568 294 E HN 0.266 nan 8.360 nan 0.000 0.440 295 L N 1.371 122.617 121.223 0.038 0.000 2.426 295 L HA 0.223 4.448 4.340 -0.192 0.000 0.271 295 L C -1.669 175.227 176.870 0.042 0.000 1.169 295 L CA -1.556 53.306 54.840 0.037 0.000 0.836 295 L CB -0.402 41.679 42.059 0.038 0.000 1.112 295 L HN -0.136 nan 8.230 nan 0.000 0.465 296 P HA 0.105 nan 4.420 nan 0.000 0.271 296 P C -0.969 176.366 177.300 0.058 0.000 1.218 296 P CA -0.140 62.987 63.100 0.045 0.000 0.780 296 P CB 0.827 32.547 31.700 0.032 0.000 0.901 297 V N 4.840 124.801 119.914 0.079 0.000 2.407 297 V HA 0.414 4.419 4.120 -0.192 0.000 0.291 297 V C 0.461 176.643 176.094 0.147 0.000 1.018 297 V CA -0.484 61.881 62.300 0.109 0.000 0.842 297 V CB 1.192 33.088 31.823 0.122 0.000 0.996 297 V HN 0.486 nan 8.190 nan 0.000 0.426 298 R N 4.249 124.834 120.500 0.142 0.000 2.740 298 R HA 0.846 5.071 4.340 -0.192 0.000 0.282 298 R C -1.213 175.225 176.300 0.230 0.000 0.969 298 R CA -0.528 55.642 56.100 0.117 0.000 0.918 298 R CB 2.480 32.799 30.300 0.032 0.000 1.175 298 R HN 0.707 nan 8.270 nan 0.000 0.464 299 F N -2.138 117.851 119.950 0.065 0.000 2.645 299 F HA 0.585 4.997 4.527 -0.192 0.000 0.310 299 F C -1.046 174.807 175.800 0.088 0.000 1.102 299 F CA -0.951 57.091 58.000 0.070 0.000 0.952 299 F CB 1.840 40.883 39.000 0.072 0.000 1.326 299 F HN 0.168 nan 8.300 nan 0.000 0.456 300 T N 2.251 116.908 114.554 0.173 0.000 2.770 300 T HA 0.358 4.593 4.350 -0.192 0.000 0.283 300 T C -0.699 174.128 174.700 0.211 0.000 0.988 300 T CA -0.519 61.615 62.100 0.057 0.000 0.957 300 T CB 0.841 69.729 68.868 0.033 0.000 0.930 300 T HN 0.772 nan 8.240 nan 0.000 0.443 301 D N 2.426 122.956 120.400 0.217 0.000 2.414 301 D HA 0.300 4.825 4.640 -0.192 0.000 0.259 301 D C 1.640 178.040 176.300 0.167 0.000 1.269 301 D CA -0.490 53.689 54.000 0.299 0.000 1.028 301 D CB 0.197 41.225 40.800 0.380 0.000 1.093 301 D HN 0.402 nan 8.370 nan 0.000 0.545 302 A N -0.687 122.218 122.820 0.141 0.000 2.093 302 A HA -0.265 3.940 4.320 -0.192 0.000 0.222 302 A C 1.853 179.475 177.584 0.065 0.000 1.162 302 A CA 1.902 53.991 52.037 0.085 0.000 0.655 302 A CB -0.659 18.381 19.000 0.067 0.000 0.805 302 A HN 0.493 nan 8.150 nan 0.000 0.461 303 Q N -2.857 116.985 119.800 0.069 0.000 2.217 303 Q HA 0.370 4.595 4.340 -0.192 0.000 0.217 303 Q C 1.078 177.092 176.000 0.023 0.000 0.844 303 Q CA 0.845 56.674 55.803 0.043 0.000 0.957 303 Q CB 0.835 29.601 28.738 0.047 0.000 1.127 303 Q HN 0.940 nan 8.270 nan 0.000 0.503 304 G N 0.194 109.008 108.800 0.022 0.000 2.176 304 G HA2 -0.207 3.638 3.960 -0.192 0.000 0.232 304 G HA3 -0.207 3.638 3.960 -0.192 0.000 0.232 304 G C -0.206 174.665 174.900 -0.047 0.000 0.986 304 G CA -0.319 44.777 45.100 -0.006 0.000 0.643 304 G HN 0.225 nan 8.290 nan 0.000 0.522 305 N N 1.352 120.016 118.700 -0.061 0.000 2.472 305 N HA 0.362 4.987 4.740 -0.192 0.000 0.277 305 N C 0.035 175.302 175.510 -0.405 0.000 1.081 305 N CA -0.035 52.899 53.050 -0.193 0.000 0.973 305 N CB 1.060 39.453 38.487 -0.155 0.000 1.105 305 N HN 0.318 nan 8.380 nan 0.000 0.470 306 Q N 1.651 121.170 119.800 -0.468 0.000 2.293 306 Q HA 0.225 4.450 4.340 -0.192 0.000 0.251 306 Q C -0.526 174.932 176.000 -0.903 0.000 0.930 306 Q CA 0.032 55.525 55.803 -0.516 0.000 0.893 306 Q CB 0.922 29.486 28.738 -0.290 0.000 1.215 306 Q HN 0.576 nan 8.270 nan 0.000 0.425 307 H N 0.833 119.561 119.070 -0.571 0.000 2.821 307 H HA 0.415 4.856 4.556 -0.192 0.000 0.373 307 H C -0.967 174.110 175.328 -0.420 0.000 1.165 307 H CA -0.611 55.098 56.048 -0.565 0.000 1.154 307 H CB 2.168 31.429 29.762 -0.836 0.000 1.765 307 H HN 0.588 nan 8.280 nan 0.000 0.549 308 E N 0.793 120.961 120.200 -0.053 0.000 2.256 308 E HA 0.523 4.758 4.350 -0.192 0.000 0.268 308 E C -0.866 175.791 176.600 0.095 0.000 0.877 308 E CA -0.785 55.628 56.400 0.021 0.000 0.757 308 E CB 2.071 31.769 29.700 -0.003 0.000 1.183 308 E HN 0.814 nan 8.360 nan 0.000 0.418 309 G N 3.166 112.046 108.800 0.133 0.000 3.209 309 G HA2 0.704 4.549 3.960 -0.192 0.000 0.236 309 G HA3 0.704 4.549 3.960 -0.192 0.000 0.236 309 G C -1.221 173.733 174.900 0.090 0.000 1.329 309 G CA -0.670 44.503 45.100 0.122 0.000 1.015 309 G HN 0.563 nan 8.290 nan 0.000 0.571 310 I N -0.612 120.006 120.570 0.080 0.000 2.752 310 I HA 0.432 4.487 4.170 -0.192 0.000 0.295 310 I C -0.877 175.278 176.117 0.064 0.000 1.219 310 I CA -1.122 60.217 61.300 0.064 0.000 1.030 310 I CB 2.186 40.216 38.000 0.050 0.000 1.259 310 I HN 0.346 nan 8.210 nan 0.000 0.423 311 I N 5.961 126.567 120.570 0.059 0.000 2.533 311 I HA 0.055 4.110 4.170 -0.192 0.000 0.284 311 I C 1.368 177.518 176.117 0.055 0.000 1.109 311 I CA 0.233 61.568 61.300 0.059 0.000 1.412 311 I CB 1.353 39.385 38.000 0.053 0.000 1.396 311 I HN 0.733 nan 8.210 nan 0.000 0.543 312 T N 0.717 115.307 114.554 0.061 0.000 2.939 312 T HA 0.086 4.321 4.350 -0.192 0.000 0.254 312 T C 0.722 175.460 174.700 0.064 0.000 1.041 312 T CA 0.118 62.252 62.100 0.057 0.000 1.142 312 T CB 0.227 69.129 68.868 0.057 0.000 0.874 312 T HN 0.467 nan 8.240 nan 0.000 0.452 313 S N 0.051 115.792 115.700 0.070 0.000 2.575 313 S HA 0.693 5.048 4.470 -0.192 0.000 0.278 313 S C -0.303 174.324 174.600 0.046 0.000 1.139 313 S CA -0.870 57.370 58.200 0.066 0.000 0.954 313 S CB 1.941 65.188 63.200 0.078 0.000 1.054 313 S HN 0.765 nan 8.310 nan 0.000 0.483 314 G N 0.580 109.402 108.800 0.037 0.000 2.481 314 G HA2 0.797 4.642 3.960 -0.192 0.000 0.315 314 G HA3 0.797 4.642 3.960 -0.192 0.000 0.315 314 G C -0.827 174.081 174.900 0.013 0.000 1.231 314 G CA -0.550 44.557 45.100 0.011 0.000 0.968 314 G HN 0.671 nan 8.290 nan 0.000 0.482 315 T N -0.884 113.662 114.554 -0.014 0.000 2.661 315 T HA 0.514 4.749 4.350 -0.192 0.000 0.305 315 T C -2.027 172.694 174.700 0.035 0.000 1.441 315 T CA -0.527 61.586 62.100 0.022 0.000 0.999 315 T CB 1.084 69.955 68.868 0.004 0.000 1.650 315 T HN 0.567 nan 8.240 nan 0.000 0.489 316 F N 2.386 122.295 119.950 -0.068 0.000 2.415 316 F HA 0.665 5.077 4.527 -0.191 0.000 0.348 316 F C 0.280 176.006 175.800 -0.123 0.000 1.119 316 F CA -0.490 57.462 58.000 -0.081 0.000 1.069 316 F CB 1.327 40.286 39.000 -0.067 0.000 1.124 316 F HN 0.353 nan 8.300 nan 0.000 0.472 317 S N 8.093 123.267 115.700 -0.878 0.000 2.416 317 S HA 0.348 4.703 4.470 -0.192 0.000 0.287 317 S C -1.879 172.182 174.600 -0.898 0.000 1.139 317 S CA -1.397 56.394 58.200 -0.681 0.000 1.058 317 S CB 0.867 63.777 63.200 -0.483 0.000 0.967 317 S HN 0.542 nan 8.310 nan 0.000 0.495 318 P HA 0.003 nan 4.420 nan 0.000 0.221 318 P C 1.259 178.418 177.300 -0.234 0.000 1.150 318 P CA 0.861 63.749 63.100 -0.354 0.000 0.800 318 P CB 0.064 31.505 31.700 -0.431 0.000 0.787 319 T N -0.451 114.006 114.554 -0.160 0.000 2.812 319 T HA -0.048 4.186 4.350 -0.192 0.000 0.264 319 T C 1.555 176.199 174.700 -0.093 0.000 1.042 319 T CA 1.059 63.159 62.100 0.001 0.000 1.140 319 T CB -0.680 68.273 68.868 0.142 0.000 0.870 319 T HN -0.037 nan 8.240 nan 0.000 0.445 320 L N 0.412 121.533 121.223 -0.170 0.000 2.179 320 L HA 0.274 4.499 4.340 -0.192 0.000 0.208 320 L C 2.104 178.718 176.870 -0.427 0.000 1.096 320 L CA 1.410 56.135 54.840 -0.192 0.000 0.779 320 L CB -0.942 41.069 42.059 -0.080 0.000 0.922 320 L HN 0.514 nan 8.230 nan 0.000 0.443 321 G N -2.478 106.000 108.800 -0.536 0.000 2.143 321 G HA2 -0.303 3.542 3.960 -0.192 0.000 0.248 321 G HA3 -0.303 3.542 3.960 -0.192 0.000 0.248 321 G C -0.138 174.378 174.900 -0.640 0.000 0.991 321 G CA 0.188 44.970 45.100 -0.530 0.000 0.689 321 G HN 0.220 nan 8.290 nan 0.000 0.522 322 Y N -0.492 119.535 120.300 -0.455 0.000 2.581 322 Y HA 0.753 5.187 4.550 -0.194 0.000 0.345 322 Y C 0.478 176.134 175.900 -0.406 0.000 1.036 322 Y CA -1.129 56.827 58.100 -0.240 0.000 1.042 322 Y CB 1.451 39.828 38.460 -0.138 0.000 1.289 322 Y HN 0.201 nan 8.280 nan 0.000 0.471 323 S N 2.420 118.156 115.700 0.060 0.000 2.576 323 S HA 0.707 5.062 4.470 -0.192 0.000 0.276 323 S C -0.495 174.023 174.600 -0.136 0.000 1.339 323 S CA -0.361 57.822 58.200 -0.028 0.000 1.039 323 S CB -0.337 62.916 63.200 0.089 0.000 0.902 323 S HN 0.540 nan 8.310 nan 0.000 0.516 324 I N 0.472 120.886 120.570 -0.261 0.000 3.042 324 I HA 0.985 5.040 4.170 -0.192 0.000 0.310 324 I C -0.691 175.238 176.117 -0.315 0.000 1.117 324 I CA -1.333 59.692 61.300 -0.459 0.000 1.003 324 I CB 1.903 39.209 38.000 -1.157 0.000 1.228 324 I HN 0.731 nan 8.210 nan 0.000 0.443 325 A N 3.604 126.292 122.820 -0.220 0.000 2.612 325 A HA 0.786 4.991 4.320 -0.192 0.000 0.293 325 A C -1.590 176.088 177.584 0.157 0.000 1.075 325 A CA -0.660 51.360 52.037 -0.029 0.000 0.680 325 A CB 1.679 20.689 19.000 0.018 0.000 1.279 325 A HN 0.742 nan 8.150 nan 0.000 0.411 326 L N 0.622 121.935 121.223 0.150 0.000 2.334 326 L HA 0.840 5.065 4.340 -0.192 0.000 0.275 326 L C 0.333 177.272 176.870 0.116 0.000 1.036 326 L CA -0.478 54.470 54.840 0.180 0.000 0.807 326 L CB 1.919 44.077 42.059 0.166 0.000 1.231 326 L HN 1.016 nan 8.230 nan 0.000 0.438 327 A N 2.611 125.492 122.820 0.101 0.000 2.547 327 A HA 0.613 4.818 4.320 -0.192 0.000 0.297 327 A C -1.215 176.412 177.584 0.072 0.000 1.056 327 A CA -0.667 51.419 52.037 0.082 0.000 0.688 327 A CB 1.772 20.821 19.000 0.082 0.000 1.282 327 A HN 0.734 nan 8.150 nan 0.000 0.400 328 R N 1.222 121.763 120.500 0.069 0.000 2.265 328 R HA 0.671 4.896 4.340 -0.192 0.000 0.319 328 R C -0.887 175.460 176.300 0.079 0.000 1.006 328 R CA -0.231 55.908 56.100 0.065 0.000 0.880 328 R CB 1.002 31.335 30.300 0.055 0.000 1.077 328 R HN 1.124 nan 8.270 nan 0.000 0.454 329 V N 1.579 121.541 119.914 0.081 0.000 3.049 329 V HA 0.619 4.623 4.120 -0.192 0.000 0.309 329 V C -2.771 173.396 176.094 0.121 0.000 1.148 329 V CA -2.976 59.398 62.300 0.123 0.000 0.990 329 V CB 1.821 33.714 31.823 0.117 0.000 1.039 329 V HN 0.686 nan 8.190 nan 0.000 0.430 330 P HA 0.093 nan 4.420 nan 0.000 0.265 330 P C -0.136 177.223 177.300 0.099 0.000 1.187 330 P CA 0.393 63.581 63.100 0.146 0.000 0.766 330 P CB 0.275 32.091 31.700 0.194 0.000 0.820 331 E N 1.653 121.878 120.200 0.041 0.000 2.467 331 E HA 0.099 4.334 4.350 -0.192 0.000 0.264 331 E C 1.599 178.196 176.600 -0.004 0.000 1.020 331 E CA 1.702 58.103 56.400 0.002 0.000 0.945 331 E CB -0.120 29.582 29.700 0.003 0.000 0.942 331 E HN 0.788 nan 8.360 nan 0.000 0.449 332 G N 2.602 111.372 108.800 -0.050 0.000 2.213 332 G HA2 -0.279 3.566 3.960 -0.192 0.000 0.226 332 G HA3 -0.279 3.566 3.960 -0.192 0.000 0.226 332 G C 0.505 175.296 174.900 -0.183 0.000 0.992 332 G CA 0.024 45.100 45.100 -0.040 0.000 0.632 332 G HN 0.534 nan 8.290 nan 0.000 0.511 333 I N 2.001 122.260 120.570 -0.518 0.000 2.813 333 I HA 0.484 4.538 4.170 -0.192 0.000 0.287 333 I C 1.367 177.151 176.117 -0.555 0.000 1.196 333 I CA 0.896 61.467 61.300 -1.215 0.000 1.421 333 I CB 0.698 38.070 38.000 -1.047 0.000 1.365 333 I HN 0.226 nan 8.210 nan 0.000 0.591 334 G N 4.378 112.905 108.800 -0.454 0.000 3.022 334 G HA2 0.196 4.041 3.960 -0.192 0.000 0.157 334 G HA3 0.196 4.041 3.960 -0.192 0.000 0.157 334 G C 0.341 175.140 174.900 -0.168 0.000 1.468 334 G CA -0.125 44.856 45.100 -0.200 0.000 1.058 334 G HN 0.717 nan 8.290 nan 0.000 0.581 335 E N -0.591 119.552 120.200 -0.096 0.000 2.442 335 E HA 0.149 4.384 4.350 -0.192 0.000 0.195 335 E C 0.517 177.082 176.600 -0.057 0.000 1.030 335 E CA 0.654 57.011 56.400 -0.072 0.000 0.869 335 E CB 0.390 30.061 29.700 -0.048 0.000 0.857 335 E HN 0.449 nan 8.360 nan 0.000 0.505 336 T N -2.375 112.150 114.554 -0.049 0.000 2.883 336 T HA 0.801 5.036 4.350 -0.192 0.000 0.301 336 T C -0.645 174.062 174.700 0.011 0.000 1.158 336 T CA -0.737 61.353 62.100 -0.017 0.000 1.007 336 T CB 2.258 71.127 68.868 0.001 0.000 1.186 336 T HN -0.000 nan 8.240 nan 0.000 0.499 337 A N 1.138 123.982 122.820 0.041 0.000 2.533 337 A HA 0.873 5.078 4.320 -0.192 0.000 0.293 337 A C -1.683 175.950 177.584 0.082 0.000 1.228 337 A CA -0.979 51.119 52.037 0.101 0.000 0.689 337 A CB 1.253 20.319 19.000 0.110 0.000 1.303 337 A HN 0.843 nan 8.150 nan 0.000 0.444 338 I N 0.453 121.082 120.570 0.097 0.000 2.647 338 I HA 0.553 4.608 4.170 -0.192 0.000 0.295 338 I C -1.077 175.078 176.117 0.064 0.000 1.078 338 I CA -0.597 60.742 61.300 0.066 0.000 1.048 338 I CB 1.590 39.625 38.000 0.057 0.000 1.239 338 I HN 0.323 nan 8.210 nan 0.000 0.421 339 V N 4.912 124.854 119.914 0.047 0.000 2.588 339 V HA 0.312 4.317 4.120 -0.192 0.000 0.304 339 V C -0.048 176.067 176.094 0.035 0.000 1.042 339 V CA -0.712 61.615 62.300 0.045 0.000 0.877 339 V CB 2.135 33.984 31.823 0.043 0.000 0.996 339 V HN 0.727 nan 8.190 nan 0.000 0.425 340 Q N 4.461 124.281 119.800 0.032 0.000 2.337 340 Q HA 0.482 4.707 4.340 -0.192 0.000 0.255 340 Q C -1.077 174.937 176.000 0.025 0.000 0.997 340 Q CA -0.162 55.656 55.803 0.025 0.000 0.925 340 Q CB 0.658 29.409 28.738 0.022 0.000 1.212 340 Q HN 0.697 nan 8.270 nan 0.000 0.436 341 I N 6.730 127.314 120.570 0.023 0.000 2.371 341 I HA 0.222 4.277 4.170 -0.192 0.000 0.282 341 I C -0.152 175.976 176.117 0.018 0.000 1.031 341 I CA -0.665 60.649 61.300 0.023 0.000 1.180 341 I CB 0.785 38.800 38.000 0.025 0.000 1.336 341 I HN 0.739 nan 8.210 nan 0.000 0.467 342 R N 6.219 126.730 120.500 0.017 0.000 2.974 342 R HA -0.256 3.969 4.340 -0.192 0.000 0.258 342 R C -0.421 175.886 176.300 0.012 0.000 0.892 342 R CA 0.939 57.047 56.100 0.014 0.000 0.664 342 R CB -2.120 28.188 30.300 0.013 0.000 1.478 342 R HN 0.975 nan 8.270 nan 0.000 0.498 343 N N -1.711 116.996 118.700 0.011 0.000 2.909 343 N HA -0.237 4.388 4.740 -0.192 0.000 0.242 343 N C -0.196 175.320 175.510 0.010 0.000 0.975 343 N CA 2.091 55.147 53.050 0.009 0.000 0.921 343 N CB -0.942 37.550 38.487 0.008 0.000 1.112 343 N HN 0.948 nan 8.380 nan 0.000 0.581 344 R N -0.245 120.262 120.500 0.012 0.000 2.673 344 R HA 0.549 4.774 4.340 -0.192 0.000 0.281 344 R C -1.182 175.127 176.300 0.015 0.000 0.991 344 R CA -0.866 55.241 56.100 0.012 0.000 0.896 344 R CB 1.679 31.986 30.300 0.012 0.000 1.201 344 R HN -0.248 nan 8.270 nan 0.000 0.457 345 E N 4.634 124.842 120.200 0.014 0.000 2.035 345 E HA 0.224 4.459 4.350 -0.192 0.000 0.271 345 E C -0.336 176.275 176.600 0.019 0.000 0.953 345 E CA -0.542 55.868 56.400 0.018 0.000 0.777 345 E CB 1.145 30.855 29.700 0.017 0.000 1.104 345 E HN 0.467 nan 8.360 nan 0.000 0.408 346 M N 4.662 124.274 119.600 0.021 0.000 2.144 346 M HA 0.309 4.674 4.480 -0.192 0.000 0.356 346 M C -2.198 174.113 176.300 0.018 0.000 1.217 346 M CA -2.722 52.588 55.300 0.018 0.000 1.087 346 M CB 0.677 33.288 32.600 0.020 0.000 1.609 346 M HN -0.008 nan 8.290 nan 0.000 0.467 347 P HA 0.348 nan 4.420 nan 0.000 0.274 347 P C -0.841 176.459 177.300 -0.001 0.000 1.231 347 P CA -0.317 62.789 63.100 0.010 0.000 0.790 347 P CB 0.925 32.626 31.700 0.002 0.000 0.951 348 V N -1.099 118.817 119.914 0.003 0.000 3.007 348 V HA 0.573 4.578 4.120 -0.192 0.000 0.311 348 V C -0.497 175.589 176.094 -0.012 0.000 1.120 348 V CA -1.268 61.027 62.300 -0.008 0.000 0.980 348 V CB 2.114 33.944 31.823 0.012 0.000 1.033 348 V HN 0.299 nan 8.190 nan 0.000 0.429 349 K N 1.740 122.125 120.400 -0.025 0.000 2.174 349 K HA 0.711 4.916 4.320 -0.192 0.000 0.275 349 K C -0.954 175.644 176.600 -0.002 0.000 1.015 349 K CA -0.607 55.666 56.287 -0.023 0.000 0.933 349 K CB 1.969 34.449 32.500 -0.034 0.000 1.025 349 K HN 0.604 nan 8.250 nan 0.000 0.463 350 V N 2.781 122.682 119.914 -0.022 0.000 2.394 350 V HA 0.297 4.302 4.120 -0.192 0.000 0.282 350 V C 0.327 176.398 176.094 -0.039 0.000 1.031 350 V CA -0.443 61.839 62.300 -0.029 0.000 0.881 350 V CB 1.130 32.906 31.823 -0.079 0.000 0.982 350 V HN 1.047 nan 8.190 nan 0.000 0.451 351 T N 1.896 116.428 114.554 -0.037 0.000 2.804 351 T HA 0.561 4.796 4.350 -0.192 0.000 0.290 351 T C -0.398 174.220 174.700 -0.136 0.000 1.099 351 T CA -1.084 60.966 62.100 -0.084 0.000 1.011 351 T CB 1.540 70.357 68.868 -0.085 0.000 1.291 351 T HN 0.414 nan 8.240 nan 0.000 0.523 352 K N 1.725 122.016 120.400 -0.181 0.000 2.336 352 K HA 0.245 4.450 4.320 -0.192 0.000 0.262 352 K C -2.027 174.372 176.600 -0.334 0.000 0.992 352 K CA -1.642 54.520 56.287 -0.207 0.000 0.927 352 K CB 0.200 32.580 32.500 -0.200 0.000 0.956 352 K HN 0.450 nan 8.250 nan 0.000 0.495 353 P HA 0.045 nan 4.420 nan 0.000 0.220 353 P C -0.957 176.092 177.300 -0.418 0.000 1.778 353 P CA 0.228 63.154 63.100 -0.289 0.000 0.912 353 P CB 0.086 31.735 31.700 -0.086 0.000 1.861 354 V N 0.473 119.937 119.914 -0.749 0.000 3.077 354 V HA 0.424 4.429 4.120 -0.192 0.000 0.299 354 V C -0.726 174.873 176.094 -0.826 0.000 1.276 354 V CA -0.542 61.399 62.300 -0.598 0.000 0.993 354 V CB 1.833 33.476 31.823 -0.300 0.000 1.076 354 V HN -0.038 nan 8.190 nan 0.000 0.434 355 F N 3.704 123.627 119.950 -0.044 0.000 2.784 355 F HA 0.532 4.938 4.527 -0.202 0.000 0.316 355 F C 0.263 176.045 175.800 -0.030 0.000 1.026 355 F CA -0.037 57.943 58.000 -0.032 0.000 1.188 355 F CB 1.044 40.028 39.000 -0.026 0.000 0.999 355 F HN 0.283 nan 8.300 nan 0.000 0.605 356 V N 1.517 121.499 119.914 0.113 0.000 2.686 356 V HA 0.526 4.531 4.120 -0.192 0.000 0.306 356 V C -0.709 175.384 176.094 -0.002 0.000 1.065 356 V CA -0.901 61.431 62.300 0.055 0.000 0.894 356 V CB 2.346 34.210 31.823 0.068 0.000 1.004 356 V HN 0.035 nan 8.190 nan 0.000 0.424 357 R N 3.084 123.572 120.500 -0.020 0.000 2.502 357 R HA 0.474 4.699 4.340 -0.192 0.000 0.300 357 R C -0.260 176.022 176.300 -0.030 0.000 0.984 357 R CA -0.759 55.318 56.100 -0.038 0.000 0.882 357 R CB 1.400 31.665 30.300 -0.058 0.000 1.180 357 R HN 0.932 nan 8.270 nan 0.000 0.444 358 N N 1.419 120.100 118.700 -0.032 0.000 2.746 358 N HA -0.222 4.403 4.740 -0.192 0.000 0.250 358 N C 0.667 176.160 175.510 -0.029 0.000 1.055 358 N CA 0.424 53.456 53.050 -0.031 0.000 0.699 358 N CB -0.652 37.818 38.487 -0.029 0.000 0.919 358 N HN 1.126 nan 8.380 nan 0.000 0.548 359 G N -0.685 108.097 108.800 -0.030 0.000 2.205 359 G HA2 -0.417 3.428 3.960 -0.192 0.000 0.269 359 G HA3 -0.417 3.428 3.960 -0.192 0.000 0.269 359 G C 0.143 175.037 174.900 -0.010 0.000 0.977 359 G CA 1.216 46.300 45.100 -0.027 0.000 0.652 359 G HN 0.553 nan 8.290 nan 0.000 0.539 360 K N 0.608 121.003 120.400 -0.008 0.000 2.182 360 K HA 0.695 4.900 4.320 -0.192 0.000 0.262 360 K C 0.727 177.333 176.600 0.010 0.000 0.957 360 K CA -0.221 56.066 56.287 -0.001 0.000 0.842 360 K CB 1.199 33.694 32.500 -0.007 0.000 1.099 360 K HN 0.530 nan 8.250 nan 0.000 0.438 361 A N 2.515 125.348 122.820 0.022 0.000 2.580 361 A HA 0.068 4.273 4.320 -0.192 0.000 0.244 361 A C 0.039 177.636 177.584 0.023 0.000 1.045 361 A CA -0.143 51.918 52.037 0.041 0.000 0.761 361 A CB -0.450 18.580 19.000 0.050 0.000 0.962 361 A HN 0.517 nan 8.150 nan 0.000 0.512 362 V N 1.159 121.083 119.914 0.017 0.000 2.318 362 V HA 0.748 4.753 4.120 -0.192 0.000 0.271 362 V C 0.380 176.466 176.094 -0.013 0.000 1.030 362 V CA -0.085 62.204 62.300 -0.018 0.000 0.844 362 V CB -0.013 31.774 31.823 -0.060 0.000 1.015 362 V HN 1.369 nan 8.190 nan 0.000 0.460 363 A N 0.000 122.816 122.820 -0.006 0.000 2.254 363 A HA 0.000 4.205 4.320 -0.192 0.000 0.244 363 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 363 A CB 0.000 19.011 19.000 0.019 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486