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 2iaa_1_D DATA FIRST_RESID 29 DATA SEQUENCE PREVLTGGHS VSAPQENRIY VMDSVFMHLT ESRVHVYDYT NGKFLGMVPT DATA SEQUENCE AFNGHVQVSN DGKKIYTMTT YHERITRGKR SDVVEVWDAD KLTFEKEISL DATA SEQUENCE PPKRVQGLNY DGLFRQTTDG KFIVLQNASP ATSIGIVDVA KGDYVEDVTA DATA SEQUENCE AAGcWSVIPQ PNRPRSFMTI cGDGGLLTIN LGEDGKVASQ SRSKQMFSVK DATA SEQUENCE DDPIFIAPAL DKDKAHFVSY YGNVYSADFS GDEVKVDGPW SLLNDEDKAK DATA SEQUENCE NWVPGGYNLV GLHRASGRMY VFMHPDGKEG THKFPAAEIW VMDTKTKQRV DATA SEQUENCE ARIPGRDALS MTIDQQRNLM LTLDGGNVNV YDISQPEPKL LRTIEGAAEA DATA SEQUENCE SLQVQFHPV 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.303 177.300 0.006 0.000 1.155 29 P CA 0.000 63.104 63.100 0.006 0.000 0.800 29 P CB 0.000 31.704 31.700 0.006 0.000 0.726 30 R N 0.505 121.009 120.500 0.006 0.000 2.725 30 R HA 0.212 4.552 4.340 -0.000 0.000 0.207 30 R C -0.272 176.032 176.300 0.006 0.000 0.924 30 R CA 0.240 56.343 56.100 0.005 0.000 1.098 30 R CB 1.034 31.336 30.300 0.003 0.000 1.602 30 R HN 0.412 nan 8.270 nan 0.000 0.615 31 E N 0.318 120.523 120.200 0.007 0.000 2.340 31 E HA 0.420 4.770 4.350 -0.000 0.000 0.273 31 E C -1.623 174.985 176.600 0.013 0.000 0.891 31 E CA -0.915 55.490 56.400 0.009 0.000 0.757 31 E CB 3.346 33.050 29.700 0.006 0.000 1.231 31 E HN -0.167 nan 8.360 nan 0.000 0.439 32 V N 2.231 122.156 119.914 0.019 0.000 2.709 32 V HA 0.268 4.388 4.120 -0.000 0.000 0.308 32 V C -0.758 175.357 176.094 0.036 0.000 1.062 32 V CA -0.916 61.399 62.300 0.025 0.000 0.901 32 V CB 1.926 33.764 31.823 0.025 0.000 1.003 32 V HN 0.528 nan 8.190 nan 0.000 0.425 33 L N 4.874 126.120 121.223 0.037 0.000 2.367 33 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 33 L C 0.386 177.299 176.870 0.073 0.000 1.129 33 L CA 0.988 55.859 54.840 0.052 0.000 0.839 33 L CB 1.178 43.262 42.059 0.042 0.000 1.133 33 L HN 0.989 nan 8.230 nan 0.000 0.453 34 T N 1.664 116.295 114.554 0.129 0.000 2.906 34 T HA 0.916 5.266 4.350 -0.000 0.000 0.295 34 T C -0.148 174.677 174.700 0.209 0.000 1.061 34 T CA -0.240 61.951 62.100 0.151 0.000 1.000 34 T CB 1.576 70.555 68.868 0.185 0.000 1.103 34 T HN 0.830 nan 8.240 nan 0.000 0.486 35 G N -1.168 107.649 108.800 0.028 0.000 3.211 35 G HA2 0.632 4.592 3.960 -0.000 0.000 0.262 35 G HA3 0.632 4.592 3.960 -0.000 0.000 0.262 35 G C 0.717 175.459 174.900 -0.264 0.000 1.352 35 G CA -0.537 44.568 45.100 0.009 0.000 1.004 35 G HN 1.985 nan 8.290 nan 0.000 0.559 36 G N -1.128 107.596 108.800 -0.127 0.000 2.160 36 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.251 36 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.251 36 G C 0.304 175.082 174.900 -0.204 0.000 1.008 36 G CA 0.514 45.526 45.100 -0.147 0.000 0.724 36 G HN 0.789 nan 8.290 nan 0.000 0.514 37 H N 0.157 119.247 119.070 0.034 0.000 2.505 37 H HA 0.564 5.120 4.556 -0.000 0.000 0.355 37 H C 0.440 175.787 175.328 0.031 0.000 1.179 37 H CA 0.457 56.521 56.048 0.027 0.000 1.343 37 H CB 1.485 31.260 29.762 0.022 0.000 1.501 37 H HN 0.212 nan 8.280 nan 0.000 0.569 38 S N 0.430 116.220 115.700 0.150 0.000 2.687 38 S HA 0.195 4.665 4.470 -0.000 0.000 0.283 38 S C 0.155 174.796 174.600 0.068 0.000 1.170 38 S CA -0.891 57.363 58.200 0.090 0.000 1.008 38 S CB 1.565 64.801 63.200 0.061 0.000 1.026 38 S HN 0.297 nan 8.310 nan 0.000 0.541 39 V N 3.120 123.057 119.914 0.039 0.000 2.617 39 V HA -0.030 4.090 4.120 -0.000 0.000 0.304 39 V C 1.656 177.740 176.094 -0.016 0.000 1.040 39 V CA 0.710 63.008 62.300 -0.004 0.000 1.149 39 V CB 0.724 32.533 31.823 -0.023 0.000 0.914 39 V HN 1.131 nan 8.190 nan 0.000 0.487 40 S N 3.480 119.160 115.700 -0.034 0.000 2.423 40 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 40 S C 0.862 175.434 174.600 -0.046 0.000 1.014 40 S CA 0.486 58.664 58.200 -0.036 0.000 0.965 40 S CB -0.035 63.138 63.200 -0.045 0.000 0.785 40 S HN 1.093 nan 8.310 nan 0.000 0.495 41 A N 3.013 125.795 122.820 -0.063 0.000 2.303 41 A HA 0.709 5.029 4.320 -0.000 0.000 0.317 41 A C -2.407 175.134 177.584 -0.071 0.000 1.149 41 A CA -2.251 49.743 52.037 -0.071 0.000 0.822 41 A CB 0.392 19.337 19.000 -0.091 0.000 1.131 41 A HN 0.327 nan 8.150 nan 0.000 0.493 42 P HA 0.031 nan 4.420 nan 0.000 0.269 42 P C 0.162 177.404 177.300 -0.096 0.000 1.215 42 P CA 0.115 63.175 63.100 -0.066 0.000 0.780 42 P CB 0.622 32.294 31.700 -0.047 0.000 0.898 43 Q N 0.863 120.575 119.800 -0.147 0.000 2.152 43 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 43 Q C 1.803 177.714 176.000 -0.148 0.000 0.985 43 Q CA 1.647 57.258 55.803 -0.321 0.000 0.863 43 Q CB -0.112 28.321 28.738 -0.508 0.000 0.904 43 Q HN 0.625 nan 8.270 nan 0.000 0.422 44 E N 0.140 120.334 120.200 -0.010 0.000 2.478 44 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 44 E C 0.543 177.276 176.600 0.222 0.000 1.046 44 E CA 0.774 57.252 56.400 0.129 0.000 0.870 44 E CB -0.026 29.735 29.700 0.101 0.000 0.818 44 E HN 0.292 nan 8.360 nan 0.000 0.527 45 N N 0.547 119.293 118.700 0.077 0.000 2.325 45 N HA 0.070 4.810 4.740 -0.000 0.000 0.182 45 N C -0.073 175.501 175.510 0.106 0.000 1.088 45 N CA 0.032 53.042 53.050 -0.066 0.000 0.879 45 N CB 0.341 38.711 38.487 -0.195 0.000 0.983 45 N HN 0.125 nan 8.380 nan 0.000 0.471 46 R N 0.871 121.464 120.500 0.154 0.000 2.441 46 R HA 0.460 4.800 4.340 -0.000 0.000 0.284 46 R C 0.155 176.545 176.300 0.150 0.000 1.070 46 R CA -0.197 55.946 56.100 0.072 0.000 1.047 46 R CB 1.009 31.282 30.300 -0.045 0.000 1.016 46 R HN 0.150 nan 8.270 nan 0.000 0.477 47 I N -1.630 118.865 120.570 -0.126 0.000 2.969 47 I HA 0.497 4.667 4.170 -0.000 0.000 0.307 47 I C -1.397 174.479 176.117 -0.400 0.000 1.149 47 I CA -1.371 59.843 61.300 -0.145 0.000 1.008 47 I CB 2.027 39.897 38.000 -0.216 0.000 1.232 47 I HN 0.387 nan 8.210 nan 0.000 0.435 48 Y N 3.104 123.403 120.300 -0.002 0.000 2.338 48 Y HA 0.608 5.158 4.550 -0.000 0.000 0.333 48 Y C -0.451 175.451 175.900 0.004 0.000 0.968 48 Y CA -1.047 57.064 58.100 0.018 0.000 1.123 48 Y CB 2.126 40.590 38.460 0.005 0.000 1.165 48 Y HN 0.285 nan 8.280 nan 0.000 0.452 49 V N 5.150 125.147 119.914 0.139 0.000 2.328 49 V HA 0.235 4.355 4.120 -0.000 0.000 0.278 49 V C -0.041 176.072 176.094 0.032 0.000 1.021 49 V CA -0.731 61.621 62.300 0.086 0.000 0.838 49 V CB 1.107 33.009 31.823 0.133 0.000 0.999 49 V HN 0.719 nan 8.190 nan 0.000 0.447 50 M N 4.837 124.426 119.600 -0.018 0.000 2.264 50 M HA 0.308 4.788 4.480 -0.000 0.000 0.340 50 M C -0.276 175.944 176.300 -0.133 0.000 1.420 50 M CA -0.161 55.086 55.300 -0.087 0.000 1.254 50 M CB -0.072 32.472 32.600 -0.093 0.000 1.575 50 M HN 0.564 nan 8.290 nan 0.000 0.452 51 D N 2.261 122.547 120.400 -0.189 0.000 2.380 51 D HA 0.138 4.778 4.640 -0.000 0.000 0.230 51 D C 0.883 177.094 176.300 -0.149 0.000 1.154 51 D CA 0.185 54.084 54.000 -0.169 0.000 0.859 51 D CB 0.957 41.610 40.800 -0.246 0.000 1.045 51 D HN 0.747 nan 8.370 nan 0.000 0.495 52 S N 2.205 117.831 115.700 -0.125 0.000 2.423 52 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 52 S C 1.125 175.697 174.600 -0.047 0.000 1.014 52 S CA 0.432 58.566 58.200 -0.109 0.000 0.965 52 S CB -0.362 62.783 63.200 -0.092 0.000 0.785 52 S HN 0.482 nan 8.310 nan 0.000 0.495 53 V N 1.812 121.722 119.914 -0.007 0.000 5.830 53 V HA -0.230 3.889 4.120 -0.000 0.000 0.274 53 V C 0.839 176.964 176.094 0.052 0.000 0.632 53 V CA 0.908 63.232 62.300 0.041 0.000 0.594 53 V CB -3.013 28.837 31.823 0.046 0.000 0.249 53 V HN 0.599 nan 8.190 nan 0.000 0.697 54 F N 0.825 120.716 119.950 -0.097 0.000 2.147 54 F HA -0.247 4.280 4.527 -0.000 0.000 0.301 54 F C 2.087 177.813 175.800 -0.122 0.000 1.084 54 F CA 2.636 60.571 58.000 -0.109 0.000 1.268 54 F CB 0.042 38.978 39.000 -0.107 0.000 1.009 54 F HN 0.360 nan 8.300 nan 0.000 0.486 55 M N -1.159 118.375 119.600 -0.110 0.000 2.358 55 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 55 M C 0.111 175.940 176.300 -0.785 0.000 1.064 55 M CA 1.496 56.562 55.300 -0.389 0.000 1.093 55 M CB -0.935 31.485 32.600 -0.301 0.000 1.401 55 M HN 0.149 nan 8.290 nan 0.000 0.440 56 H N -0.656 118.375 119.070 -0.065 0.000 2.695 56 H HA 0.165 4.721 4.556 -0.000 0.000 0.222 56 H C 0.706 176.013 175.328 -0.035 0.000 1.412 56 H CA -0.489 55.535 56.048 -0.040 0.000 1.347 56 H CB 0.188 29.944 29.762 -0.010 0.000 1.858 56 H HN 0.069 nan 8.280 nan 0.000 0.519 57 L N 1.997 123.193 121.223 -0.045 0.000 2.263 57 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 57 L C 2.284 179.181 176.870 0.044 0.000 1.111 57 L CA 2.166 56.957 54.840 -0.082 0.000 0.773 57 L CB -0.470 41.454 42.059 -0.225 0.000 0.906 57 L HN 0.477 nan 8.230 nan 0.000 0.439 58 T N -4.312 110.370 114.554 0.213 0.000 3.118 58 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 58 T C 1.217 175.993 174.700 0.127 0.000 1.139 58 T CA 0.717 62.975 62.100 0.264 0.000 1.085 58 T CB -0.277 68.715 68.868 0.207 0.000 0.934 58 T HN 0.501 nan 8.240 nan 0.000 0.518 59 E N 1.997 122.247 120.200 0.084 0.000 3.167 59 E HA 0.239 4.589 4.350 -0.000 0.000 0.210 59 E C -0.129 176.477 176.600 0.011 0.000 1.004 59 E CA -0.413 56.018 56.400 0.052 0.000 1.256 59 E CB 0.377 30.113 29.700 0.060 0.000 1.193 59 E HN 0.623 nan 8.360 nan 0.000 0.448 60 S N 1.102 116.781 115.700 -0.035 0.000 2.589 60 S HA 0.378 4.848 4.470 -0.000 0.000 0.265 60 S C 0.198 174.739 174.600 -0.098 0.000 1.342 60 S CA -0.592 57.556 58.200 -0.088 0.000 1.005 60 S CB 1.251 64.365 63.200 -0.144 0.000 0.909 60 S HN 0.410 nan 8.310 nan 0.000 0.555 61 R N -0.728 119.679 120.500 -0.155 0.000 2.728 61 R HA 0.472 4.812 4.340 -0.000 0.000 0.274 61 R C -2.359 173.786 176.300 -0.258 0.000 1.032 61 R CA -0.866 55.128 56.100 -0.177 0.000 0.866 61 R CB 0.425 30.652 30.300 -0.121 0.000 1.263 61 R HN 0.502 nan 8.270 nan 0.000 0.475 62 V N 2.426 122.224 119.914 -0.193 0.000 2.394 62 V HA 0.389 4.509 4.120 -0.000 0.000 0.282 62 V C -0.348 175.718 176.094 -0.047 0.000 1.031 62 V CA -0.712 61.514 62.300 -0.123 0.000 0.881 62 V CB 1.151 32.954 31.823 -0.032 0.000 0.982 62 V HN 0.578 nan 8.190 nan 0.000 0.451 63 H N 3.027 122.131 119.070 0.058 0.000 2.467 63 H HA 0.535 5.091 4.556 -0.000 0.000 0.326 63 H C -0.463 174.778 175.328 -0.145 0.000 1.094 63 H CA -0.616 55.436 56.048 0.006 0.000 1.253 63 H CB 1.934 31.871 29.762 0.292 0.000 1.439 63 H HN 0.389 nan 8.280 nan 0.000 0.479 64 V N 5.288 124.979 119.914 -0.372 0.000 2.394 64 V HA 0.240 4.360 4.120 -0.000 0.000 0.282 64 V C -0.524 175.196 176.094 -0.624 0.000 1.031 64 V CA -0.566 61.434 62.300 -0.498 0.000 0.881 64 V CB 0.279 31.808 31.823 -0.490 0.000 0.982 64 V HN 0.598 nan 8.190 nan 0.000 0.451 65 Y N 1.392 121.465 120.300 -0.378 0.000 2.602 65 Y HA 0.478 5.028 4.550 -0.000 0.000 0.342 65 Y C 0.074 175.866 175.900 -0.179 0.000 1.029 65 Y CA -0.978 56.979 58.100 -0.238 0.000 1.080 65 Y CB 1.751 40.142 38.460 -0.115 0.000 1.284 65 Y HN 0.551 nan 8.280 nan 0.000 0.485 66 D N 1.069 121.508 120.400 0.065 0.000 2.373 66 D HA 0.033 4.673 4.640 -0.000 0.000 0.227 66 D C 0.238 176.554 176.300 0.026 0.000 1.091 66 D CA -0.358 53.629 54.000 -0.022 0.000 0.840 66 D CB 0.681 41.438 40.800 -0.071 0.000 1.060 66 D HN 0.622 nan 8.370 nan 0.000 0.502 67 Y N 1.964 122.280 120.300 0.027 0.000 2.509 67 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 67 Y C 1.987 177.906 175.900 0.032 0.000 1.133 67 Y CA 1.316 59.426 58.100 0.017 0.000 1.283 67 Y CB -0.765 37.709 38.460 0.024 0.000 1.001 67 Y HN 0.290 nan 8.280 nan 0.000 0.555 68 T N -1.337 112.941 114.554 -0.460 0.000 2.951 68 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 68 T C 1.060 175.704 174.700 -0.094 0.000 1.073 68 T CA 1.220 63.149 62.100 -0.285 0.000 1.134 68 T CB -0.490 68.154 68.868 -0.373 0.000 0.884 68 T HN 0.635 nan 8.240 nan 0.000 0.479 69 N N -0.308 118.352 118.700 -0.066 0.000 2.082 69 N HA 0.251 4.991 4.740 -0.000 0.000 0.228 69 N C 1.300 176.824 175.510 0.022 0.000 1.341 69 N CA 0.329 53.367 53.050 -0.020 0.000 0.873 69 N CB -0.022 38.447 38.487 -0.030 0.000 1.137 69 N HN 0.533 nan 8.380 nan 0.000 0.505 70 G N 0.843 109.675 108.800 0.054 0.000 2.148 70 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.254 70 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.254 70 G C -0.195 174.855 174.900 0.251 0.000 0.981 70 G CA 0.501 45.673 45.100 0.119 0.000 0.670 70 G HN 0.690 nan 8.290 nan 0.000 0.528 71 K N -0.058 120.440 120.400 0.162 0.000 2.322 71 K HA 0.485 4.805 4.320 -0.000 0.000 0.283 71 K C 0.041 176.667 176.600 0.043 0.000 1.042 71 K CA -0.895 55.461 56.287 0.116 0.000 0.958 71 K CB 0.144 32.656 32.500 0.021 0.000 0.984 71 K HN 0.078 nan 8.250 nan 0.000 0.473 72 F N 5.887 125.689 119.950 -0.246 0.000 2.504 72 F HA 0.109 4.636 4.527 -0.000 0.000 0.369 72 F C 0.335 175.914 175.800 -0.369 0.000 1.082 72 F CA 0.003 57.608 58.000 -0.658 0.000 1.216 72 F CB 0.469 39.132 39.000 -0.562 0.000 1.108 72 F HN 0.532 nan 8.300 nan 0.000 0.554 73 L N 4.978 125.722 121.223 -0.798 0.000 2.575 73 L HA 0.490 4.830 4.340 -0.000 0.000 0.228 73 L C 0.981 177.581 176.870 -0.449 0.000 1.075 73 L CA 0.338 54.905 54.840 -0.456 0.000 0.867 73 L CB -0.235 41.618 42.059 -0.344 0.000 1.097 73 L HN 0.843 nan 8.230 nan 0.000 0.485 74 G N 0.582 108.875 108.800 -0.844 0.000 2.343 74 G HA2 0.427 4.387 3.960 -0.000 0.000 0.289 74 G HA3 0.427 4.387 3.960 -0.000 0.000 0.289 74 G C -1.620 173.021 174.900 -0.431 0.000 1.295 74 G CA -0.234 44.617 45.100 -0.415 0.000 0.869 74 G HN -0.020 nan 8.290 nan 0.000 0.522 75 M N -2.032 117.521 119.600 -0.078 0.000 2.833 75 M HA 0.824 5.304 4.480 -0.000 0.000 0.270 75 M C -1.705 174.568 176.300 -0.045 0.000 1.209 75 M CA -0.955 54.353 55.300 0.013 0.000 0.826 75 M CB 1.927 34.690 32.600 0.271 0.000 1.657 75 M HN 0.865 nan 8.290 nan 0.000 0.492 76 V N 1.832 121.655 119.914 -0.152 0.000 2.525 76 V HA 0.673 4.793 4.120 -0.000 0.000 0.299 76 V C -2.428 173.468 176.094 -0.331 0.000 1.034 76 V CA -1.212 60.814 62.300 -0.456 0.000 0.863 76 V CB 2.118 33.487 31.823 -0.756 0.000 0.999 76 V HN 0.802 nan 8.190 nan 0.000 0.423 77 P HA 0.198 nan 4.420 nan 0.000 0.276 77 P C 0.203 177.458 177.300 -0.076 0.000 1.235 77 P CA 0.059 63.120 63.100 -0.066 0.000 0.772 77 P CB 1.111 32.854 31.700 0.071 0.000 0.871 78 T N -0.497 114.015 114.554 -0.071 0.000 3.339 78 T HA 0.520 4.870 4.350 -0.000 0.000 0.292 78 T C 0.825 175.462 174.700 -0.106 0.000 1.012 78 T CA 0.242 62.295 62.100 -0.077 0.000 0.937 78 T CB -0.405 68.395 68.868 -0.113 0.000 1.164 78 T HN 0.589 nan 8.240 nan 0.000 0.509 79 A N 1.964 124.741 122.820 -0.073 0.000 5.481 79 A HA -0.211 4.109 4.320 -0.000 0.000 0.318 79 A C 0.048 177.618 177.584 -0.023 0.000 1.837 79 A CA 0.959 52.946 52.037 -0.084 0.000 0.717 79 A CB -1.760 17.023 19.000 -0.361 0.000 1.349 79 A HN 1.015 nan 8.150 nan 0.000 0.388 80 F N 2.438 122.290 119.950 -0.162 0.000 2.471 80 F HA 0.466 4.992 4.527 -0.000 0.000 0.365 80 F C 1.000 176.763 175.800 -0.062 0.000 1.095 80 F CA 0.505 58.455 58.000 -0.083 0.000 1.174 80 F CB -0.319 38.653 39.000 -0.046 0.000 1.105 80 F HN 0.914 nan 8.300 nan 0.000 0.535 81 N N 3.598 121.900 118.700 -0.663 0.000 2.669 81 N HA -0.189 4.551 4.740 -0.000 0.000 0.266 81 N C -0.149 175.241 175.510 -0.200 0.000 1.024 81 N CA 0.777 53.519 53.050 -0.513 0.000 0.766 81 N CB -0.826 37.218 38.487 -0.738 0.000 0.898 81 N HN 0.953 nan 8.380 nan 0.000 0.548 82 G N 0.590 109.286 108.800 -0.174 0.000 2.572 82 G HA2 0.356 4.316 3.960 -0.000 0.000 0.261 82 G HA3 0.356 4.316 3.960 -0.000 0.000 0.261 82 G C -0.554 174.266 174.900 -0.135 0.000 1.197 82 G CA -0.356 44.683 45.100 -0.103 0.000 0.870 82 G HN 0.594 nan 8.290 nan 0.000 0.548 83 H N -1.473 117.467 119.070 -0.215 0.000 2.797 83 H HA 0.653 5.209 4.556 -0.000 0.000 0.372 83 H C -1.024 174.261 175.328 -0.071 0.000 1.168 83 H CA -0.583 55.365 56.048 -0.167 0.000 1.163 83 H CB 2.582 32.168 29.762 -0.293 0.000 1.778 83 H HN 0.433 nan 8.280 nan 0.000 0.551 84 V N 1.620 121.691 119.914 0.262 0.000 3.178 84 V HA 0.367 4.487 4.120 -0.000 0.000 0.302 84 V C -1.790 174.494 176.094 0.318 0.000 1.262 84 V CA -0.435 62.056 62.300 0.317 0.000 1.030 84 V CB 2.639 34.514 31.823 0.087 0.000 1.074 84 V HN 1.012 nan 8.190 nan 0.000 0.438 85 Q N 3.034 122.948 119.800 0.191 0.000 2.527 85 Q HA 0.731 5.071 4.340 -0.000 0.000 0.280 85 Q C -2.196 173.673 176.000 -0.217 0.000 0.977 85 Q CA -0.910 54.871 55.803 -0.036 0.000 0.837 85 Q CB 2.220 30.897 28.738 -0.102 0.000 1.454 85 Q HN 0.508 nan 8.270 nan 0.000 0.387 86 V N 1.827 121.522 119.914 -0.364 0.000 2.532 86 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 86 V C 0.307 176.091 176.094 -0.516 0.000 1.041 86 V CA -0.338 61.641 62.300 -0.535 0.000 0.926 86 V CB 1.551 32.974 31.823 -0.666 0.000 0.992 86 V HN 0.918 nan 8.190 nan 0.000 0.457 87 S N 3.439 118.716 115.700 -0.705 0.000 2.568 87 S HA 0.050 4.520 4.470 -0.000 0.000 0.282 87 S C 1.004 175.440 174.600 -0.274 0.000 1.338 87 S CA -0.342 57.522 58.200 -0.560 0.000 1.045 87 S CB 0.272 63.136 63.200 -0.562 0.000 0.873 87 S HN 0.691 nan 8.310 nan 0.000 0.516 88 N N 2.355 120.973 118.700 -0.136 0.000 2.137 88 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 88 N C 1.099 176.568 175.510 -0.067 0.000 1.017 88 N CA 1.745 54.745 53.050 -0.083 0.000 0.859 88 N CB -0.648 37.821 38.487 -0.031 0.000 1.002 88 N HN 0.950 nan 8.380 nan 0.000 0.428 89 D N -1.049 119.316 120.400 -0.059 0.000 2.363 89 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 89 D C 1.168 177.464 176.300 -0.007 0.000 1.020 89 D CA 0.691 54.678 54.000 -0.022 0.000 0.892 89 D CB -0.581 40.213 40.800 -0.009 0.000 0.900 89 D HN 0.216 nan 8.370 nan 0.000 0.531 90 G N 0.547 109.301 108.800 -0.076 0.000 2.168 90 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.257 90 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.257 90 G C 0.982 175.941 174.900 0.097 0.000 0.997 90 G CA 0.693 45.771 45.100 -0.037 0.000 0.708 90 G HN 0.487 nan 8.290 nan 0.000 0.520 91 K N -0.974 119.429 120.400 0.005 0.000 2.284 91 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 91 K C 0.929 177.535 176.600 0.009 0.000 1.048 91 K CA 0.570 56.878 56.287 0.035 0.000 0.987 91 K CB 0.220 32.732 32.500 0.020 0.000 0.800 91 K HN 0.197 nan 8.250 nan 0.000 0.486 92 K N 0.771 121.110 120.400 -0.102 0.000 2.444 92 K HA 0.467 4.787 4.320 -0.000 0.000 0.252 92 K C -0.586 175.844 176.600 -0.283 0.000 0.993 92 K CA -0.624 55.593 56.287 -0.117 0.000 0.847 92 K CB 2.147 34.601 32.500 -0.077 0.000 1.340 92 K HN -0.098 nan 8.250 nan 0.000 0.446 93 I N 1.848 122.358 120.570 -0.100 0.000 2.406 93 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 93 I C -0.747 175.445 176.117 0.126 0.000 0.999 93 I CA -0.860 60.369 61.300 -0.119 0.000 1.124 93 I CB 1.045 39.043 38.000 -0.004 0.000 1.289 93 I HN 0.369 nan 8.210 nan 0.000 0.441 94 Y N 4.116 124.484 120.300 0.114 0.000 2.331 94 Y HA 0.442 4.992 4.550 -0.000 0.000 0.338 94 Y C 0.665 176.802 175.900 0.395 0.000 0.992 94 Y CA -0.945 57.305 58.100 0.251 0.000 1.121 94 Y CB 2.002 40.548 38.460 0.143 0.000 1.184 94 Y HN 0.499 nan 8.280 nan 0.000 0.469 95 T N 1.489 116.365 114.554 0.537 0.000 2.924 95 T HA 0.689 5.039 4.350 -0.000 0.000 0.291 95 T C -0.755 174.010 174.700 0.108 0.000 1.045 95 T CA -1.018 61.255 62.100 0.290 0.000 1.015 95 T CB 2.295 71.255 68.868 0.154 0.000 1.103 95 T HN 0.697 nan 8.240 nan 0.000 0.496 96 M N 2.203 121.651 119.600 -0.253 0.000 2.267 96 M HA 0.602 5.082 4.480 -0.000 0.000 0.289 96 M C -1.190 174.991 176.300 -0.198 0.000 1.043 96 M CA -0.119 54.959 55.300 -0.370 0.000 0.928 96 M CB 1.947 33.937 32.600 -1.017 0.000 1.613 96 M HN 1.058 nan 8.290 nan 0.000 0.450 97 T N 1.559 116.046 114.554 -0.111 0.000 2.665 97 T HA 0.651 5.001 4.350 -0.000 0.000 0.303 97 T C -1.542 173.085 174.700 -0.122 0.000 1.334 97 T CA -0.298 61.727 62.100 -0.125 0.000 1.011 97 T CB 2.148 70.894 68.868 -0.204 0.000 1.573 97 T HN 0.704 nan 8.240 nan 0.000 0.492 98 T N 1.694 116.158 114.554 -0.150 0.000 2.861 98 T HA 0.730 5.080 4.350 -0.000 0.000 0.287 98 T C -1.691 172.860 174.700 -0.249 0.000 1.003 98 T CA -0.263 61.770 62.100 -0.111 0.000 0.977 98 T CB 0.781 69.674 68.868 0.042 0.000 0.996 98 T HN 0.454 nan 8.240 nan 0.000 0.448 99 Y N 0.940 121.179 120.300 -0.103 0.000 2.598 99 Y HA 0.595 5.145 4.550 -0.000 0.000 0.340 99 Y C 0.489 176.219 175.900 -0.284 0.000 1.038 99 Y CA -1.053 56.994 58.100 -0.087 0.000 1.100 99 Y CB 1.738 40.171 38.460 -0.045 0.000 1.281 99 Y HN 0.557 nan 8.280 nan 0.000 0.488 100 H N 0.443 119.606 119.070 0.156 0.000 2.806 100 H HA 0.193 4.749 4.556 -0.000 0.000 0.367 100 H C 0.019 175.378 175.328 0.052 0.000 1.136 100 H CA -0.570 55.513 56.048 0.057 0.000 1.178 100 H CB 2.238 31.994 29.762 -0.010 0.000 1.718 100 H HN 0.836 nan 8.280 nan 0.000 0.540 101 E N 1.257 121.540 120.200 0.138 0.000 2.136 101 E HA -0.186 4.164 4.350 -0.000 0.000 0.202 101 E C 0.469 177.109 176.600 0.066 0.000 1.019 101 E CA 1.147 57.590 56.400 0.071 0.000 0.819 101 E CB 0.325 30.052 29.700 0.046 0.000 0.739 101 E HN 0.214 nan 8.360 nan 0.000 0.458 102 R N -0.424 120.120 120.500 0.073 0.000 2.727 102 R HA 0.269 4.609 4.340 -0.000 0.000 0.410 102 R C 0.817 177.137 176.300 0.034 0.000 1.101 102 R CA -0.158 55.966 56.100 0.041 0.000 1.045 102 R CB 0.039 30.347 30.300 0.014 0.000 1.380 102 R HN 0.228 nan 8.270 nan 0.000 0.587 103 I N -0.626 119.995 120.570 0.085 0.000 4.588 103 I HA -0.495 3.675 4.170 -0.000 0.000 0.053 103 I C 1.442 177.509 176.117 -0.083 0.000 0.617 103 I CA 2.586 63.923 61.300 0.061 0.000 0.853 103 I CB -1.456 36.566 38.000 0.037 0.000 0.779 103 I HN 0.264 nan 8.210 nan 0.000 0.163 104 T N 0.079 114.563 114.554 -0.116 0.000 3.086 104 T HA 0.327 4.677 4.350 -0.000 0.000 0.250 104 T C 0.416 174.982 174.700 -0.223 0.000 1.074 104 T CA 0.301 62.280 62.100 -0.201 0.000 0.988 104 T CB -0.014 68.779 68.868 -0.125 0.000 0.988 104 T HN 0.750 nan 8.240 nan 0.000 0.530 105 R N -0.724 119.677 120.500 -0.165 0.000 2.752 105 R HA 0.655 4.995 4.340 -0.000 0.000 0.271 105 R C -0.232 176.045 176.300 -0.038 0.000 1.026 105 R CA -0.602 55.426 56.100 -0.119 0.000 0.901 105 R CB 0.513 30.773 30.300 -0.068 0.000 1.243 105 R HN 0.390 nan 8.270 nan 0.000 0.463 106 G N 0.935 109.736 108.800 0.002 0.000 2.712 106 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.683 106 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.683 106 G C -1.157 173.823 174.900 0.134 0.000 1.320 106 G CA -0.356 44.778 45.100 0.056 0.000 0.847 106 G HN 0.700 nan 8.290 nan 0.000 0.553 107 K N 0.425 120.883 120.400 0.097 0.000 2.489 107 K HA 0.144 4.464 4.320 -0.000 0.000 0.278 107 K C 0.833 177.484 176.600 0.085 0.000 1.000 107 K CA 0.062 56.400 56.287 0.086 0.000 1.012 107 K CB 0.375 32.896 32.500 0.034 0.000 0.903 107 K HN 0.752 nan 8.250 nan 0.000 0.485 108 R N 1.879 122.391 120.500 0.021 0.000 2.404 108 R HA 0.183 4.523 4.340 -0.000 0.000 0.291 108 R C -1.008 175.203 176.300 -0.148 0.000 1.025 108 R CA -0.300 55.652 56.100 -0.247 0.000 0.991 108 R CB 0.823 30.993 30.300 -0.217 0.000 1.053 108 R HN 0.499 nan 8.270 nan 0.000 0.479 109 S N 3.081 118.688 115.700 -0.156 0.000 2.746 109 S HA 0.193 4.663 4.470 -0.000 0.000 0.273 109 S C -1.666 172.943 174.600 0.014 0.000 1.172 109 S CA -0.864 57.317 58.200 -0.032 0.000 1.116 109 S CB 1.302 64.513 63.200 0.019 0.000 1.057 109 S HN 0.581 nan 8.310 nan 0.000 0.483 110 D N 2.622 123.010 120.400 -0.020 0.000 2.210 110 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 110 D C 0.139 176.454 176.300 0.025 0.000 1.078 110 D CA -0.089 53.904 54.000 -0.012 0.000 0.875 110 D CB 1.561 42.329 40.800 -0.054 0.000 1.175 110 D HN 0.381 nan 8.370 nan 0.000 0.440 111 V N -0.855 119.099 119.914 0.066 0.000 3.206 111 V HA 0.704 4.824 4.120 -0.000 0.000 0.305 111 V C -1.028 175.132 176.094 0.111 0.000 1.257 111 V CA -0.872 61.493 62.300 0.108 0.000 1.057 111 V CB 1.996 33.937 31.823 0.197 0.000 1.075 111 V HN 0.183 nan 8.190 nan 0.000 0.443 112 V N 1.352 121.359 119.914 0.156 0.000 2.540 112 V HA 0.600 4.720 4.120 -0.000 0.000 0.302 112 V C -0.356 175.900 176.094 0.270 0.000 1.035 112 V CA -0.234 62.185 62.300 0.199 0.000 0.873 112 V CB 1.605 33.546 31.823 0.196 0.000 0.992 112 V HN 1.042 nan 8.190 nan 0.000 0.428 113 E N 3.146 123.576 120.200 0.383 0.000 2.212 113 E HA 0.620 4.970 4.350 -0.000 0.000 0.268 113 E C -1.467 175.441 176.600 0.514 0.000 0.902 113 E CA -0.762 55.937 56.400 0.498 0.000 0.779 113 E CB 2.828 32.998 29.700 0.783 0.000 1.172 113 E HN 0.396 nan 8.360 nan 0.000 0.409 114 V N 2.725 122.812 119.914 0.288 0.000 2.370 114 V HA 0.321 4.441 4.120 -0.000 0.000 0.283 114 V C -1.026 175.146 176.094 0.130 0.000 1.023 114 V CA -0.721 61.758 62.300 0.298 0.000 0.857 114 V CB 0.227 32.136 31.823 0.143 0.000 0.985 114 V HN 0.588 nan 8.190 nan 0.000 0.443 115 W N 1.861 123.230 121.300 0.116 0.000 2.689 115 W HA 0.505 5.165 4.660 -0.000 0.000 0.340 115 W C -0.044 176.502 176.519 0.046 0.000 1.060 115 W CA -0.908 56.488 57.345 0.086 0.000 1.218 115 W CB 1.112 30.660 29.460 0.146 0.000 1.410 115 W HN 0.560 nan 8.180 nan 0.000 0.528 116 D N 0.892 121.434 120.400 0.237 0.000 2.351 116 D HA 0.378 5.018 4.640 -0.000 0.000 0.251 116 D C 1.052 177.472 176.300 0.200 0.000 1.137 116 D CA 0.315 54.408 54.000 0.155 0.000 0.879 116 D CB 1.615 42.471 40.800 0.095 0.000 1.181 116 D HN 0.413 nan 8.370 nan 0.000 0.448 117 A N 3.676 126.591 122.820 0.157 0.000 1.902 117 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 117 A C 1.675 179.367 177.584 0.179 0.000 1.181 117 A CA 1.327 53.480 52.037 0.194 0.000 0.623 117 A CB -0.235 18.903 19.000 0.231 0.000 0.818 117 A HN 0.686 nan 8.150 nan 0.000 0.443 118 D N -0.740 119.737 120.400 0.128 0.000 2.213 118 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 118 D C 1.616 177.973 176.300 0.096 0.000 0.961 118 D CA 0.808 54.862 54.000 0.091 0.000 0.853 118 D CB -0.038 40.798 40.800 0.060 0.000 0.967 118 D HN 0.222 nan 8.370 nan 0.000 0.496 119 K N 0.279 120.747 120.400 0.113 0.000 2.352 119 K HA 0.191 4.510 4.320 -0.000 0.000 0.194 119 K C 0.711 177.417 176.600 0.176 0.000 1.038 119 K CA -0.160 56.198 56.287 0.119 0.000 1.023 119 K CB 0.785 33.339 32.500 0.091 0.000 0.840 119 K HN 0.142 nan 8.250 nan 0.000 0.519 120 L N 2.520 123.881 121.223 0.230 0.000 3.660 120 L HA -0.207 4.133 4.340 -0.000 0.000 0.440 120 L C -0.265 176.928 176.870 0.538 0.000 1.262 120 L CA 0.738 55.787 54.840 0.348 0.000 0.837 120 L CB -2.357 39.838 42.059 0.226 0.000 1.689 120 L HN 0.219 nan 8.230 nan 0.000 0.890 121 T N -3.057 111.751 114.554 0.423 0.000 2.885 121 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 121 T C -0.427 174.183 174.700 -0.149 0.000 1.019 121 T CA -0.776 61.456 62.100 0.219 0.000 1.010 121 T CB 2.352 71.269 68.868 0.082 0.000 1.022 121 T HN 0.155 nan 8.240 nan 0.000 0.466 122 F N 1.748 121.149 119.950 -0.914 0.000 2.484 122 F HA 0.350 4.877 4.527 -0.000 0.000 0.360 122 F C 0.984 176.450 175.800 -0.557 0.000 1.101 122 F CA -0.200 56.996 58.000 -1.340 0.000 1.251 122 F CB 0.687 38.935 39.000 -1.253 0.000 1.132 122 F HN 0.854 nan 8.300 nan 0.000 0.570 123 E N 2.872 122.253 120.200 -1.365 0.000 2.475 123 E HA 0.124 4.474 4.350 -0.000 0.000 0.205 123 E C -0.452 175.508 176.600 -1.067 0.000 0.822 123 E CA -0.246 55.608 56.400 -0.911 0.000 1.240 123 E CB 0.714 30.158 29.700 -0.427 0.000 1.222 123 E HN 0.463 nan 8.360 nan 0.000 0.581 124 K N 1.194 120.913 120.400 -1.136 0.000 2.527 124 K HA 0.255 4.575 4.320 -0.000 0.000 0.260 124 K C -1.831 174.642 176.600 -0.212 0.000 0.937 124 K CA -0.394 55.548 56.287 -0.574 0.000 0.826 124 K CB 2.592 34.947 32.500 -0.241 0.000 1.359 124 K HN -0.085 nan 8.250 nan 0.000 0.434 125 E N 4.689 124.961 120.200 0.119 0.000 2.176 125 E HA 0.363 4.713 4.350 -0.000 0.000 0.267 125 E C -1.202 175.483 176.600 0.142 0.000 0.893 125 E CA -0.684 55.882 56.400 0.276 0.000 0.761 125 E CB 1.142 31.050 29.700 0.346 0.000 1.133 125 E HN 0.477 nan 8.360 nan 0.000 0.409 126 I N 3.318 123.971 120.570 0.138 0.000 2.382 126 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 126 I C -0.156 176.020 176.117 0.098 0.000 1.002 126 I CA -0.707 60.654 61.300 0.101 0.000 1.135 126 I CB 1.933 39.987 38.000 0.091 0.000 1.288 126 I HN 0.410 nan 8.210 nan 0.000 0.448 127 S N 7.004 122.747 115.700 0.073 0.000 2.549 127 S HA 0.489 4.959 4.470 -0.000 0.000 0.283 127 S C -0.131 174.464 174.600 -0.010 0.000 1.320 127 S CA -0.279 57.942 58.200 0.035 0.000 1.058 127 S CB 0.486 63.698 63.200 0.021 0.000 0.882 127 S HN 0.329 nan 8.310 nan 0.000 0.498 128 L N 3.894 125.065 121.223 -0.087 0.000 2.323 128 L HA 0.572 4.912 4.340 -0.000 0.000 0.265 128 L C -2.218 174.462 176.870 -0.317 0.000 1.012 128 L CA -2.616 52.055 54.840 -0.283 0.000 0.820 128 L CB 1.685 43.631 42.059 -0.189 0.000 1.334 128 L HN 0.377 nan 8.230 nan 0.000 0.427 129 P HA 0.123 nan 4.420 nan 0.000 0.271 129 P C -2.511 174.683 177.300 -0.176 0.000 1.218 129 P CA -1.469 61.456 63.100 -0.291 0.000 0.780 129 P CB 0.038 31.547 31.700 -0.318 0.000 0.901 130 P HA 0.013 nan 4.420 nan 0.000 0.235 130 P C 0.137 177.420 177.300 -0.029 0.000 1.720 130 P CA 0.464 63.529 63.100 -0.058 0.000 1.003 130 P CB -0.674 31.003 31.700 -0.038 0.000 1.968 131 K N 0.246 120.624 120.400 -0.037 0.000 2.637 131 K HA 0.143 4.463 4.320 -0.000 0.000 0.184 131 K C 0.174 176.781 176.600 0.011 0.000 1.200 131 K CA -0.746 55.544 56.287 0.005 0.000 1.122 131 K CB 0.031 32.539 32.500 0.014 0.000 0.926 131 K HN -0.016 nan 8.250 nan 0.000 0.535 132 R N 0.592 121.080 120.500 -0.020 0.000 2.679 132 R HA 0.206 4.546 4.340 -0.000 0.000 0.268 132 R C 0.095 176.389 176.300 -0.009 0.000 1.044 132 R CA -0.527 55.551 56.100 -0.036 0.000 1.105 132 R CB 0.377 30.628 30.300 -0.080 0.000 0.989 132 R HN 0.024 nan 8.270 nan 0.000 0.447 133 V N 2.858 122.752 119.914 -0.033 0.000 2.599 133 V HA 0.005 4.125 4.120 -0.000 0.000 0.300 133 V C -0.366 175.749 176.094 0.036 0.000 1.034 133 V CA 0.521 62.846 62.300 0.042 0.000 1.115 133 V CB 0.402 32.237 31.823 0.021 0.000 0.934 133 V HN 0.836 nan 8.190 nan 0.000 0.485 134 Q N 5.424 125.319 119.800 0.159 0.000 2.394 134 Q HA 0.695 5.035 4.340 -0.000 0.000 0.259 134 Q C 0.058 176.206 176.000 0.246 0.000 1.021 134 Q CA 0.072 55.993 55.803 0.197 0.000 0.805 134 Q CB 1.769 30.663 28.738 0.261 0.000 1.226 134 Q HN 1.057 nan 8.270 nan 0.000 0.476 135 G N 1.294 110.269 108.800 0.292 0.000 2.430 135 G HA2 0.309 4.269 3.960 -0.000 0.000 0.300 135 G HA3 0.309 4.269 3.960 -0.000 0.000 0.300 135 G C -1.218 173.842 174.900 0.267 0.000 1.330 135 G CA -1.001 44.279 45.100 0.300 0.000 0.813 135 G HN 0.402 nan 8.290 nan 0.000 0.487 136 L N 0.739 122.096 121.223 0.223 0.000 2.483 136 L HA 0.130 4.470 4.340 -0.000 0.000 0.275 136 L C 0.443 177.349 176.870 0.060 0.000 1.220 136 L CA -0.459 54.403 54.840 0.036 0.000 0.833 136 L CB 0.294 42.316 42.059 -0.062 0.000 1.102 136 L HN 0.447 nan 8.230 nan 0.000 0.490 137 N N 2.044 120.633 118.700 -0.185 0.000 3.103 137 N HA 0.061 4.801 4.740 -0.000 0.000 0.305 137 N C -0.738 174.764 175.510 -0.013 0.000 1.232 137 N CA 0.173 53.126 53.050 -0.162 0.000 1.190 137 N CB -0.229 38.086 38.487 -0.287 0.000 1.461 137 N HN 0.347 nan 8.380 nan 0.000 0.538 138 Y N 0.503 120.912 120.300 0.183 0.000 2.346 138 Y HA -0.007 4.543 4.550 -0.000 0.000 0.330 138 Y C 1.749 177.755 175.900 0.177 0.000 1.178 138 Y CA -0.356 57.867 58.100 0.205 0.000 1.331 138 Y CB 0.854 39.469 38.460 0.259 0.000 1.253 138 Y HN 0.185 nan 8.280 nan 0.000 0.529 139 D N 2.285 122.865 120.400 0.299 0.000 2.123 139 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 139 D C 2.117 178.526 176.300 0.181 0.000 0.992 139 D CA 1.652 55.776 54.000 0.207 0.000 0.833 139 D CB -0.493 40.401 40.800 0.157 0.000 0.954 139 D HN 0.905 nan 8.370 nan 0.000 0.455 140 G N 0.091 108.996 108.800 0.175 0.000 2.653 140 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.212 140 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.212 140 G C 1.440 176.328 174.900 -0.019 0.000 1.138 140 G CA 0.078 45.219 45.100 0.068 0.000 0.782 140 G HN 0.275 nan 8.290 nan 0.000 0.535 141 L N -1.504 119.758 121.223 0.064 0.000 2.477 141 L HA 0.395 4.735 4.340 -0.000 0.000 0.220 141 L C 0.105 177.017 176.870 0.069 0.000 1.106 141 L CA 0.019 54.837 54.840 -0.037 0.000 0.851 141 L CB 0.356 42.437 42.059 0.038 0.000 0.994 141 L HN 0.157 nan 8.230 nan 0.000 0.462 142 F N 1.316 121.241 119.950 -0.041 0.000 3.034 142 F HA 0.459 4.986 4.527 -0.000 0.000 0.371 142 F C -0.315 175.483 175.800 -0.003 0.000 1.233 142 F CA -0.814 57.167 58.000 -0.032 0.000 1.134 142 F CB 0.354 39.380 39.000 0.043 0.000 1.495 142 F HN -0.224 nan 8.300 nan 0.000 0.563 143 R N 2.679 123.033 120.500 -0.243 0.000 3.150 143 R HA 0.619 4.959 4.340 -0.000 0.000 0.236 143 R C -1.044 175.083 176.300 -0.289 0.000 1.469 143 R CA -0.840 55.112 56.100 -0.246 0.000 1.045 143 R CB 1.795 32.005 30.300 -0.150 0.000 1.481 143 R HN 0.679 nan 8.270 nan 0.000 0.506 144 Q N -0.643 119.056 119.800 -0.167 0.000 2.462 144 Q HA 0.393 4.732 4.340 -0.000 0.000 0.285 144 Q C -0.950 175.036 176.000 -0.023 0.000 1.035 144 Q CA -0.886 54.858 55.803 -0.097 0.000 0.799 144 Q CB 1.712 30.426 28.738 -0.040 0.000 1.452 144 Q HN 0.616 nan 8.270 nan 0.000 0.404 145 T N -0.881 113.703 114.554 0.050 0.000 2.856 145 T HA 0.088 4.438 4.350 -0.000 0.000 0.306 145 T C 1.010 175.756 174.700 0.077 0.000 1.062 145 T CA 0.410 62.575 62.100 0.108 0.000 1.083 145 T CB 0.698 69.697 68.868 0.219 0.000 0.984 145 T HN 0.625 nan 8.240 nan 0.000 0.542 146 T N 1.461 116.062 114.554 0.078 0.000 2.759 146 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 146 T C 1.522 176.253 174.700 0.051 0.000 1.042 146 T CA 1.799 63.934 62.100 0.058 0.000 1.140 146 T CB -0.587 68.319 68.868 0.063 0.000 0.864 146 T HN 0.943 nan 8.240 nan 0.000 0.455 147 D N 0.434 120.873 120.400 0.065 0.000 2.363 147 D HA 0.170 4.810 4.640 -0.000 0.000 0.226 147 D C 1.524 177.837 176.300 0.020 0.000 1.020 147 D CA 0.742 54.769 54.000 0.045 0.000 0.892 147 D CB -0.879 39.956 40.800 0.058 0.000 0.900 147 D HN 0.430 nan 8.370 nan 0.000 0.531 148 G N 0.659 109.476 108.800 0.028 0.000 2.168 148 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 148 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 148 G C 1.181 176.049 174.900 -0.054 0.000 0.977 148 G CA 0.608 45.716 45.100 0.013 0.000 0.659 148 G HN 0.350 nan 8.290 nan 0.000 0.533 149 K N -0.940 119.379 120.400 -0.136 0.000 2.305 149 K HA 0.254 4.574 4.320 -0.000 0.000 0.199 149 K C 0.463 176.563 176.600 -0.833 0.000 1.047 149 K CA 0.716 56.718 56.287 -0.474 0.000 0.976 149 K CB 0.131 32.275 32.500 -0.595 0.000 0.765 149 K HN 0.478 nan 8.250 nan 0.000 0.474 150 F N -0.065 119.863 119.950 -0.036 0.000 2.576 150 F HA 0.443 4.970 4.527 -0.000 0.000 0.313 150 F C 0.087 175.813 175.800 -0.123 0.000 1.078 150 F CA -1.057 56.898 58.000 -0.075 0.000 0.921 150 F CB 1.438 40.407 39.000 -0.052 0.000 1.232 150 F HN -0.327 nan 8.300 nan 0.000 0.459 151 I N 3.199 123.771 120.570 0.003 0.000 2.331 151 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 151 I C -0.915 175.145 176.117 -0.094 0.000 0.998 151 I CA -0.865 60.352 61.300 -0.139 0.000 1.267 151 I CB 1.440 39.297 38.000 -0.240 0.000 1.386 151 I HN 0.222 nan 8.210 nan 0.000 0.476 152 V N 7.468 127.268 119.914 -0.190 0.000 2.384 152 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 152 V C -0.231 175.747 176.094 -0.194 0.000 1.020 152 V CA -0.606 61.527 62.300 -0.278 0.000 0.850 152 V CB 1.326 32.795 31.823 -0.590 0.000 0.987 152 V HN 0.536 nan 8.190 nan 0.000 0.436 153 L N 2.400 123.569 121.223 -0.089 0.000 2.350 153 L HA 0.884 5.224 4.340 -0.000 0.000 0.260 153 L C -0.635 176.185 176.870 -0.083 0.000 1.015 153 L CA -1.022 53.819 54.840 0.003 0.000 0.821 153 L CB 1.826 43.997 42.059 0.186 0.000 1.370 153 L HN 0.460 nan 8.230 nan 0.000 0.416 154 Q N 1.546 121.254 119.800 -0.153 0.000 2.256 154 Q HA 0.493 4.833 4.340 -0.000 0.000 0.254 154 Q C -1.230 174.696 176.000 -0.124 0.000 0.916 154 Q CA 0.164 55.823 55.803 -0.240 0.000 0.932 154 Q CB 0.967 29.366 28.738 -0.565 0.000 1.207 154 Q HN 0.733 nan 8.270 nan 0.000 0.426 155 N N 1.736 120.419 118.700 -0.029 0.000 2.404 155 N HA 0.829 5.569 4.740 -0.000 0.000 0.297 155 N C -1.611 173.981 175.510 0.137 0.000 1.163 155 N CA -0.405 52.676 53.050 0.051 0.000 0.864 155 N CB 2.011 40.545 38.487 0.079 0.000 1.247 155 N HN 0.625 nan 8.380 nan 0.000 0.510 156 A N -0.057 122.854 122.820 0.152 0.000 2.485 156 A HA 0.424 4.744 4.320 -0.000 0.000 0.285 156 A C -0.259 177.400 177.584 0.126 0.000 1.045 156 A CA -0.609 51.546 52.037 0.197 0.000 0.792 156 A CB 0.278 19.462 19.000 0.306 0.000 1.307 156 A HN 0.600 nan 8.150 nan 0.000 0.406 157 S N 1.708 117.467 115.700 0.099 0.000 2.846 157 S HA 0.260 4.730 4.470 -0.000 0.000 0.249 157 S C -0.742 173.893 174.600 0.057 0.000 1.028 157 S CA 0.256 58.498 58.200 0.071 0.000 1.043 157 S CB -0.208 63.026 63.200 0.056 0.000 0.990 157 S HN 0.639 nan 8.310 nan 0.000 0.564 158 P HA 0.385 nan 4.420 nan 0.000 0.249 158 P C 0.451 177.798 177.300 0.078 0.000 1.229 158 P CA 0.028 63.169 63.100 0.069 0.000 0.788 158 P CB -0.204 31.522 31.700 0.043 0.000 1.072 159 A N 1.452 124.313 122.820 0.069 0.000 2.546 159 A HA 0.326 4.646 4.320 -0.000 0.000 0.243 159 A C 0.775 178.425 177.584 0.110 0.000 1.063 159 A CA 0.245 52.327 52.037 0.073 0.000 0.757 159 A CB -0.301 18.734 19.000 0.059 0.000 0.991 159 A HN 0.410 nan 8.150 nan 0.000 0.503 160 T N 0.358 114.992 114.554 0.133 0.000 2.909 160 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 160 T C 0.007 174.790 174.700 0.139 0.000 1.002 160 T CA 0.125 62.338 62.100 0.189 0.000 1.074 160 T CB 1.049 70.093 68.868 0.294 0.000 0.984 160 T HN 1.879 nan 8.240 nan 0.000 0.495 161 S N 1.613 117.389 115.700 0.127 0.000 2.611 161 S HA 0.633 5.103 4.470 -0.000 0.000 0.268 161 S C -1.386 173.259 174.600 0.074 0.000 1.156 161 S CA -1.181 57.078 58.200 0.098 0.000 0.817 161 S CB 0.731 63.989 63.200 0.097 0.000 1.122 161 S HN 0.802 nan 8.310 nan 0.000 0.466 162 I N 1.423 122.034 120.570 0.069 0.000 2.378 162 I HA 0.579 4.749 4.170 -0.000 0.000 0.291 162 I C 0.754 176.898 176.117 0.046 0.000 0.992 162 I CA -0.645 60.672 61.300 0.028 0.000 1.154 162 I CB 1.732 39.754 38.000 0.036 0.000 1.315 162 I HN 0.931 nan 8.210 nan 0.000 0.448 163 G N 7.051 115.892 108.800 0.069 0.000 2.377 163 G HA2 0.618 4.578 3.960 -0.000 0.000 0.299 163 G HA3 0.618 4.578 3.960 -0.000 0.000 0.299 163 G C -0.578 174.295 174.900 -0.046 0.000 1.150 163 G CA -0.349 44.834 45.100 0.139 0.000 0.847 163 G HN 0.346 nan 8.290 nan 0.000 0.501 164 I N 1.807 122.205 120.570 -0.286 0.000 2.406 164 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 164 I C -0.429 175.566 176.117 -0.202 0.000 0.999 164 I CA -0.901 60.273 61.300 -0.210 0.000 1.124 164 I CB 1.535 39.399 38.000 -0.227 0.000 1.289 164 I HN 0.051 nan 8.210 nan 0.000 0.441 165 V N 5.093 125.014 119.914 0.012 0.000 2.448 165 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 165 V C -0.125 176.051 176.094 0.135 0.000 1.025 165 V CA -0.683 61.659 62.300 0.070 0.000 0.859 165 V CB 2.107 33.981 31.823 0.084 0.000 0.988 165 V HN 0.648 nan 8.190 nan 0.000 0.431 166 D N 4.224 124.704 120.400 0.133 0.000 2.336 166 D HA 0.158 4.798 4.640 -0.000 0.000 0.249 166 D C 0.939 177.178 176.300 -0.102 0.000 1.213 166 D CA 0.026 54.060 54.000 0.058 0.000 0.870 166 D CB 1.974 42.843 40.800 0.116 0.000 1.076 166 D HN 0.250 nan 8.370 nan 0.000 0.483 167 V N 4.832 124.606 119.914 -0.233 0.000 2.261 167 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 167 V C 2.546 178.560 176.094 -0.135 0.000 1.047 167 V CA 2.124 64.307 62.300 -0.195 0.000 1.015 167 V CB -0.841 30.857 31.823 -0.209 0.000 0.642 167 V HN 0.722 nan 8.190 nan 0.000 0.446 168 A N 0.031 122.752 122.820 -0.165 0.000 1.892 168 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 168 A C 2.234 179.779 177.584 -0.064 0.000 1.188 168 A CA 2.307 54.281 52.037 -0.105 0.000 0.631 168 A CB -0.453 18.476 19.000 -0.119 0.000 0.822 168 A HN 0.593 nan 8.150 nan 0.000 0.447 169 K N -1.598 118.769 120.400 -0.055 0.000 2.400 169 K HA 0.230 4.550 4.320 -0.000 0.000 0.194 169 K C 0.918 177.511 176.600 -0.010 0.000 1.033 169 K CA 0.424 56.699 56.287 -0.020 0.000 1.021 169 K CB -0.066 32.435 32.500 0.002 0.000 0.808 169 K HN 0.689 nan 8.250 nan 0.000 0.505 170 G N 2.939 111.726 108.800 -0.022 0.000 2.338 170 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.296 170 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.296 170 G C -0.700 174.217 174.900 0.029 0.000 1.040 170 G CA 0.588 45.683 45.100 -0.008 0.000 1.004 170 G HN 0.420 nan 8.290 nan 0.000 0.509 171 D N -1.296 119.133 120.400 0.047 0.000 2.756 171 D HA 0.356 4.996 4.640 -0.000 0.000 0.226 171 D C -0.700 175.680 176.300 0.133 0.000 1.186 171 D CA -0.748 53.306 54.000 0.090 0.000 0.845 171 D CB 1.435 42.278 40.800 0.072 0.000 1.610 171 D HN 0.045 nan 8.370 nan 0.000 0.465 172 Y N 2.935 123.257 120.300 0.038 0.000 2.537 172 Y HA 0.218 4.768 4.550 -0.000 0.000 0.339 172 Y C 0.943 176.870 175.900 0.045 0.000 1.066 172 Y CA 0.305 58.431 58.100 0.042 0.000 1.357 172 Y CB 0.560 39.041 38.460 0.035 0.000 1.175 172 Y HN 0.200 nan 8.280 nan 0.000 0.525 173 V N 1.702 121.473 119.914 -0.237 0.000 3.380 173 V HA 0.451 4.571 4.120 -0.000 0.000 0.307 173 V C -0.574 175.376 176.094 -0.241 0.000 1.434 173 V CA 0.319 62.528 62.300 -0.151 0.000 1.075 173 V CB 0.144 31.952 31.823 -0.025 0.000 0.954 173 V HN 0.660 nan 8.190 nan 0.000 0.444 174 E N -0.005 119.901 120.200 -0.490 0.000 2.478 174 E HA 0.423 4.773 4.350 -0.000 0.000 0.293 174 E C -2.179 174.203 176.600 -0.364 0.000 1.011 174 E CA -0.172 56.034 56.400 -0.323 0.000 0.834 174 E CB 1.718 31.282 29.700 -0.226 0.000 1.226 174 E HN 0.246 nan 8.360 nan 0.000 0.419 175 D N 2.860 123.191 120.400 -0.114 0.000 2.453 175 D HA 0.340 4.980 4.640 -0.000 0.000 0.238 175 D C -1.005 175.308 176.300 0.023 0.000 1.088 175 D CA -0.434 53.583 54.000 0.029 0.000 0.854 175 D CB 1.407 42.294 40.800 0.146 0.000 1.076 175 D HN 0.201 nan 8.370 nan 0.000 0.533 176 V N 4.486 124.419 119.914 0.032 0.000 2.287 176 V HA 0.078 4.198 4.120 -0.000 0.000 0.246 176 V C 1.820 177.947 176.094 0.054 0.000 1.165 176 V CA 0.221 62.546 62.300 0.042 0.000 1.088 176 V CB -0.126 31.747 31.823 0.084 0.000 1.242 176 V HN 0.754 nan 8.190 nan 0.000 0.497 177 T N 0.485 115.065 114.554 0.042 0.000 3.072 177 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 177 T C 1.828 176.550 174.700 0.036 0.000 1.127 177 T CA 0.949 63.076 62.100 0.045 0.000 1.107 177 T CB 0.064 68.954 68.868 0.038 0.000 0.910 177 T HN 0.611 nan 8.240 nan 0.000 0.513 178 A N 1.411 124.245 122.820 0.025 0.000 2.070 178 A HA 0.454 4.774 4.320 -0.000 0.000 0.220 178 A C 2.513 180.113 177.584 0.026 0.000 1.159 178 A CA 1.171 53.216 52.037 0.013 0.000 0.656 178 A CB -0.974 18.021 19.000 -0.007 0.000 0.800 178 A HN 0.742 nan 8.150 nan 0.000 0.453 179 A N -0.538 122.312 122.820 0.050 0.000 2.259 179 A HA 0.578 4.898 4.320 -0.000 0.000 0.208 179 A C 1.228 178.861 177.584 0.082 0.000 1.201 179 A CA 0.525 52.605 52.037 0.072 0.000 0.824 179 A CB -0.960 18.103 19.000 0.104 0.000 0.838 179 A HN 0.975 nan 8.150 nan 0.000 0.485 180 A N -0.887 121.973 122.820 0.067 0.000 2.565 180 A HA 0.414 4.734 4.320 -0.000 0.000 0.237 180 A C 1.664 179.288 177.584 0.066 0.000 1.053 180 A CA 0.704 52.783 52.037 0.072 0.000 0.755 180 A CB -0.598 18.433 19.000 0.051 0.000 0.980 180 A HN 1.977 nan 8.150 nan 0.000 0.506 181 G N 0.404 109.251 108.800 0.079 0.000 2.162 181 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 181 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 181 G C 0.309 175.257 174.900 0.081 0.000 0.976 181 G CA 0.377 45.511 45.100 0.057 0.000 0.655 181 G HN 1.224 nan 8.290 nan 0.000 0.533 182 c N -0.846 117.836 118.600 0.137 0.000 2.668 182 c HA 0.942 5.512 4.570 -0.000 0.000 0.355 182 c C -0.016 174.274 174.090 0.334 0.000 1.277 182 c CA -0.899 55.534 56.329 0.172 0.000 1.787 182 c CB 1.859 44.442 42.510 0.123 0.000 2.233 182 c HN 0.532 nan 8.230 nan 0.000 0.495 183 W N 1.110 122.424 121.300 0.024 0.000 3.425 183 W HA 0.484 5.144 4.660 -0.000 0.000 0.318 183 W C -0.632 175.907 176.519 0.034 0.000 1.201 183 W CA 0.233 57.592 57.345 0.022 0.000 1.212 183 W CB 1.735 31.194 29.460 -0.002 0.000 1.355 183 W HN 1.241 nan 8.180 nan 0.000 0.515 184 S N 1.693 117.094 115.700 -0.498 0.000 3.461 184 S HA -0.169 4.301 4.470 -0.000 0.000 0.820 184 S C -1.792 172.732 174.600 -0.126 0.000 1.142 184 S CA -0.295 57.691 58.200 -0.357 0.000 1.078 184 S CB -1.194 61.911 63.200 -0.159 0.000 0.674 184 S HN 0.893 nan 8.310 nan 0.000 0.333 185 V N 2.852 122.695 119.914 -0.118 0.000 2.448 185 V HA 0.650 4.770 4.120 -0.000 0.000 0.295 185 V C 0.247 176.343 176.094 0.004 0.000 1.025 185 V CA -0.552 61.697 62.300 -0.084 0.000 0.859 185 V CB 1.381 33.035 31.823 -0.282 0.000 0.988 185 V HN 0.776 nan 8.190 nan 0.000 0.431 186 I N 6.805 127.428 120.570 0.089 0.000 2.464 186 I HA 0.354 4.524 4.170 -0.000 0.000 0.277 186 I C -2.569 173.583 176.117 0.058 0.000 1.040 186 I CA -1.889 59.460 61.300 0.082 0.000 1.153 186 I CB 1.926 40.005 38.000 0.131 0.000 1.274 186 I HN 0.407 nan 8.210 nan 0.000 0.469 187 P HA 0.071 nan 4.420 nan 0.000 0.268 187 P C -0.912 176.356 177.300 -0.053 0.000 1.205 187 P CA -0.175 62.951 63.100 0.044 0.000 0.771 187 P CB 0.474 32.193 31.700 0.032 0.000 0.858 188 Q N 4.260 123.995 119.800 -0.110 0.000 2.349 188 Q HA 0.152 4.492 4.340 -0.000 0.000 0.254 188 Q C -1.640 174.399 176.000 0.065 0.000 0.980 188 Q CA -1.589 54.085 55.803 -0.215 0.000 0.924 188 Q CB 0.744 29.275 28.738 -0.345 0.000 1.209 188 Q HN 0.355 nan 8.270 nan 0.000 0.445 189 P HA -0.156 nan 4.420 nan 0.000 0.225 189 P C 0.448 177.836 177.300 0.147 0.000 1.148 189 P CA 1.049 64.240 63.100 0.152 0.000 0.779 189 P CB 0.260 32.055 31.700 0.159 0.000 0.780 190 N N -1.205 117.621 118.700 0.211 0.000 2.280 190 N HA 0.011 4.750 4.740 -0.000 0.000 0.192 190 N C 0.263 175.844 175.510 0.117 0.000 1.109 190 N CA 0.210 53.351 53.050 0.152 0.000 0.855 190 N CB 0.097 38.685 38.487 0.170 0.000 0.974 190 N HN 0.080 nan 8.380 nan 0.000 0.482 191 R N 0.448 121.012 120.500 0.106 0.000 2.686 191 R HA 0.324 4.664 4.340 -0.000 0.000 0.283 191 R C -1.832 174.508 176.300 0.066 0.000 0.978 191 R CA -1.649 54.494 56.100 0.072 0.000 0.897 191 R CB 2.334 32.666 30.300 0.054 0.000 1.192 191 R HN -0.079 nan 8.270 nan 0.000 0.457 192 P HA -0.177 nan 4.420 nan 0.000 0.216 192 P C -0.098 177.264 177.300 0.104 0.000 1.153 192 P CA 1.524 64.669 63.100 0.076 0.000 0.848 192 P CB 0.301 32.043 31.700 0.071 0.000 0.787 193 R N -1.467 119.089 120.500 0.094 0.000 2.647 193 R HA 0.569 4.909 4.340 -0.000 0.000 0.295 193 R C -0.724 175.611 176.300 0.058 0.000 1.267 193 R CA -0.361 55.810 56.100 0.119 0.000 1.386 193 R CB 0.087 30.473 30.300 0.143 0.000 1.309 193 R HN -0.186 nan 8.270 nan 0.000 0.692 194 S N 1.276 117.003 115.700 0.044 0.000 2.542 194 S HA 0.819 5.289 4.470 -0.000 0.000 0.293 194 S C -0.969 173.635 174.600 0.007 0.000 1.089 194 S CA -0.680 57.477 58.200 -0.072 0.000 0.961 194 S CB 1.314 64.451 63.200 -0.106 0.000 1.062 194 S HN 0.425 nan 8.310 nan 0.000 0.483 195 F N -0.693 119.185 119.950 -0.118 0.000 2.713 195 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 195 F C -1.354 174.369 175.800 -0.129 0.000 1.141 195 F CA -1.330 56.588 58.000 -0.136 0.000 0.939 195 F CB 0.961 39.905 39.000 -0.093 0.000 1.325 195 F HN 0.417 nan 8.300 nan 0.000 0.453 196 M N 1.195 120.860 119.600 0.108 0.000 2.716 196 M HA 0.699 5.179 4.480 -0.000 0.000 0.307 196 M C -0.878 175.535 176.300 0.187 0.000 1.223 196 M CA -0.822 54.504 55.300 0.044 0.000 0.871 196 M CB 2.549 35.136 32.600 -0.021 0.000 1.739 196 M HN 0.845 nan 8.290 nan 0.000 0.475 197 T N 0.739 115.367 114.554 0.125 0.000 2.900 197 T HA 0.700 5.050 4.350 -0.000 0.000 0.303 197 T C -1.477 173.277 174.700 0.089 0.000 1.142 197 T CA -0.638 61.539 62.100 0.128 0.000 1.007 197 T CB 1.145 70.101 68.868 0.146 0.000 1.156 197 T HN 0.545 nan 8.240 nan 0.000 0.490 198 I N 3.074 123.702 120.570 0.097 0.000 2.365 198 I HA 0.404 4.573 4.170 -0.000 0.000 0.291 198 I C 0.210 176.388 176.117 0.102 0.000 1.004 198 I CA -0.633 60.714 61.300 0.077 0.000 1.311 198 I CB 0.826 38.864 38.000 0.063 0.000 1.401 198 I HN 0.575 nan 8.210 nan 0.000 0.491 199 c N 3.493 122.127 118.600 0.057 0.000 2.470 199 c HA 0.410 4.980 4.570 -0.000 0.000 0.341 199 c C 1.788 175.866 174.090 -0.020 0.000 1.190 199 c CA -0.601 55.745 56.329 0.029 0.000 1.904 199 c CB 1.269 43.779 42.510 -0.001 0.000 2.354 199 c HN 0.997 nan 8.230 nan 0.000 0.509 200 G N 0.614 109.396 108.800 -0.030 0.000 2.653 200 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.212 200 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.212 200 G C 0.691 175.503 174.900 -0.148 0.000 1.138 200 G CA 1.049 46.103 45.100 -0.076 0.000 0.782 200 G HN 0.936 nan 8.290 nan 0.000 0.535 201 D N -1.387 118.914 120.400 -0.165 0.000 2.340 201 D HA 0.211 4.851 4.640 -0.000 0.000 0.217 201 D C 1.625 177.717 176.300 -0.347 0.000 1.081 201 D CA 0.249 54.126 54.000 -0.205 0.000 0.842 201 D CB -0.407 40.310 40.800 -0.138 0.000 0.934 201 D HN 0.339 nan 8.370 nan 0.000 0.511 202 G N -0.872 107.612 108.800 -0.526 0.000 2.157 202 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.248 202 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.248 202 G C 0.561 175.112 174.900 -0.582 0.000 0.979 202 G CA 0.057 44.522 45.100 -1.058 0.000 0.650 202 G HN 0.830 nan 8.290 nan 0.000 0.529 203 G N -1.123 107.518 108.800 -0.265 0.000 2.887 203 G HA2 0.780 4.740 3.960 -0.000 0.000 0.277 203 G HA3 0.780 4.740 3.960 -0.000 0.000 0.277 203 G C -0.554 174.320 174.900 -0.044 0.000 1.346 203 G CA -1.092 43.938 45.100 -0.117 0.000 1.058 203 G HN 0.663 nan 8.290 nan 0.000 0.535 204 L N -0.225 120.988 121.223 -0.016 0.000 2.362 204 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 204 L C -1.042 175.825 176.870 -0.004 0.000 1.002 204 L CA -0.885 53.957 54.840 0.003 0.000 0.818 204 L CB 2.178 44.253 42.059 0.026 0.000 1.298 204 L HN 0.355 nan 8.230 nan 0.000 0.420 205 L N 2.005 123.225 121.223 -0.004 0.000 2.287 205 L HA 0.543 4.883 4.340 -0.000 0.000 0.287 205 L C -0.277 176.551 176.870 -0.071 0.000 1.022 205 L CA 0.383 55.205 54.840 -0.029 0.000 0.814 205 L CB 1.678 43.728 42.059 -0.015 0.000 1.217 205 L HN 0.491 nan 8.230 nan 0.000 0.420 206 T N 6.398 120.887 114.554 -0.109 0.000 2.795 206 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 206 T C -0.309 174.217 174.700 -0.290 0.000 0.980 206 T CA -0.233 61.751 62.100 -0.194 0.000 1.012 206 T CB 0.828 69.614 68.868 -0.137 0.000 0.936 206 T HN 0.325 nan 8.240 nan 0.000 0.457 207 I N 4.111 124.355 120.570 -0.543 0.000 2.418 207 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 207 I C -0.331 175.430 176.117 -0.593 0.000 1.008 207 I CA -0.867 60.058 61.300 -0.626 0.000 1.104 207 I CB 1.672 39.087 38.000 -0.975 0.000 1.264 207 I HN 0.544 nan 8.210 nan 0.000 0.438 208 N N 7.625 126.124 118.700 -0.334 0.000 2.476 208 N HA 0.468 5.208 4.740 -0.000 0.000 0.257 208 N C -0.446 174.949 175.510 -0.191 0.000 0.970 208 N CA -0.474 52.438 53.050 -0.229 0.000 0.938 208 N CB 2.390 40.791 38.487 -0.143 0.000 1.144 208 N HN 0.435 nan 8.380 nan 0.000 0.500 209 L N 0.652 121.767 121.223 -0.179 0.000 2.439 209 L HA 0.486 4.826 4.340 -0.000 0.000 0.261 209 L C 1.520 178.299 176.870 -0.150 0.000 1.153 209 L CA -0.659 54.066 54.840 -0.192 0.000 0.808 209 L CB 0.641 42.529 42.059 -0.285 0.000 1.126 209 L HN 0.411 nan 8.230 nan 0.000 0.460 210 G N -0.185 108.521 108.800 -0.156 0.000 2.535 210 G HA2 0.203 4.163 3.960 -0.000 0.000 0.303 210 G HA3 0.203 4.163 3.960 -0.000 0.000 0.303 210 G C 0.598 175.463 174.900 -0.058 0.000 1.237 210 G CA -0.400 44.650 45.100 -0.084 0.000 0.986 210 G HN 0.767 nan 8.290 nan 0.000 0.494 211 E N 0.256 120.472 120.200 0.027 0.000 2.267 211 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 211 E C 1.043 177.767 176.600 0.206 0.000 0.998 211 E CA 1.402 57.877 56.400 0.125 0.000 0.830 211 E CB 0.064 29.816 29.700 0.086 0.000 0.751 211 E HN 0.666 nan 8.360 nan 0.000 0.491 212 D N -0.663 119.788 120.400 0.086 0.000 2.349 212 D HA 0.084 4.724 4.640 -0.000 0.000 0.214 212 D C 1.347 177.653 176.300 0.009 0.000 1.063 212 D CA 0.581 54.644 54.000 0.105 0.000 0.847 212 D CB 0.412 41.236 40.800 0.039 0.000 0.933 212 D HN 0.214 nan 8.370 nan 0.000 0.513 213 G N 0.300 108.885 108.800 -0.360 0.000 2.175 213 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 213 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 213 G C 0.208 174.872 174.900 -0.395 0.000 0.982 213 G CA 0.111 44.746 45.100 -0.775 0.000 0.641 213 G HN 0.444 nan 8.290 nan 0.000 0.527 214 K N 0.098 120.359 120.400 -0.231 0.000 2.090 214 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 214 K C 0.562 177.073 176.600 -0.148 0.000 0.995 214 K CA -0.774 55.420 56.287 -0.154 0.000 0.914 214 K CB 1.994 34.437 32.500 -0.094 0.000 1.057 214 K HN 0.004 nan 8.250 nan 0.000 0.462 215 V N 2.479 122.325 119.914 -0.113 0.000 2.485 215 V HA -0.043 4.077 4.120 -0.000 0.000 0.287 215 V C 0.978 177.015 176.094 -0.095 0.000 1.022 215 V CA 0.529 62.763 62.300 -0.111 0.000 1.067 215 V CB 0.588 32.357 31.823 -0.090 0.000 0.967 215 V HN 0.996 nan 8.190 nan 0.000 0.479 216 A N 4.417 127.176 122.820 -0.102 0.000 1.997 216 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 216 A C 0.954 178.496 177.584 -0.070 0.000 1.178 216 A CA 0.873 52.864 52.037 -0.076 0.000 0.698 216 A CB 0.161 19.118 19.000 -0.071 0.000 0.842 216 A HN 1.085 nan 8.150 nan 0.000 0.458 217 S N -1.523 114.124 115.700 -0.089 0.000 2.595 217 S HA 0.556 5.025 4.470 -0.000 0.000 0.270 217 S C -1.182 173.354 174.600 -0.107 0.000 1.145 217 S CA -0.302 57.850 58.200 -0.080 0.000 0.825 217 S CB 0.798 63.959 63.200 -0.064 0.000 1.107 217 S HN 0.884 nan 8.310 nan 0.000 0.461 218 Q N -0.212 119.534 119.800 -0.091 0.000 2.590 218 Q HA 0.844 5.184 4.340 -0.000 0.000 0.295 218 Q C -1.449 174.506 176.000 -0.075 0.000 0.973 218 Q CA -1.008 54.731 55.803 -0.105 0.000 0.768 218 Q CB 1.773 30.450 28.738 -0.101 0.000 1.479 218 Q HN 1.468 nan 8.270 nan 0.000 0.419 219 S N -0.107 115.549 115.700 -0.074 0.000 2.552 219 S HA 0.664 5.134 4.470 -0.000 0.000 0.272 219 S C -1.379 173.196 174.600 -0.042 0.000 1.150 219 S CA -1.056 57.116 58.200 -0.047 0.000 0.849 219 S CB 2.068 65.247 63.200 -0.035 0.000 1.113 219 S HN 0.697 nan 8.310 nan 0.000 0.458 220 R N 1.208 121.691 120.500 -0.028 0.000 2.534 220 R HA 0.650 4.990 4.340 -0.000 0.000 0.301 220 R C 0.180 176.473 176.300 -0.013 0.000 0.961 220 R CA -0.442 55.644 56.100 -0.024 0.000 0.871 220 R CB 2.122 32.405 30.300 -0.027 0.000 1.170 220 R HN 0.967 nan 8.270 nan 0.000 0.446 221 S N 2.195 117.892 115.700 -0.005 0.000 2.655 221 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 221 S C 0.170 174.767 174.600 -0.006 0.000 1.240 221 S CA -0.665 57.540 58.200 0.009 0.000 0.986 221 S CB 1.128 64.346 63.200 0.031 0.000 0.985 221 S HN 0.429 nan 8.310 nan 0.000 0.562 222 K N 0.132 120.534 120.400 0.003 0.000 2.118 222 K HA 0.175 4.495 4.320 -0.000 0.000 0.240 222 K C 0.239 176.822 176.600 -0.029 0.000 1.035 222 K CA -0.512 55.769 56.287 -0.010 0.000 0.899 222 K CB 0.180 32.684 32.500 0.007 0.000 1.085 222 K HN 0.692 nan 8.250 nan 0.000 0.498 223 Q N 1.505 121.272 119.800 -0.056 0.000 2.274 223 Q HA -0.074 4.266 4.340 -0.000 0.000 0.280 223 Q C 0.529 176.490 176.000 -0.066 0.000 1.047 223 Q CA 0.215 55.950 55.803 -0.113 0.000 0.907 223 Q CB 0.660 29.316 28.738 -0.137 0.000 1.171 223 Q HN 0.592 nan 8.270 nan 0.000 0.381 224 M N 5.048 124.595 119.600 -0.089 0.000 2.412 224 M HA 0.172 4.652 4.480 -0.000 0.000 0.263 224 M C -0.614 175.679 176.300 -0.012 0.000 1.122 224 M CA 0.664 55.989 55.300 0.042 0.000 1.179 224 M CB 0.546 33.212 32.600 0.110 0.000 1.335 224 M HN 0.616 nan 8.290 nan 0.000 0.465 225 F N -1.539 118.189 119.950 -0.371 0.000 2.603 225 F HA 0.619 5.146 4.527 -0.000 0.000 0.317 225 F C -0.570 175.059 175.800 -0.284 0.000 1.066 225 F CA -1.340 56.320 58.000 -0.567 0.000 0.941 225 F CB 1.036 39.398 39.000 -1.065 0.000 1.291 225 F HN -0.232 nan 8.300 nan 0.000 0.472 226 S N 1.651 117.255 115.700 -0.160 0.000 2.422 226 S HA 0.270 4.740 4.470 -0.000 0.000 0.283 226 S C 0.790 175.312 174.600 -0.130 0.000 1.163 226 S CA -0.575 57.520 58.200 -0.175 0.000 1.054 226 S CB 0.639 63.824 63.200 -0.025 0.000 0.967 226 S HN 0.637 nan 8.310 nan 0.000 0.499 227 V N 6.357 126.072 119.914 -0.332 0.000 2.392 227 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 227 V C 2.521 178.564 176.094 -0.084 0.000 1.059 227 V CA 2.255 64.459 62.300 -0.161 0.000 1.051 227 V CB -0.616 31.064 31.823 -0.239 0.000 0.658 227 V HN 0.882 nan 8.190 nan 0.000 0.455 228 K N -0.229 120.118 120.400 -0.087 0.000 2.021 228 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 228 K C 1.657 178.256 176.600 -0.001 0.000 1.047 228 K CA 1.609 57.863 56.287 -0.055 0.000 0.943 228 K CB -0.076 32.392 32.500 -0.053 0.000 0.725 228 K HN 0.429 nan 8.250 nan 0.000 0.439 229 D N -0.058 120.359 120.400 0.029 0.000 2.333 229 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 229 D C -0.180 176.253 176.300 0.221 0.000 0.984 229 D CA 0.747 54.800 54.000 0.088 0.000 0.873 229 D CB 0.452 41.279 40.800 0.045 0.000 0.935 229 D HN 0.161 nan 8.370 nan 0.000 0.521 230 D N 0.116 120.635 120.400 0.198 0.000 3.285 230 D HA 0.107 4.747 4.640 -0.000 0.000 0.273 230 D C -2.703 173.648 176.300 0.084 0.000 1.295 230 D CA -1.396 52.766 54.000 0.270 0.000 0.762 230 D CB 1.164 42.183 40.800 0.364 0.000 1.379 230 D HN -0.117 nan 8.370 nan 0.000 0.612 231 P HA 0.146 nan 4.420 nan 0.000 0.268 231 P C 0.249 177.216 177.300 -0.554 0.000 1.205 231 P CA -0.219 62.651 63.100 -0.383 0.000 0.771 231 P CB 0.885 32.114 31.700 -0.786 0.000 0.858 232 I N -1.021 119.088 120.570 -0.769 0.000 2.676 232 I HA 0.489 4.659 4.170 -0.000 0.000 0.309 232 I C -0.062 175.914 176.117 -0.235 0.000 0.990 232 I CA -1.319 59.689 61.300 -0.487 0.000 1.168 232 I CB 0.682 38.220 38.000 -0.770 0.000 1.343 232 I HN -0.000 nan 8.210 nan 0.000 0.482 233 F N 3.154 123.118 119.950 0.023 0.000 2.418 233 F HA 0.277 4.804 4.527 -0.000 0.000 0.341 233 F C 1.555 177.425 175.800 0.117 0.000 1.120 233 F CA -0.397 57.672 58.000 0.115 0.000 1.232 233 F CB 0.977 40.061 39.000 0.140 0.000 1.175 233 F HN 0.523 nan 8.300 nan 0.000 0.569 234 I N 0.292 121.023 120.570 0.268 0.000 2.676 234 I HA 0.130 4.300 4.170 -0.000 0.000 0.259 234 I C 1.088 177.422 176.117 0.361 0.000 1.194 234 I CA 0.213 61.664 61.300 0.251 0.000 1.473 234 I CB -0.695 37.386 38.000 0.134 0.000 1.096 234 I HN 0.437 nan 8.210 nan 0.000 0.443 235 A N 4.547 127.579 122.820 0.352 0.000 2.515 235 A HA 0.341 4.661 4.320 -0.000 0.000 0.263 235 A C -2.202 175.467 177.584 0.141 0.000 1.096 235 A CA -0.868 51.329 52.037 0.268 0.000 0.769 235 A CB -0.787 18.372 19.000 0.264 0.000 1.040 235 A HN 0.309 nan 8.150 nan 0.000 0.505 236 P HA 0.454 nan 4.420 nan 0.000 0.287 236 P C -0.745 176.446 177.300 -0.181 0.000 1.270 236 P CA -0.481 62.410 63.100 -0.348 0.000 0.844 236 P CB 1.760 33.237 31.700 -0.372 0.000 1.068 237 A N 3.299 125.994 122.820 -0.209 0.000 2.582 237 A HA 0.364 4.684 4.320 -0.000 0.000 0.336 237 A C -0.330 177.251 177.584 -0.004 0.000 1.445 237 A CA -0.511 51.511 52.037 -0.024 0.000 0.997 237 A CB -0.763 18.271 19.000 0.057 0.000 1.148 237 A HN 0.491 nan 8.150 nan 0.000 0.514 238 L N 2.323 123.550 121.223 0.007 0.000 2.313 238 L HA 0.376 4.716 4.340 -0.000 0.000 0.282 238 L C -0.054 176.862 176.870 0.076 0.000 1.092 238 L CA 0.292 55.159 54.840 0.046 0.000 0.831 238 L CB 0.635 42.733 42.059 0.065 0.000 1.159 238 L HN 0.665 nan 8.230 nan 0.000 0.442 239 D N 2.389 122.831 120.400 0.070 0.000 2.549 239 D HA 0.156 4.796 4.640 -0.000 0.000 0.270 239 D C 0.670 177.000 176.300 0.050 0.000 1.181 239 D CA -0.405 53.620 54.000 0.042 0.000 1.070 239 D CB 1.597 42.403 40.800 0.010 0.000 1.154 239 D HN 0.542 nan 8.370 nan 0.000 0.602 240 K N -0.573 119.833 120.400 0.010 0.000 2.057 240 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 240 K C 0.588 177.194 176.600 0.009 0.000 1.049 240 K CA 1.755 58.065 56.287 0.038 0.000 0.931 240 K CB 0.163 32.669 32.500 0.009 0.000 0.714 240 K HN 0.383 nan 8.250 nan 0.000 0.440 241 D N -0.445 119.797 120.400 -0.263 0.000 2.563 241 D HA 0.046 4.686 4.640 -0.000 0.000 0.237 241 D C -0.720 174.704 176.300 -1.461 0.000 1.282 241 D CA -0.386 53.173 54.000 -0.735 0.000 0.816 241 D CB 0.158 40.746 40.800 -0.353 0.000 1.066 241 D HN 0.304 nan 8.370 nan 0.000 0.501 242 K N -1.089 118.695 120.400 -1.028 0.000 2.575 242 K HA 0.772 5.092 4.320 -0.000 0.000 0.279 242 K C -1.883 174.584 176.600 -0.221 0.000 0.969 242 K CA -1.114 54.764 56.287 -0.681 0.000 0.868 242 K CB 1.931 34.188 32.500 -0.404 0.000 1.457 242 K HN -0.044 nan 8.250 nan 0.000 0.426 243 A N 1.942 124.703 122.820 -0.099 0.000 2.393 243 A HA 0.601 4.921 4.320 -0.000 0.000 0.306 243 A C -1.436 175.916 177.584 -0.386 0.000 1.050 243 A CA -0.781 51.159 52.037 -0.161 0.000 0.724 243 A CB 0.988 20.023 19.000 0.058 0.000 1.248 243 A HN 0.734 nan 8.150 nan 0.000 0.424 244 H N 0.713 119.662 119.070 -0.202 0.000 2.492 244 H HA 0.677 5.233 4.556 -0.000 0.000 0.345 244 H C -1.532 173.570 175.328 -0.378 0.000 1.136 244 H CA -0.158 55.841 56.048 -0.081 0.000 1.202 244 H CB 1.562 31.338 29.762 0.023 0.000 1.524 244 H HN 0.534 nan 8.280 nan 0.000 0.506 245 F N 0.441 120.517 119.950 0.210 0.000 2.576 245 F HA 0.352 4.879 4.527 -0.000 0.000 0.313 245 F C 0.157 176.021 175.800 0.107 0.000 1.078 245 F CA -1.109 56.971 58.000 0.134 0.000 0.921 245 F CB 1.788 40.835 39.000 0.078 0.000 1.232 245 F HN 0.248 nan 8.300 nan 0.000 0.459 246 V N -0.483 119.587 119.914 0.261 0.000 2.769 246 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 246 V C -0.195 176.104 176.094 0.340 0.000 1.058 246 V CA -0.711 61.691 62.300 0.169 0.000 0.952 246 V CB 1.304 33.127 31.823 0.000 0.000 1.019 246 V HN 0.875 nan 8.190 nan 0.000 0.445 247 S N 2.325 118.200 115.700 0.292 0.000 2.722 247 S HA 0.481 4.951 4.470 -0.000 0.000 0.292 247 S C 0.578 175.391 174.600 0.354 0.000 1.135 247 S CA -0.578 57.794 58.200 0.287 0.000 1.003 247 S CB 0.909 64.271 63.200 0.271 0.000 1.067 247 S HN 0.718 nan 8.310 nan 0.000 0.546 248 Y N -0.627 119.555 120.300 -0.198 0.000 2.384 248 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 248 Y C 0.959 176.620 175.900 -0.399 0.000 1.152 248 Y CA 1.044 58.907 58.100 -0.394 0.000 1.258 248 Y CB -0.216 37.731 38.460 -0.855 0.000 0.979 248 Y HN 0.704 nan 8.280 nan 0.000 0.549 249 Y N -1.138 119.291 120.300 0.215 0.000 2.555 249 Y HA 0.319 4.869 4.550 -0.000 0.000 0.259 249 Y C 1.463 177.412 175.900 0.081 0.000 1.179 249 Y CA 0.045 58.218 58.100 0.121 0.000 1.230 249 Y CB 0.825 39.346 38.460 0.102 0.000 1.146 249 Y HN 0.098 nan 8.280 nan 0.000 0.526 250 G N 0.442 109.339 108.800 0.161 0.000 2.132 250 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.234 250 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.234 250 G C -0.220 174.679 174.900 -0.001 0.000 0.989 250 G CA -0.355 44.782 45.100 0.061 0.000 0.676 250 G HN 0.287 nan 8.290 nan 0.000 0.522 251 N N -0.714 117.997 118.700 0.019 0.000 2.482 251 N HA 0.670 5.410 4.740 -0.000 0.000 0.279 251 N C -0.108 175.227 175.510 -0.292 0.000 1.182 251 N CA -0.203 52.757 53.050 -0.151 0.000 0.969 251 N CB 1.987 40.424 38.487 -0.083 0.000 1.201 251 N HN 0.127 nan 8.380 nan 0.000 0.523 252 V N 1.660 121.173 119.914 -0.668 0.000 2.540 252 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 252 V C -1.113 174.656 176.094 -0.542 0.000 1.035 252 V CA -0.646 61.250 62.300 -0.673 0.000 0.873 252 V CB 0.873 31.818 31.823 -1.463 0.000 0.992 252 V HN 0.505 nan 8.190 nan 0.000 0.428 253 Y N 1.512 121.848 120.300 0.059 0.000 2.562 253 Y HA 0.744 5.294 4.550 -0.000 0.000 0.343 253 Y C 0.462 176.582 175.900 0.367 0.000 1.025 253 Y CA -0.645 57.583 58.100 0.214 0.000 1.082 253 Y CB 2.499 41.072 38.460 0.188 0.000 1.264 253 Y HN 0.699 nan 8.280 nan 0.000 0.478 254 S N 0.516 116.514 115.700 0.496 0.000 2.549 254 S HA 0.929 5.399 4.470 -0.000 0.000 0.280 254 S C -1.287 173.506 174.600 0.321 0.000 1.109 254 S CA -0.931 57.497 58.200 0.379 0.000 0.905 254 S CB 1.886 65.275 63.200 0.315 0.000 1.081 254 S HN 0.936 nan 8.310 nan 0.000 0.477 255 A N 1.616 124.609 122.820 0.288 0.000 2.363 255 A HA 0.596 4.916 4.320 -0.000 0.000 0.296 255 A C -0.864 176.841 177.584 0.203 0.000 1.237 255 A CA -0.551 51.663 52.037 0.295 0.000 0.773 255 A CB 0.618 19.876 19.000 0.430 0.000 1.153 255 A HN 0.827 nan 8.150 nan 0.000 0.473 256 D N 3.101 123.568 120.400 0.111 0.000 2.313 256 D HA 0.361 5.001 4.640 -0.000 0.000 0.239 256 D C -0.421 175.908 176.300 0.048 0.000 1.142 256 D CA -0.202 53.776 54.000 -0.037 0.000 0.847 256 D CB 0.415 41.199 40.800 -0.027 0.000 1.082 256 D HN 0.426 nan 8.370 nan 0.000 0.480 257 F N 1.611 121.579 119.950 0.031 0.000 2.855 257 F HA 0.223 4.750 4.527 -0.000 0.000 0.317 257 F C 1.565 177.375 175.800 0.018 0.000 1.169 257 F CA -0.721 57.294 58.000 0.026 0.000 1.299 257 F CB -0.327 38.692 39.000 0.031 0.000 0.962 257 F HN 0.160 nan 8.300 nan 0.000 0.506 258 S N -0.648 115.005 115.700 -0.078 0.000 2.428 258 S HA 0.216 4.686 4.470 -0.000 0.000 0.230 258 S C 1.206 175.825 174.600 0.031 0.000 1.014 258 S CA 0.433 58.603 58.200 -0.049 0.000 0.957 258 S CB -0.630 62.519 63.200 -0.085 0.000 0.784 258 S HN 0.523 nan 8.310 nan 0.000 0.499 259 G N 0.375 109.204 108.800 0.049 0.000 2.613 259 G HA2 0.416 4.376 3.960 -0.000 0.000 0.303 259 G HA3 0.416 4.376 3.960 -0.000 0.000 0.303 259 G C -0.230 174.712 174.900 0.069 0.000 1.312 259 G CA -0.356 44.773 45.100 0.049 0.000 1.036 259 G HN 0.106 nan 8.290 nan 0.000 0.513 260 D N -0.311 120.117 120.400 0.046 0.000 2.269 260 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 260 D C 0.528 176.850 176.300 0.037 0.000 0.963 260 D CA 1.068 55.090 54.000 0.037 0.000 0.864 260 D CB 0.516 41.327 40.800 0.018 0.000 0.936 260 D HN 0.440 nan 8.370 nan 0.000 0.505 261 E N 0.427 120.653 120.200 0.043 0.000 2.199 261 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 261 E C -0.649 175.994 176.600 0.071 0.000 0.899 261 E CA -0.667 55.758 56.400 0.042 0.000 0.772 261 E CB 3.148 32.864 29.700 0.027 0.000 1.155 261 E HN -0.238 nan 8.360 nan 0.000 0.408 262 V N 3.981 123.945 119.914 0.084 0.000 2.521 262 V HA 0.034 4.154 4.120 -0.000 0.000 0.286 262 V C 0.177 176.330 176.094 0.098 0.000 1.034 262 V CA -0.004 62.370 62.300 0.124 0.000 1.045 262 V CB 0.195 32.100 31.823 0.136 0.000 0.974 262 V HN 0.447 nan 8.190 nan 0.000 0.480 263 K N 4.685 125.146 120.400 0.102 0.000 2.213 263 K HA 0.563 4.883 4.320 -0.000 0.000 0.270 263 K C -0.446 176.222 176.600 0.114 0.000 1.002 263 K CA -0.404 55.935 56.287 0.087 0.000 0.868 263 K CB 1.889 34.429 32.500 0.066 0.000 1.093 263 K HN 0.577 nan 8.250 nan 0.000 0.454 264 V N -1.119 118.866 119.914 0.118 0.000 2.769 264 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 264 V C -0.422 175.775 176.094 0.171 0.000 1.058 264 V CA -0.684 61.711 62.300 0.159 0.000 0.952 264 V CB 1.989 33.902 31.823 0.151 0.000 1.019 264 V HN 0.694 nan 8.190 nan 0.000 0.445 265 D N 0.086 120.624 120.400 0.231 0.000 2.599 265 D HA 0.795 5.435 4.640 -0.000 0.000 0.252 265 D C -0.263 176.218 176.300 0.302 0.000 1.232 265 D CA 0.968 55.106 54.000 0.229 0.000 0.819 265 D CB 2.115 43.024 40.800 0.183 0.000 1.401 265 D HN 1.525 nan 8.370 nan 0.000 0.429 266 G N 0.625 109.562 108.800 0.229 0.000 2.355 266 G HA2 0.267 4.227 3.960 -0.000 0.000 0.619 266 G HA3 0.267 4.227 3.960 -0.000 0.000 0.619 266 G C -3.019 171.904 174.900 0.040 0.000 1.337 266 G CA -0.535 44.608 45.100 0.073 0.000 0.993 266 G HN 0.476 nan 8.290 nan 0.000 0.599 267 P HA 0.717 nan 4.420 nan 0.000 0.287 267 P C -0.920 176.341 177.300 -0.066 0.000 1.292 267 P CA -0.733 62.052 63.100 -0.524 0.000 0.879 267 P CB 1.309 32.481 31.700 -0.880 0.000 1.214 268 W N -0.776 120.407 121.300 -0.194 0.000 2.915 268 W HA 0.535 5.195 4.660 -0.000 0.000 0.337 268 W C -1.145 175.339 176.519 -0.059 0.000 1.102 268 W CA -1.104 56.191 57.345 -0.084 0.000 1.224 268 W CB 0.942 30.370 29.460 -0.054 0.000 1.416 268 W HN 0.279 nan 8.180 nan 0.000 0.503 269 S N 1.772 117.588 115.700 0.194 0.000 2.565 269 S HA 0.324 4.794 4.470 -0.000 0.000 0.274 269 S C 0.795 175.483 174.600 0.147 0.000 1.309 269 S CA -0.506 57.740 58.200 0.076 0.000 1.043 269 S CB 0.969 64.234 63.200 0.109 0.000 0.939 269 S HN 0.546 nan 8.310 nan 0.000 0.504 270 L N 3.690 124.927 121.223 0.024 0.000 2.418 270 L HA 0.230 4.570 4.340 -0.000 0.000 0.218 270 L C 0.025 177.062 176.870 0.279 0.000 1.125 270 L CA 0.355 55.277 54.840 0.138 0.000 0.835 270 L CB -0.220 41.889 42.059 0.082 0.000 0.953 270 L HN 0.489 nan 8.230 nan 0.000 0.454 271 L N 0.403 121.763 121.223 0.229 0.000 2.325 271 L HA 0.301 4.641 4.340 -0.000 0.000 0.279 271 L C -0.186 176.764 176.870 0.133 0.000 1.054 271 L CA -0.787 54.192 54.840 0.231 0.000 0.804 271 L CB 0.806 43.002 42.059 0.228 0.000 1.200 271 L HN 0.127 nan 8.230 nan 0.000 0.436 272 N N -0.359 118.386 118.700 0.074 0.000 2.530 272 N HA 0.189 4.929 4.740 -0.000 0.000 0.283 272 N C 0.158 175.701 175.510 0.054 0.000 1.238 272 N CA -0.718 52.352 53.050 0.034 0.000 0.971 272 N CB 0.477 38.945 38.487 -0.031 0.000 1.195 272 N HN 0.412 nan 8.380 nan 0.000 0.583 273 D N -0.417 120.007 120.400 0.039 0.000 2.116 273 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 273 D C 1.287 177.626 176.300 0.066 0.000 0.998 273 D CA 1.507 55.537 54.000 0.050 0.000 0.836 273 D CB -0.237 40.583 40.800 0.033 0.000 0.951 273 D HN 0.705 nan 8.370 nan 0.000 0.449 274 E N 0.511 120.740 120.200 0.047 0.000 2.058 274 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 274 E C 1.605 178.285 176.600 0.133 0.000 0.997 274 E CA 1.277 57.716 56.400 0.065 0.000 0.801 274 E CB -0.027 29.683 29.700 0.016 0.000 0.746 274 E HN 0.221 nan 8.360 nan 0.000 0.450 275 D N 0.200 120.671 120.400 0.118 0.000 2.104 275 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 275 D C 1.774 178.286 176.300 0.353 0.000 0.994 275 D CA 1.224 55.375 54.000 0.252 0.000 0.830 275 D CB -0.229 40.716 40.800 0.241 0.000 0.959 275 D HN 0.187 nan 8.370 nan 0.000 0.452 276 K N 0.830 121.365 120.400 0.225 0.000 2.103 276 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 276 K C 2.158 178.856 176.600 0.164 0.000 1.048 276 K CA 1.177 57.574 56.287 0.183 0.000 0.930 276 K CB -0.101 32.474 32.500 0.124 0.000 0.716 276 K HN 0.048 nan 8.250 nan 0.000 0.444 277 A N 1.655 124.569 122.820 0.157 0.000 1.969 277 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 277 A C 1.619 179.289 177.584 0.143 0.000 1.169 277 A CA 1.313 53.426 52.037 0.127 0.000 0.635 277 A CB -0.107 18.958 19.000 0.109 0.000 0.810 277 A HN 0.148 nan 8.150 nan 0.000 0.445 278 K N -0.288 120.247 120.400 0.226 0.000 2.417 278 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 278 K C -0.437 176.207 176.600 0.074 0.000 1.023 278 K CA 0.051 56.448 56.287 0.183 0.000 1.122 278 K CB 0.052 32.750 32.500 0.331 0.000 0.850 278 K HN 0.467 nan 8.250 nan 0.000 0.521 279 N N 0.550 119.331 118.700 0.134 0.000 2.740 279 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 279 N C -1.181 174.337 175.510 0.013 0.000 1.062 279 N CA 0.790 53.883 53.050 0.072 0.000 0.704 279 N CB -1.366 37.127 38.487 0.011 0.000 0.968 279 N HN 0.241 nan 8.380 nan 0.000 0.547 280 W N 0.571 121.877 121.300 0.010 0.000 2.216 280 W HA 0.392 5.052 4.660 -0.000 0.000 0.326 280 W C 1.096 177.486 176.519 -0.215 0.000 1.319 280 W CA -0.130 57.155 57.345 -0.101 0.000 1.213 280 W CB 0.717 30.182 29.460 0.008 0.000 1.171 280 W HN 0.064 nan 8.180 nan 0.000 0.557 281 V N 1.522 121.299 119.914 -0.228 0.000 3.188 281 V HA 0.677 4.797 4.120 -0.000 0.000 0.305 281 V C -2.889 172.955 176.094 -0.417 0.000 1.232 281 V CA -3.453 58.689 62.300 -0.263 0.000 1.043 281 V CB 1.780 33.482 31.823 -0.200 0.000 1.068 281 V HN 0.229 nan 8.190 nan 0.000 0.439 282 P HA 0.628 nan 4.420 nan 0.000 0.274 282 P C -0.213 177.038 177.300 -0.082 0.000 1.237 282 P CA 0.285 63.237 63.100 -0.246 0.000 0.793 282 P CB 1.044 32.554 31.700 -0.317 0.000 0.977 283 G N -0.542 108.238 108.800 -0.032 0.000 2.768 283 G HA2 0.624 4.583 3.960 -0.000 0.000 0.297 283 G HA3 0.624 4.583 3.960 -0.000 0.000 0.297 283 G C -0.884 174.054 174.900 0.062 0.000 1.430 283 G CA -0.110 45.090 45.100 0.168 0.000 1.030 283 G HN 0.794 nan 8.290 nan 0.000 0.553 284 G N -0.164 108.649 108.800 0.021 0.000 2.302 284 G HA2 0.343 4.303 3.960 -0.000 0.000 0.276 284 G HA3 0.343 4.303 3.960 -0.000 0.000 0.276 284 G C -0.509 174.342 174.900 -0.081 0.000 1.316 284 G CA 0.083 45.207 45.100 0.040 0.000 0.988 284 G HN 0.724 nan 8.290 nan 0.000 0.479 285 Y N -0.022 120.389 120.300 0.184 0.000 2.893 285 Y HA 0.395 4.945 4.550 -0.000 0.000 0.195 285 Y C 1.737 177.793 175.900 0.259 0.000 0.964 285 Y CA 0.326 58.537 58.100 0.185 0.000 1.596 285 Y CB 0.220 38.581 38.460 -0.164 0.000 1.247 285 Y HN 0.321 nan 8.280 nan 0.000 0.464 286 N N 2.998 121.897 118.700 0.330 0.000 3.245 286 N HA 0.111 4.851 4.740 -0.000 0.000 0.296 286 N C 0.812 176.432 175.510 0.183 0.000 1.254 286 N CA 0.153 53.357 53.050 0.257 0.000 1.190 286 N CB 0.073 38.669 38.487 0.181 0.000 1.460 286 N HN 0.483 nan 8.380 nan 0.000 0.538 287 L N -1.062 120.238 121.223 0.127 0.000 2.599 287 L HA 0.190 4.530 4.340 -0.000 0.000 0.230 287 L C 0.330 177.001 176.870 -0.332 0.000 1.141 287 L CA 0.182 54.992 54.840 -0.050 0.000 0.877 287 L CB -0.029 41.984 42.059 -0.077 0.000 1.009 287 L HN -0.097 nan 8.230 nan 0.000 0.447 288 V N -2.633 117.169 119.914 -0.187 0.000 3.074 288 V HA 1.040 5.160 4.120 -0.000 0.000 0.314 288 V C -0.074 175.970 176.094 -0.084 0.000 1.117 288 V CA 0.049 62.247 62.300 -0.170 0.000 1.014 288 V CB 1.268 33.029 31.823 -0.104 0.000 1.057 288 V HN 0.116 nan 8.190 nan 0.000 0.438 289 G N 0.833 109.625 108.800 -0.015 0.000 2.720 289 G HA2 0.672 4.632 3.960 -0.000 0.000 0.295 289 G HA3 0.672 4.632 3.960 -0.000 0.000 0.295 289 G C -2.294 172.708 174.900 0.170 0.000 1.437 289 G CA -0.723 44.409 45.100 0.054 0.000 0.886 289 G HN 1.256 nan 8.290 nan 0.000 0.509 290 L N 0.948 122.267 121.223 0.159 0.000 2.409 290 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 290 L C -0.594 176.403 176.870 0.212 0.000 0.980 290 L CA -0.817 54.145 54.840 0.204 0.000 0.826 290 L CB 1.938 44.087 42.059 0.150 0.000 1.268 290 L HN 0.722 nan 8.230 nan 0.000 0.407 291 H N 5.074 124.261 119.070 0.195 0.000 2.820 291 H HA 0.295 4.851 4.556 -0.000 0.000 0.278 291 H C 0.556 175.936 175.328 0.087 0.000 1.142 291 H CA -0.111 56.016 56.048 0.130 0.000 1.346 291 H CB 0.864 30.752 29.762 0.210 0.000 1.438 291 H HN 0.766 nan 8.280 nan 0.000 0.473 292 R N 2.940 123.335 120.500 -0.174 0.000 2.096 292 R HA -0.174 4.165 4.340 -0.000 0.000 0.240 292 R C 2.283 178.497 176.300 -0.144 0.000 1.139 292 R CA 1.670 57.697 56.100 -0.121 0.000 0.952 292 R CB -0.158 30.082 30.300 -0.101 0.000 0.854 292 R HN 0.613 nan 8.270 nan 0.000 0.436 293 A N 0.960 123.598 122.820 -0.303 0.000 1.908 293 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 293 A C 2.212 179.802 177.584 0.010 0.000 1.181 293 A CA 2.207 54.160 52.037 -0.140 0.000 0.627 293 A CB -0.480 18.435 19.000 -0.143 0.000 0.818 293 A HN 0.488 nan 8.150 nan 0.000 0.445 294 S N -2.940 112.850 115.700 0.150 0.000 2.492 294 S HA 0.397 4.867 4.470 -0.000 0.000 0.218 294 S C 1.484 176.153 174.600 0.115 0.000 1.016 294 S CA 1.143 59.460 58.200 0.195 0.000 0.916 294 S CB 0.026 63.412 63.200 0.310 0.000 0.791 294 S HN 1.980 nan 8.310 nan 0.000 0.513 295 G N 1.525 110.392 108.800 0.111 0.000 2.159 295 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 295 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 295 G C 0.052 174.979 174.900 0.044 0.000 0.977 295 G CA -0.088 45.050 45.100 0.063 0.000 0.652 295 G HN 0.569 nan 8.290 nan 0.000 0.531 296 R N -0.153 120.403 120.500 0.093 0.000 2.389 296 R HA 0.544 4.884 4.340 -0.000 0.000 0.295 296 R C 0.434 176.704 176.300 -0.050 0.000 1.075 296 R CA -0.069 56.008 56.100 -0.039 0.000 1.005 296 R CB 0.817 31.067 30.300 -0.082 0.000 0.987 296 R HN 0.412 nan 8.270 nan 0.000 0.452 297 M N 3.402 122.881 119.600 -0.201 0.000 2.294 297 M HA 0.326 4.806 4.480 -0.000 0.000 0.335 297 M C -1.600 174.499 176.300 -0.335 0.000 1.079 297 M CA -0.676 54.555 55.300 -0.115 0.000 0.982 297 M CB 1.072 33.630 32.600 -0.070 0.000 1.651 297 M HN 0.432 nan 8.290 nan 0.000 0.437 298 Y N 3.483 123.742 120.300 -0.068 0.000 2.360 298 Y HA 0.682 5.232 4.550 -0.000 0.000 0.337 298 Y C -0.510 175.261 175.900 -0.216 0.000 1.039 298 Y CA -0.748 57.278 58.100 -0.123 0.000 1.109 298 Y CB 1.673 40.037 38.460 -0.159 0.000 1.201 298 Y HN 0.399 nan 8.280 nan 0.000 0.458 299 V N 3.674 123.519 119.914 -0.116 0.000 2.808 299 V HA 0.353 4.473 4.120 -0.000 0.000 0.308 299 V C -0.817 175.166 176.094 -0.185 0.000 1.099 299 V CA -1.548 60.613 62.300 -0.231 0.000 0.920 299 V CB 1.919 33.637 31.823 -0.176 0.000 1.014 299 V HN 0.585 nan 8.190 nan 0.000 0.425 300 F N 4.843 124.725 119.950 -0.112 0.000 2.438 300 F HA 0.591 5.118 4.527 -0.000 0.000 0.356 300 F C 0.461 176.153 175.800 -0.179 0.000 1.099 300 F CA -0.215 57.728 58.000 -0.094 0.000 1.185 300 F CB 1.040 40.011 39.000 -0.048 0.000 1.115 300 F HN 0.231 nan 8.300 nan 0.000 0.526 301 M N 4.280 123.893 119.600 0.021 0.000 2.619 301 M HA 0.400 4.880 4.480 -0.000 0.000 0.297 301 M C -0.621 175.786 176.300 0.179 0.000 1.229 301 M CA -0.639 54.577 55.300 -0.140 0.000 0.860 301 M CB 2.445 34.577 32.600 -0.781 0.000 1.741 301 M HN 0.620 nan 8.290 nan 0.000 0.462 302 H N -0.471 118.617 119.070 0.030 0.000 2.996 302 H HA 0.658 5.214 4.556 -0.000 0.000 0.368 302 H C -3.320 171.638 175.328 -0.617 0.000 1.185 302 H CA -1.704 54.216 56.048 -0.212 0.000 1.160 302 H CB 2.007 31.722 29.762 -0.078 0.000 1.820 302 H HN 0.293 nan 8.280 nan 0.000 0.547 303 P HA 0.076 nan 4.420 nan 0.000 0.282 303 P C -0.484 176.563 177.300 -0.421 0.000 1.287 303 P CA -0.133 62.230 63.100 -1.229 0.000 0.792 303 P CB 0.893 31.741 31.700 -1.421 0.000 1.163 304 D N -2.461 117.760 120.400 -0.297 0.000 2.708 304 D HA -0.133 4.507 4.640 -0.000 0.000 0.236 304 D C 0.765 177.034 176.300 -0.053 0.000 1.146 304 D CA 1.273 55.208 54.000 -0.109 0.000 0.662 304 D CB -1.894 38.871 40.800 -0.059 0.000 1.059 304 D HN 0.632 nan 8.370 nan 0.000 0.428 305 G N 0.307 109.054 108.800 -0.088 0.000 2.527 305 G HA2 0.423 4.383 3.960 -0.000 0.000 0.248 305 G HA3 0.423 4.383 3.960 -0.000 0.000 0.248 305 G C 0.426 175.316 174.900 -0.017 0.000 1.231 305 G CA 0.115 45.178 45.100 -0.063 0.000 0.838 305 G HN 0.407 nan 8.290 nan 0.000 0.570 306 K N -0.270 120.114 120.400 -0.026 0.000 2.680 306 K HA 0.409 4.729 4.320 -0.000 0.000 0.295 306 K C -1.082 175.526 176.600 0.014 0.000 1.052 306 K CA -1.054 55.246 56.287 0.022 0.000 0.863 306 K CB 0.819 33.322 32.500 0.005 0.000 1.549 306 K HN 0.352 nan 8.250 nan 0.000 0.391 307 E N 0.261 120.499 120.200 0.063 0.000 2.585 307 E HA 0.201 4.551 4.350 -0.000 0.000 0.252 307 E C 0.844 177.458 176.600 0.023 0.000 0.981 307 E CA 2.388 58.834 56.400 0.076 0.000 0.943 307 E CB -0.230 29.520 29.700 0.084 0.000 0.923 307 E HN 0.856 nan 8.360 nan 0.000 0.486 308 G N 2.985 111.819 108.800 0.057 0.000 2.176 308 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 308 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 308 G C 0.768 175.476 174.900 -0.320 0.000 0.986 308 G CA 0.586 45.664 45.100 -0.036 0.000 0.643 308 G HN 0.910 nan 8.290 nan 0.000 0.522 309 T N -1.345 112.934 114.554 -0.458 0.000 3.145 309 T HA 0.230 4.580 4.350 -0.000 0.000 0.255 309 T C 1.774 176.121 174.700 -0.588 0.000 1.039 309 T CA 0.873 62.319 62.100 -1.091 0.000 0.928 309 T CB -0.537 67.613 68.868 -1.196 0.000 1.029 309 T HN 0.744 nan 8.240 nan 0.000 0.554 310 H N 1.174 120.015 119.070 -0.382 0.000 2.561 310 H HA 0.196 4.752 4.556 -0.000 0.000 0.278 310 H C 0.861 176.139 175.328 -0.083 0.000 1.014 310 H CA 0.463 56.337 56.048 -0.290 0.000 1.211 310 H CB -0.133 29.022 29.762 -1.012 0.000 1.365 310 H HN 0.422 nan 8.280 nan 0.000 0.594 311 K N 0.190 120.387 120.400 -0.339 0.000 2.478 311 K HA 0.155 4.475 4.320 -0.000 0.000 0.205 311 K C -0.655 175.939 176.600 -0.010 0.000 1.033 311 K CA -0.534 55.597 56.287 -0.260 0.000 1.091 311 K CB 0.582 32.829 32.500 -0.421 0.000 0.844 311 K HN -0.069 nan 8.250 nan 0.000 0.507 312 F N 2.419 122.168 119.950 -0.335 0.000 2.506 312 F HA 0.157 4.684 4.527 -0.000 0.000 0.351 312 F C -1.792 173.828 175.800 -0.299 0.000 1.136 312 F CA -2.739 55.014 58.000 -0.413 0.000 1.298 312 F CB -0.022 38.472 39.000 -0.844 0.000 1.145 312 F HN -0.106 nan 8.300 nan 0.000 0.593 313 P HA 0.128 nan 4.420 nan 0.000 0.269 313 P C -1.101 176.137 177.300 -0.105 0.000 1.215 313 P CA -0.210 62.802 63.100 -0.146 0.000 0.780 313 P CB 0.468 32.059 31.700 -0.180 0.000 0.898 314 A N 2.398 125.116 122.820 -0.170 0.000 2.450 314 A HA 0.404 4.724 4.320 -0.000 0.000 0.255 314 A C 1.338 178.944 177.584 0.037 0.000 1.096 314 A CA 0.455 52.462 52.037 -0.050 0.000 0.778 314 A CB -0.275 18.594 19.000 -0.218 0.000 1.031 314 A HN 0.586 nan 8.150 nan 0.000 0.494 315 A N 2.439 125.357 122.820 0.163 0.000 1.943 315 A HA 0.278 4.598 4.320 -0.000 0.000 0.213 315 A C 0.766 178.524 177.584 0.290 0.000 1.181 315 A CA 1.004 53.160 52.037 0.198 0.000 0.653 315 A CB 0.010 19.134 19.000 0.206 0.000 0.833 315 A HN 0.839 nan 8.150 nan 0.000 0.451 316 E N -1.674 118.745 120.200 0.365 0.000 2.449 316 E HA 0.597 4.947 4.350 -0.000 0.000 0.278 316 E C -1.680 175.122 176.600 0.338 0.000 0.992 316 E CA -0.722 55.900 56.400 0.370 0.000 0.807 316 E CB 1.805 31.808 29.700 0.505 0.000 1.350 316 E HN 0.202 nan 8.360 nan 0.000 0.462 317 I N 1.349 122.130 120.570 0.352 0.000 2.378 317 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 317 I C -1.047 175.313 176.117 0.404 0.000 0.992 317 I CA -0.704 60.793 61.300 0.329 0.000 1.154 317 I CB 0.830 38.969 38.000 0.232 0.000 1.315 317 I HN 0.265 nan 8.210 nan 0.000 0.448 318 W N 5.607 126.900 121.300 -0.012 0.000 2.496 318 W HA 0.549 5.209 4.660 -0.000 0.000 0.327 318 W C -0.589 175.824 176.519 -0.176 0.000 1.086 318 W CA -0.992 56.294 57.345 -0.098 0.000 1.222 318 W CB 1.370 30.761 29.460 -0.114 0.000 1.304 318 W HN -0.017 nan 8.180 nan 0.000 0.547 319 V N 5.922 125.808 119.914 -0.046 0.000 2.357 319 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 319 V C 0.046 176.008 176.094 -0.221 0.000 1.018 319 V CA -0.896 61.206 62.300 -0.330 0.000 0.841 319 V CB 0.914 32.513 31.823 -0.373 0.000 0.991 319 V HN 0.337 nan 8.190 nan 0.000 0.437 320 M N 3.327 122.802 119.600 -0.208 0.000 2.436 320 M HA 0.475 4.955 4.480 -0.000 0.000 0.331 320 M C -0.527 175.714 176.300 -0.098 0.000 1.135 320 M CA -0.636 54.622 55.300 -0.069 0.000 0.987 320 M CB 1.658 34.312 32.600 0.090 0.000 1.687 320 M HN 0.557 nan 8.290 nan 0.000 0.445 321 D N 2.285 122.638 120.400 -0.078 0.000 2.380 321 D HA 0.149 4.789 4.640 -0.000 0.000 0.230 321 D C 0.989 177.225 176.300 -0.107 0.000 1.154 321 D CA 0.047 53.991 54.000 -0.093 0.000 0.859 321 D CB 1.215 41.955 40.800 -0.099 0.000 1.045 321 D HN 0.767 nan 8.370 nan 0.000 0.495 322 T N 1.362 115.858 114.554 -0.097 0.000 3.007 322 T HA -0.094 4.256 4.350 -0.000 0.000 0.270 322 T C 1.475 176.050 174.700 -0.208 0.000 1.107 322 T CA 0.828 62.841 62.100 -0.145 0.000 1.118 322 T CB 0.115 68.870 68.868 -0.188 0.000 0.889 322 T HN 0.327 nan 8.240 nan 0.000 0.506 323 K N 1.184 121.494 120.400 -0.150 0.000 2.116 323 K HA 0.013 4.332 4.320 -0.000 0.000 0.203 323 K C 2.538 179.023 176.600 -0.191 0.000 1.052 323 K CA 1.597 57.801 56.287 -0.139 0.000 0.952 323 K CB -0.110 32.339 32.500 -0.085 0.000 0.729 323 K HN 0.604 nan 8.250 nan 0.000 0.446 324 T N -2.120 112.312 114.554 -0.203 0.000 3.022 324 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 324 T C 0.333 174.849 174.700 -0.307 0.000 1.060 324 T CA -0.340 61.633 62.100 -0.210 0.000 1.013 324 T CB 0.023 68.804 68.868 -0.145 0.000 0.982 324 T HN 0.063 nan 8.240 nan 0.000 0.508 325 K N 1.100 121.234 120.400 -0.444 0.000 3.129 325 K HA -0.172 4.148 4.320 -0.000 0.000 0.273 325 K C -0.499 175.948 176.600 -0.255 0.000 1.123 325 K CA 0.530 56.389 56.287 -0.712 0.000 0.800 325 K CB -1.614 30.241 32.500 -1.075 0.000 1.238 325 K HN 0.646 nan 8.250 nan 0.000 0.492 326 Q N 0.229 119.946 119.800 -0.139 0.000 2.348 326 Q HA 0.385 4.725 4.340 -0.000 0.000 0.271 326 Q C -0.444 175.522 176.000 -0.056 0.000 1.067 326 Q CA -1.071 54.688 55.803 -0.073 0.000 0.839 326 Q CB 2.266 30.945 28.738 -0.100 0.000 1.354 326 Q HN 0.158 nan 8.270 nan 0.000 0.447 327 R N 1.158 121.606 120.500 -0.086 0.000 2.298 327 R HA 0.152 4.492 4.340 -0.000 0.000 0.310 327 R C 0.516 176.712 176.300 -0.174 0.000 1.068 327 R CA 0.015 56.026 56.100 -0.148 0.000 0.957 327 R CB 0.585 30.705 30.300 -0.301 0.000 1.003 327 R HN 0.646 nan 8.270 nan 0.000 0.454 328 V N 0.959 120.776 119.914 -0.161 0.000 3.644 328 V HA 0.511 4.631 4.120 -0.000 0.000 0.267 328 V C 0.297 176.301 176.094 -0.149 0.000 1.277 328 V CA 0.619 62.833 62.300 -0.143 0.000 1.096 328 V CB 0.012 31.764 31.823 -0.117 0.000 0.828 328 V HN 0.710 nan 8.190 nan 0.000 0.446 329 A N 1.178 123.889 122.820 -0.181 0.000 2.597 329 A HA 0.865 5.185 4.320 -0.000 0.000 0.292 329 A C -0.817 176.649 177.584 -0.196 0.000 1.057 329 A CA -0.777 51.165 52.037 -0.158 0.000 0.674 329 A CB 1.400 20.348 19.000 -0.087 0.000 1.278 329 A HN 0.677 nan 8.150 nan 0.000 0.416 330 R N 0.768 121.171 120.500 -0.162 0.000 2.515 330 R HA 0.746 5.086 4.340 -0.000 0.000 0.278 330 R C -1.206 175.098 176.300 0.007 0.000 1.107 330 R CA -0.494 55.534 56.100 -0.121 0.000 0.945 330 R CB 0.935 30.996 30.300 -0.399 0.000 1.219 330 R HN 1.269 nan 8.270 nan 0.000 0.434 331 I N -1.640 118.995 120.570 0.108 0.000 3.042 331 I HA 0.667 4.837 4.170 -0.000 0.000 0.310 331 I C -2.773 173.451 176.117 0.179 0.000 1.117 331 I CA -3.409 57.965 61.300 0.123 0.000 1.003 331 I CB 2.602 40.671 38.000 0.115 0.000 1.228 331 I HN 0.313 nan 8.210 nan 0.000 0.443 332 P HA 0.108 nan 4.420 nan 0.000 0.266 332 P C 0.596 178.011 177.300 0.191 0.000 1.195 332 P CA 0.218 63.426 63.100 0.181 0.000 0.768 332 P CB 0.791 32.580 31.700 0.150 0.000 0.838 333 G N 3.002 111.905 108.800 0.173 0.000 2.683 333 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.213 333 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.213 333 G C 0.431 175.368 174.900 0.061 0.000 1.142 333 G CA -0.206 44.971 45.100 0.128 0.000 0.793 333 G HN 0.528 nan 8.290 nan 0.000 0.534 334 R N 0.169 120.711 120.500 0.070 0.000 3.627 334 R HA -0.159 4.181 4.340 -0.000 0.000 0.281 334 R C -0.149 176.129 176.300 -0.038 0.000 1.140 334 R CA 0.607 56.729 56.100 0.036 0.000 0.761 334 R CB -1.966 28.381 30.300 0.079 0.000 1.181 334 R HN 0.423 nan 8.270 nan 0.000 0.472 335 D N -3.142 117.215 120.400 -0.071 0.000 2.911 335 D HA -0.210 4.430 4.640 -0.000 0.000 0.227 335 D C 0.364 176.533 176.300 -0.218 0.000 1.164 335 D CA 1.573 55.495 54.000 -0.130 0.000 0.782 335 D CB -1.157 39.580 40.800 -0.104 0.000 1.094 335 D HN 0.678 nan 8.370 nan 0.000 0.425 336 A N -0.281 122.332 122.820 -0.345 0.000 2.425 336 A HA 0.454 4.774 4.320 -0.000 0.000 0.242 336 A C 1.403 178.540 177.584 -0.745 0.000 1.077 336 A CA 0.138 51.839 52.037 -0.560 0.000 0.781 336 A CB 0.469 19.006 19.000 -0.771 0.000 1.020 336 A HN 0.273 nan 8.150 nan 0.000 0.494 337 L N 0.162 121.127 121.223 -0.431 0.000 2.806 337 L HA 0.199 4.539 4.340 -0.000 0.000 0.242 337 L C 0.456 177.476 176.870 0.250 0.000 1.068 337 L CA 0.358 55.140 54.840 -0.097 0.000 0.923 337 L CB 0.426 42.525 42.059 0.067 0.000 1.364 337 L HN 0.615 nan 8.230 nan 0.000 0.511 338 S N 0.292 116.171 115.700 0.297 0.000 2.595 338 S HA 0.821 5.291 4.470 -0.000 0.000 0.281 338 S C -0.664 174.209 174.600 0.455 0.000 1.117 338 S CA -0.633 57.816 58.200 0.416 0.000 0.873 338 S CB 2.610 65.909 63.200 0.165 0.000 1.108 338 S HN 0.181 nan 8.310 nan 0.000 0.477 339 M N -0.196 119.566 119.600 0.270 0.000 2.843 339 M HA 0.859 5.339 4.480 -0.000 0.000 0.273 339 M C -1.092 175.256 176.300 0.080 0.000 1.286 339 M CA -0.576 54.818 55.300 0.157 0.000 0.807 339 M CB 2.006 34.607 32.600 0.003 0.000 1.684 339 M HN 0.515 nan 8.290 nan 0.000 0.458 340 T N 0.581 115.180 114.554 0.075 0.000 2.885 340 T HA 0.674 5.024 4.350 -0.000 0.000 0.322 340 T C -2.002 172.792 174.700 0.156 0.000 1.387 340 T CA -0.633 61.534 62.100 0.111 0.000 1.041 340 T CB 1.629 70.578 68.868 0.134 0.000 1.287 340 T HN 0.618 nan 8.240 nan 0.000 0.491 341 I N 3.079 123.728 120.570 0.132 0.000 2.530 341 I HA 0.471 4.641 4.170 -0.000 0.000 0.297 341 I C -0.377 175.723 176.117 -0.028 0.000 1.011 341 I CA -0.711 60.622 61.300 0.054 0.000 1.107 341 I CB 1.968 39.963 38.000 -0.008 0.000 1.285 341 I HN 0.699 nan 8.210 nan 0.000 0.436 342 D N 5.236 125.466 120.400 -0.283 0.000 2.381 342 D HA 0.192 4.832 4.640 -0.000 0.000 0.235 342 D C 0.547 176.692 176.300 -0.260 0.000 1.068 342 D CA -0.342 53.335 54.000 -0.539 0.000 0.832 342 D CB 1.813 41.803 40.800 -1.350 0.000 1.101 342 D HN 0.352 nan 8.370 nan 0.000 0.515 343 Q N 2.565 122.265 119.800 -0.167 0.000 2.016 343 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 343 Q C 1.666 177.610 176.000 -0.093 0.000 0.978 343 Q CA 1.239 56.966 55.803 -0.126 0.000 0.833 343 Q CB -0.257 28.402 28.738 -0.131 0.000 0.895 343 Q HN 0.684 nan 8.270 nan 0.000 0.427 344 Q N 0.580 120.321 119.800 -0.097 0.000 2.061 344 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 344 Q C 1.398 177.376 176.000 -0.038 0.000 0.984 344 Q CA 1.418 57.187 55.803 -0.056 0.000 0.846 344 Q CB 0.166 28.877 28.738 -0.045 0.000 0.902 344 Q HN 0.076 nan 8.270 nan 0.000 0.421 345 R N 0.726 121.176 120.500 -0.084 0.000 2.317 345 R HA 0.123 4.463 4.340 -0.000 0.000 0.208 345 R C -0.415 175.866 176.300 -0.031 0.000 0.914 345 R CA 0.226 56.297 56.100 -0.048 0.000 1.060 345 R CB 0.158 30.422 30.300 -0.061 0.000 1.015 345 R HN 0.317 nan 8.270 nan 0.000 0.498 346 N N 0.752 119.448 118.700 -0.007 0.000 2.708 346 N HA -0.204 4.536 4.740 -0.000 0.000 0.255 346 N C -1.113 174.372 175.510 -0.042 0.000 1.046 346 N CA 0.910 53.990 53.050 0.051 0.000 0.715 346 N CB -1.261 37.266 38.487 0.068 0.000 0.895 346 N HN 0.235 nan 8.380 nan 0.000 0.545 347 L N -0.193 120.966 121.223 -0.107 0.000 2.354 347 L HA 0.681 5.021 4.340 -0.000 0.000 0.264 347 L C 0.211 177.058 176.870 -0.037 0.000 1.008 347 L CA -0.683 54.113 54.840 -0.074 0.000 0.819 347 L CB 2.279 44.267 42.059 -0.119 0.000 1.339 347 L HN 0.168 nan 8.230 nan 0.000 0.420 348 M N 3.104 122.732 119.600 0.048 0.000 2.327 348 M HA 0.573 5.053 4.480 -0.000 0.000 0.298 348 M C -2.045 174.375 176.300 0.199 0.000 1.065 348 M CA -0.422 54.902 55.300 0.040 0.000 0.916 348 M CB 1.898 34.372 32.600 -0.210 0.000 1.630 348 M HN 0.468 nan 8.290 nan 0.000 0.442 349 L N 3.879 125.208 121.223 0.176 0.000 2.329 349 L HA 0.735 5.075 4.340 -0.000 0.000 0.279 349 L C -0.060 176.909 176.870 0.166 0.000 1.014 349 L CA -0.717 54.195 54.840 0.120 0.000 0.814 349 L CB 2.133 44.136 42.059 -0.094 0.000 1.257 349 L HN 0.804 nan 8.230 nan 0.000 0.424 350 T N 0.573 115.262 114.554 0.226 0.000 2.907 350 T HA 0.773 5.123 4.350 -0.000 0.000 0.292 350 T C -0.999 173.780 174.700 0.133 0.000 1.043 350 T CA -0.778 61.489 62.100 0.279 0.000 1.003 350 T CB 2.275 71.392 68.868 0.414 0.000 1.084 350 T HN 0.366 nan 8.240 nan 0.000 0.483 351 L N 1.937 123.214 121.223 0.090 0.000 2.464 351 L HA 0.624 4.964 4.340 -0.000 0.000 0.266 351 L C -0.519 176.317 176.870 -0.056 0.000 0.965 351 L CA -0.373 54.467 54.840 -0.001 0.000 0.833 351 L CB 2.144 44.198 42.059 -0.008 0.000 1.296 351 L HN 0.864 nan 8.230 nan 0.000 0.405 352 D N 1.788 122.141 120.400 -0.077 0.000 2.363 352 D HA 0.398 5.038 4.640 -0.000 0.000 0.214 352 D C 1.094 177.334 176.300 -0.100 0.000 1.093 352 D CA 0.554 54.491 54.000 -0.105 0.000 0.837 352 D CB 0.814 41.555 40.800 -0.097 0.000 0.948 352 D HN 0.928 nan 8.370 nan 0.000 0.507 353 G N -0.797 107.946 108.800 -0.094 0.000 2.391 353 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.204 353 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.204 353 G C 1.080 175.938 174.900 -0.071 0.000 1.012 353 G CA 0.020 45.058 45.100 -0.103 0.000 0.651 353 G HN 0.744 nan 8.290 nan 0.000 0.494 354 G N -0.240 108.525 108.800 -0.059 0.000 2.663 354 G HA2 0.344 4.304 3.960 -0.000 0.000 0.200 354 G HA3 0.344 4.304 3.960 -0.000 0.000 0.200 354 G C 0.113 174.983 174.900 -0.051 0.000 1.114 354 G CA 0.551 45.628 45.100 -0.039 0.000 0.861 354 G HN 0.459 nan 8.290 nan 0.000 0.702 355 N N 0.412 119.072 118.700 -0.065 0.000 2.319 355 N HA 0.558 5.298 4.740 -0.000 0.000 0.305 355 N C -1.366 174.092 175.510 -0.087 0.000 1.103 355 N CA -0.266 52.734 53.050 -0.083 0.000 0.815 355 N CB 3.045 41.491 38.487 -0.068 0.000 1.288 355 N HN -0.148 nan 8.380 nan 0.000 0.493 356 V N 2.043 121.885 119.914 -0.120 0.000 2.417 356 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 356 V C -0.223 175.820 176.094 -0.086 0.000 1.024 356 V CA -0.878 61.360 62.300 -0.103 0.000 0.861 356 V CB 1.400 33.125 31.823 -0.163 0.000 0.985 356 V HN 0.554 nan 8.190 nan 0.000 0.436 357 N N 3.119 121.799 118.700 -0.033 0.000 2.430 357 N HA 0.543 5.283 4.740 -0.000 0.000 0.292 357 N C -0.918 174.553 175.510 -0.066 0.000 1.051 357 N CA -0.342 52.658 53.050 -0.084 0.000 0.917 357 N CB 2.539 41.005 38.487 -0.034 0.000 1.164 357 N HN 0.371 nan 8.380 nan 0.000 0.484 358 V N 3.095 122.908 119.914 -0.168 0.000 2.384 358 V HA 0.393 4.513 4.120 -0.000 0.000 0.287 358 V C -0.923 175.082 176.094 -0.149 0.000 1.020 358 V CA -0.594 61.674 62.300 -0.053 0.000 0.850 358 V CB 0.103 31.945 31.823 0.031 0.000 0.987 358 V HN 0.506 nan 8.190 nan 0.000 0.436 359 Y N 1.728 122.049 120.300 0.036 0.000 2.485 359 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 359 Y C 0.007 175.910 175.900 0.004 0.000 0.998 359 Y CA -1.123 56.991 58.100 0.023 0.000 1.059 359 Y CB 1.707 40.173 38.460 0.011 0.000 1.234 359 Y HN 0.678 nan 8.280 nan 0.000 0.461 360 D N 2.814 123.321 120.400 0.179 0.000 2.274 360 D HA 0.287 4.927 4.640 -0.000 0.000 0.239 360 D C -0.070 176.266 176.300 0.060 0.000 1.104 360 D CA -0.404 53.649 54.000 0.089 0.000 0.840 360 D CB 0.612 41.457 40.800 0.074 0.000 1.100 360 D HN 0.556 nan 8.370 nan 0.000 0.477 361 I N 1.147 121.701 120.570 -0.025 0.000 3.762 361 I HA 0.221 4.391 4.170 -0.000 0.000 0.333 361 I C 0.894 176.913 176.117 -0.163 0.000 1.566 361 I CA -0.477 60.771 61.300 -0.087 0.000 1.129 361 I CB 0.279 38.142 38.000 -0.228 0.000 1.218 361 I HN 0.222 nan 8.210 nan 0.000 0.456 362 S N -0.542 115.106 115.700 -0.086 0.000 2.474 362 S HA 0.071 4.541 4.470 -0.000 0.000 0.235 362 S C 0.905 175.472 174.600 -0.056 0.000 0.997 362 S CA 0.443 58.598 58.200 -0.074 0.000 0.949 362 S CB -0.253 62.944 63.200 -0.006 0.000 0.766 362 S HN 0.575 nan 8.310 nan 0.000 0.517 363 Q N 0.384 120.163 119.800 -0.034 0.000 2.351 363 Q HA 0.445 4.785 4.340 -0.000 0.000 0.273 363 Q C -2.223 173.771 176.000 -0.010 0.000 1.077 363 Q CA -2.384 53.410 55.803 -0.015 0.000 0.843 363 Q CB 1.170 29.910 28.738 0.003 0.000 1.367 363 Q HN -0.034 nan 8.270 nan 0.000 0.449 364 P HA -0.206 nan 4.420 nan 0.000 0.216 364 P C -0.130 177.171 177.300 0.001 0.000 1.157 364 P CA 1.433 64.520 63.100 -0.021 0.000 0.880 364 P CB 0.314 31.991 31.700 -0.039 0.000 0.791 365 E N 0.247 120.452 120.200 0.009 0.000 2.180 365 E HA 0.176 4.526 4.350 -0.000 0.000 0.283 365 E C -2.299 174.340 176.600 0.065 0.000 1.061 365 E CA -2.495 53.922 56.400 0.028 0.000 0.861 365 E CB 0.053 29.764 29.700 0.019 0.000 1.056 365 E HN 0.065 nan 8.360 nan 0.000 0.407 366 P HA 0.095 nan 4.420 nan 0.000 0.271 366 P C -1.168 176.247 177.300 0.192 0.000 1.218 366 P CA -0.203 62.971 63.100 0.124 0.000 0.780 366 P CB 0.587 32.306 31.700 0.033 0.000 0.901 367 K N 3.267 123.812 120.400 0.241 0.000 2.463 367 K HA 0.315 4.635 4.320 -0.000 0.000 0.255 367 K C -1.284 175.440 176.600 0.206 0.000 0.942 367 K CA -1.013 55.394 56.287 0.200 0.000 0.814 367 K CB 0.941 33.505 32.500 0.106 0.000 1.122 367 K HN 0.319 nan 8.250 nan 0.000 0.425 368 L N 6.160 127.451 121.223 0.114 0.000 2.418 368 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 368 L C 0.633 177.422 176.870 -0.135 0.000 1.135 368 L CA 0.572 55.274 54.840 -0.230 0.000 0.870 368 L CB 0.259 42.179 42.059 -0.232 0.000 1.154 368 L HN 0.782 nan 8.230 nan 0.000 0.462 369 L N 4.940 126.067 121.223 -0.160 0.000 2.286 369 L HA 0.291 4.631 4.340 -0.000 0.000 0.203 369 L C 0.721 177.550 176.870 -0.068 0.000 1.068 369 L CA 0.160 54.963 54.840 -0.062 0.000 0.811 369 L CB -0.193 41.867 42.059 0.000 0.000 0.989 369 L HN 0.786 nan 8.230 nan 0.000 0.467 370 R N -1.721 118.712 120.500 -0.111 0.000 2.765 370 R HA 0.406 4.746 4.340 -0.000 0.000 0.277 370 R C -1.561 174.670 176.300 -0.115 0.000 1.028 370 R CA -0.718 55.331 56.100 -0.085 0.000 0.860 370 R CB 1.070 31.349 30.300 -0.034 0.000 1.270 370 R HN -0.320 nan 8.270 nan 0.000 0.484 371 T N 1.894 116.394 114.554 -0.090 0.000 2.824 371 T HA 0.487 4.837 4.350 -0.000 0.000 0.282 371 T C -0.223 174.427 174.700 -0.083 0.000 0.993 371 T CA -0.640 61.404 62.100 -0.094 0.000 0.967 371 T CB 0.989 69.808 68.868 -0.083 0.000 0.960 371 T HN 0.381 nan 8.240 nan 0.000 0.441 372 I N 3.440 123.942 120.570 -0.113 0.000 2.307 372 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 372 I C 0.613 176.639 176.117 -0.152 0.000 1.054 372 I CA -0.551 60.660 61.300 -0.149 0.000 1.218 372 I CB 0.676 38.513 38.000 -0.271 0.000 1.398 372 I HN 0.532 nan 8.210 nan 0.000 0.475 373 E N 4.560 124.705 120.200 -0.092 0.000 2.354 373 E HA 0.300 4.650 4.350 -0.000 0.000 0.269 373 E C 0.872 177.439 176.600 -0.055 0.000 1.036 373 E CA -0.161 56.198 56.400 -0.068 0.000 0.876 373 E CB 0.955 30.630 29.700 -0.042 0.000 1.009 373 E HN 0.853 nan 8.360 nan 0.000 0.416 374 G N 2.168 110.942 108.800 -0.043 0.000 2.323 374 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 374 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 374 G C 0.733 175.647 174.900 0.025 0.000 1.040 374 G CA 0.339 45.434 45.100 -0.010 0.000 0.942 374 G HN 0.627 nan 8.290 nan 0.000 0.506 375 A N -1.394 121.402 122.820 -0.040 0.000 2.119 375 A HA 0.730 5.050 4.320 -0.000 0.000 0.216 375 A C 1.480 179.221 177.584 0.263 0.000 1.152 375 A CA 1.973 53.989 52.037 -0.036 0.000 0.708 375 A CB 0.093 18.862 19.000 -0.384 0.000 0.805 375 A HN 2.418 nan 8.150 nan 0.000 0.460 376 A N -1.737 121.186 122.820 0.171 0.000 2.566 376 A HA 0.583 4.903 4.320 -0.000 0.000 0.290 376 A C 0.033 177.678 177.584 0.101 0.000 1.071 376 A CA -0.066 52.104 52.037 0.221 0.000 0.658 376 A CB 0.038 19.126 19.000 0.147 0.000 1.285 376 A HN 0.064 nan 8.150 nan 0.000 0.427 377 E N -0.301 119.955 120.200 0.092 0.000 2.166 377 E HA 0.349 4.699 4.350 -0.000 0.000 0.192 377 E C 0.540 177.146 176.600 0.011 0.000 0.967 377 E CA 0.973 57.403 56.400 0.050 0.000 0.840 377 E CB 0.418 30.159 29.700 0.069 0.000 0.795 377 E HN 0.917 nan 8.360 nan 0.000 0.470 378 A N 1.416 124.233 122.820 -0.005 0.000 3.158 378 A HA 0.314 4.634 4.320 -0.000 0.000 0.302 378 A C -0.781 176.745 177.584 -0.095 0.000 1.162 378 A CA -0.432 51.573 52.037 -0.054 0.000 0.824 378 A CB 1.036 20.021 19.000 -0.024 0.000 1.322 378 A HN 0.005 nan 8.150 nan 0.000 0.510 379 S N 1.131 116.769 115.700 -0.104 0.000 2.472 379 S HA 0.733 5.203 4.470 -0.000 0.000 0.303 379 S C 0.154 174.651 174.600 -0.173 0.000 1.099 379 S CA -0.500 57.625 58.200 -0.126 0.000 1.077 379 S CB 0.817 63.974 63.200 -0.073 0.000 1.031 379 S HN 0.585 nan 8.310 nan 0.000 0.487 380 L N 3.458 124.549 121.223 -0.220 0.000 3.069 380 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 380 L C 0.246 177.022 176.870 -0.156 0.000 1.201 380 L CA -0.017 54.664 54.840 -0.264 0.000 1.015 380 L CB 0.403 42.153 42.059 -0.514 0.000 1.371 380 L HN 0.643 nan 8.230 nan 0.000 0.574 381 Q N 0.936 120.673 119.800 -0.105 0.000 2.295 381 Q HA 0.493 4.833 4.340 -0.000 0.000 0.268 381 Q C -2.088 173.900 176.000 -0.019 0.000 1.010 381 Q CA -0.204 55.573 55.803 -0.044 0.000 0.856 381 Q CB 3.671 32.384 28.738 -0.043 0.000 1.349 381 Q HN -0.085 nan 8.270 nan 0.000 0.412 382 V N 3.679 123.593 119.914 0.000 0.000 2.709 382 V HA 0.607 4.727 4.120 -0.000 0.000 0.308 382 V C -1.723 174.370 176.094 -0.003 0.000 1.062 382 V CA -0.118 62.174 62.300 -0.013 0.000 0.901 382 V CB 2.371 34.157 31.823 -0.062 0.000 1.003 382 V HN 0.931 nan 8.190 nan 0.000 0.425 383 Q N 4.336 124.150 119.800 0.023 0.000 2.389 383 Q HA 0.540 4.880 4.340 -0.000 0.000 0.277 383 Q C -1.667 174.395 176.000 0.103 0.000 1.082 383 Q CA -0.496 55.351 55.803 0.073 0.000 0.810 383 Q CB 3.133 31.930 28.738 0.098 0.000 1.374 383 Q HN 0.701 nan 8.270 nan 0.000 0.422 384 F N 0.597 120.626 119.950 0.132 0.000 2.371 384 F HA 0.168 4.695 4.527 -0.000 0.000 0.329 384 F C 0.814 176.758 175.800 0.239 0.000 1.107 384 F CA -0.335 57.766 58.000 0.169 0.000 1.137 384 F CB 0.750 39.789 39.000 0.065 0.000 1.214 384 F HN 0.462 nan 8.300 nan 0.000 0.536 385 H N 3.246 122.616 119.070 0.500 0.000 2.722 385 H HA 0.204 4.760 4.556 -0.000 0.000 0.328 385 H C -2.422 173.043 175.328 0.228 0.000 1.067 385 H CA -1.862 54.417 56.048 0.384 0.000 1.447 385 H CB 1.152 31.165 29.762 0.418 0.000 1.469 385 H HN 0.224 nan 8.280 nan 0.000 0.544 386 P HA -0.032 nan 4.420 nan 0.000 0.268 386 P C -0.556 176.860 177.300 0.193 0.000 1.204 386 P CA 0.107 63.239 63.100 0.053 0.000 0.768 386 P CB 0.733 32.382 31.700 -0.085 0.000 0.842 387 V N 0.000 119.988 119.914 0.123 0.000 2.409 387 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 387 V CA 0.000 62.367 62.300 0.112 0.000 1.235 387 V CB 0.000 31.883 31.823 0.101 0.000 1.184 387 V HN 0.000 nan 8.190 nan 0.000 0.556