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 3glf_1_G DATA FIRST_RESID -9 DATA SEQUENCE GLEVLFQGPH MSYQVLARKW RPQTFADVVG QEHVLTALAN GLSLGRIHHA DATA SEQUENCE YLFSGTRGVG KTSIARLLAK GLNCETGITA TPCGVCDNCR EIEQGRFVDL DATA SEQUENCE IEIDAASRTK VEDTRDLLDN VQYAPARGRF KVYLIDEVHM LSRHSFNALL DATA SEQUENCE KTLEEPPEHV KFLLATTDPQ KLPVTILSRC LQFHLKALDV EQIRHQLEHI DATA SEQUENCE LNEEHIAHEP RALQLLARAA EGSLRDALSL TDQAIASGDG QVSTQAVSAM DATA SEQUENCE LGTLDDDQAL SLVEAMVEAN GERVMALINE AAARGIEWEA LLVEMLGLLH DATA SEQUENCE RIAMVQLSPA ALGNDMAAIE LRMRELARTI PPTDIQLYYQ TLLIGRKELP DATA SEQUENCE YAPDRRMGVE MTLLRALAFH PRMPLPEP 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 -9 G HA2 0.000 nan 3.960 nan 0.000 0.244 -9 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 -9 G C 0.000 174.930 174.900 0.051 0.000 0.946 -9 G CA 0.000 45.122 45.100 0.036 0.000 0.502 -8 L N 1.852 123.110 121.223 0.057 0.000 2.291 -8 L HA 0.337 4.676 4.340 -0.001 0.000 0.214 -8 L C 2.314 179.269 176.870 0.142 0.000 1.120 -8 L CA 1.976 56.868 54.840 0.086 0.000 0.799 -8 L CB -0.518 41.585 42.059 0.074 0.000 0.925 -8 L HN 0.572 nan 8.230 nan 0.000 0.446 -7 E N -1.453 118.818 120.200 0.118 0.000 2.401 -7 E HA -0.160 4.189 4.350 -0.001 0.000 0.199 -7 E C 2.138 178.871 176.600 0.222 0.000 1.023 -7 E CA 0.704 57.198 56.400 0.158 0.000 0.859 -7 E CB -0.075 29.676 29.700 0.085 0.000 0.780 -7 E HN 0.344 nan 8.360 nan 0.000 0.523 -6 V N 1.268 121.273 119.914 0.152 0.000 2.343 -6 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 -6 V C 2.105 178.244 176.094 0.074 0.000 1.051 -6 V CA 1.469 63.829 62.300 0.101 0.000 1.036 -6 V CB -0.404 31.453 31.823 0.057 0.000 0.654 -6 V HN 0.347 nan 8.190 nan 0.000 0.451 -5 L N -1.277 119.968 121.223 0.037 0.000 2.189 -5 L HA -0.188 4.152 4.340 -0.001 0.000 0.214 -5 L C 2.095 178.738 176.870 -0.378 0.000 1.097 -5 L CA 1.717 56.417 54.840 -0.234 0.000 0.764 -5 L CB -0.661 41.131 42.059 -0.444 0.000 0.900 -5 L HN 0.308 nan 8.230 nan 0.000 0.436 -4 F N -1.617 118.343 119.950 0.016 0.000 2.720 -4 F HA 0.173 4.700 4.527 -0.001 0.000 0.301 -4 F C 1.486 177.298 175.800 0.020 0.000 1.103 -4 F CA -0.389 57.621 58.000 0.016 0.000 1.291 -4 F CB 0.104 39.112 39.000 0.013 0.000 1.086 -4 F HN -0.036 nan 8.300 nan 0.000 0.592 -3 Q N 0.900 120.801 119.800 0.168 0.000 2.373 -3 Q HA 0.373 4.712 4.340 -0.001 0.000 0.255 -3 Q C 0.474 176.516 176.000 0.072 0.000 0.980 -3 Q CA -0.006 55.865 55.803 0.113 0.000 0.882 -3 Q CB 1.374 30.178 28.738 0.110 0.000 1.249 -3 Q HN 0.341 nan 8.270 nan 0.000 0.438 -2 G N 1.629 110.467 108.800 0.062 0.000 2.552 -2 G HA2 0.523 4.482 3.960 -0.001 0.000 0.318 -2 G HA3 0.523 4.482 3.960 -0.001 0.000 0.318 -2 G C -2.390 172.534 174.900 0.041 0.000 1.240 -2 G CA -1.136 43.988 45.100 0.039 0.000 1.002 -2 G HN 0.425 nan 8.290 nan 0.000 0.493 -1 P HA 0.041 nan 4.420 nan 0.000 0.262 -1 P C 0.029 177.359 177.300 0.049 0.000 1.182 -1 P CA 0.096 63.218 63.100 0.036 0.000 0.761 -1 P CB 0.162 31.868 31.700 0.010 0.000 0.795 0 H N 4.172 123.243 119.070 0.003 0.000 3.001 0 H HA 0.150 4.705 4.556 -0.001 0.000 0.334 0 H C 0.197 175.516 175.328 -0.015 0.000 1.034 0 H CA 0.529 56.583 56.048 0.010 0.000 1.420 0 H CB 0.491 30.260 29.762 0.013 0.000 1.405 0 H HN 0.415 nan 8.280 nan 0.000 0.593 1 M N 1.928 121.376 119.600 -0.253 0.000 2.501 1 M HA 0.366 4.845 4.480 -0.001 0.000 0.293 1 M C -1.228 174.952 176.300 -0.199 0.000 1.192 1 M CA -1.044 54.136 55.300 -0.199 0.000 0.886 1 M CB 2.479 34.894 32.600 -0.308 0.000 1.710 1 M HN 0.383 nan 8.290 nan 0.000 0.457 2 S N 1.619 117.254 115.700 -0.108 0.000 2.669 2 S HA 0.565 5.034 4.470 -0.001 0.000 0.315 2 S C -1.122 173.472 174.600 -0.011 0.000 1.106 2 S CA -0.618 57.593 58.200 0.017 0.000 1.107 2 S CB 0.030 63.279 63.200 0.082 0.000 0.990 2 S HN 0.639 nan 8.310 nan 0.000 0.471 3 Y N 1.838 122.141 120.300 0.005 0.000 2.379 3 Y HA 0.186 4.736 4.550 -0.001 0.000 0.337 3 Y C 1.418 177.334 175.900 0.027 0.000 1.238 3 Y CA -0.397 57.715 58.100 0.019 0.000 1.405 3 Y CB 0.563 39.043 38.460 0.033 0.000 1.310 3 Y HN 0.563 nan 8.280 nan 0.000 0.569 4 Q N 1.134 121.040 119.800 0.178 0.000 2.330 4 Q HA 0.121 4.461 4.340 -0.001 0.000 0.279 4 Q C -0.442 175.643 176.000 0.141 0.000 1.024 4 Q CA -0.397 55.474 55.803 0.113 0.000 0.900 4 Q CB 0.798 29.573 28.738 0.060 0.000 1.221 4 Q HN 0.453 nan 8.270 nan 0.000 0.396 5 V N 4.298 124.274 119.914 0.103 0.000 2.928 5 V HA -0.204 3.916 4.120 -0.001 0.000 0.307 5 V C 1.757 177.927 176.094 0.126 0.000 1.105 5 V CA 0.576 62.934 62.300 0.096 0.000 1.223 5 V CB 0.166 32.029 31.823 0.068 0.000 0.930 5 V HN 0.831 nan 8.190 nan 0.000 0.499 6 L N 3.226 124.529 121.223 0.134 0.000 2.027 6 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 6 L C 2.635 179.624 176.870 0.197 0.000 1.074 6 L CA 1.764 56.732 54.840 0.213 0.000 0.745 6 L CB -0.800 41.334 42.059 0.124 0.000 0.898 6 L HN 0.933 nan 8.230 nan 0.000 0.433 7 A N 0.502 123.385 122.820 0.105 0.000 1.915 7 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 7 A C 2.376 180.009 177.584 0.081 0.000 1.198 7 A CA 2.147 54.230 52.037 0.077 0.000 0.647 7 A CB -0.547 18.479 19.000 0.044 0.000 0.825 7 A HN 0.401 nan 8.150 nan 0.000 0.456 8 R N -1.113 119.430 120.500 0.072 0.000 2.062 8 R HA -0.014 4.325 4.340 -0.001 0.000 0.226 8 R C 2.458 178.774 176.300 0.027 0.000 1.125 8 R CA 1.193 57.318 56.100 0.041 0.000 0.966 8 R CB -0.361 29.955 30.300 0.027 0.000 0.861 8 R HN 0.589 nan 8.270 nan 0.000 0.433 9 K N 0.395 120.817 120.400 0.036 0.000 2.032 9 K HA -0.171 4.148 4.320 -0.001 0.000 0.209 9 K C 0.903 177.374 176.600 -0.216 0.000 1.048 9 K CA 1.477 57.700 56.287 -0.106 0.000 0.927 9 K CB -0.039 32.383 32.500 -0.131 0.000 0.712 9 K HN 0.187 nan 8.250 nan 0.000 0.441 10 W N 2.080 123.365 121.300 -0.024 0.000 3.447 10 W HA 0.178 4.838 4.660 -0.001 0.000 0.348 10 W C 0.183 176.663 176.519 -0.064 0.000 1.220 10 W CA -0.614 56.702 57.345 -0.049 0.000 1.809 10 W CB 0.105 29.529 29.460 -0.061 0.000 1.040 10 W HN -0.018 nan 8.180 nan 0.000 0.735 11 R N 2.579 123.125 120.500 0.076 0.000 2.421 11 R HA 0.069 4.408 4.340 -0.001 0.000 0.305 11 R C -2.241 174.054 176.300 -0.008 0.000 1.039 11 R CA -1.470 54.642 56.100 0.020 0.000 1.003 11 R CB 0.316 30.607 30.300 -0.014 0.000 0.959 11 R HN -0.164 nan 8.270 nan 0.000 0.427 12 P HA 0.005 nan 4.420 nan 0.000 0.268 12 P C -0.546 176.734 177.300 -0.032 0.000 1.204 12 P CA 0.069 63.158 63.100 -0.018 0.000 0.768 12 P CB 0.867 32.540 31.700 -0.044 0.000 0.842 13 Q N 0.157 119.943 119.800 -0.023 0.000 2.246 13 Q HA 0.154 4.493 4.340 -0.001 0.000 0.222 13 Q C 0.051 176.063 176.000 0.019 0.000 0.851 13 Q CA 0.610 56.401 55.803 -0.020 0.000 0.945 13 Q CB 0.449 29.162 28.738 -0.043 0.000 1.122 13 Q HN 0.407 nan 8.270 nan 0.000 0.508 14 T N -0.268 114.314 114.554 0.047 0.000 2.907 14 T HA 0.408 4.758 4.350 -0.001 0.000 0.292 14 T C 0.570 175.385 174.700 0.191 0.000 1.043 14 T CA -0.624 61.540 62.100 0.105 0.000 1.003 14 T CB 1.090 69.997 68.868 0.065 0.000 1.084 14 T HN -0.062 nan 8.240 nan 0.000 0.483 15 F N 1.228 121.144 119.950 -0.058 0.000 2.095 15 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 15 F C 2.824 178.596 175.800 -0.047 0.000 1.104 15 F CA 1.136 59.099 58.000 -0.061 0.000 1.232 15 F CB -0.213 38.750 39.000 -0.061 0.000 0.987 15 F HN 0.748 nan 8.300 nan 0.000 0.475 16 A N 0.134 123.049 122.820 0.158 0.000 1.940 16 A HA -0.315 4.004 4.320 -0.001 0.000 0.221 16 A C 1.665 179.268 177.584 0.033 0.000 1.190 16 A CA 2.447 54.529 52.037 0.075 0.000 0.647 16 A CB -0.959 18.082 19.000 0.069 0.000 0.821 16 A HN 0.346 nan 8.150 nan 0.000 0.457 17 D N -0.941 119.478 120.400 0.032 0.000 2.310 17 D HA 0.052 4.691 4.640 -0.001 0.000 0.212 17 D C 0.476 176.755 176.300 -0.036 0.000 0.965 17 D CA 0.388 54.394 54.000 0.009 0.000 0.879 17 D CB -0.240 40.572 40.800 0.020 0.000 0.921 17 D HN 0.213 nan 8.370 nan 0.000 0.510 18 V N 1.192 121.059 119.914 -0.078 0.000 2.583 18 V HA 0.079 4.198 4.120 -0.001 0.000 0.287 18 V C 0.454 176.482 176.094 -0.110 0.000 1.051 18 V CA -0.593 61.630 62.300 -0.127 0.000 1.010 18 V CB 1.913 33.594 31.823 -0.236 0.000 0.988 18 V HN -0.199 nan 8.190 nan 0.000 0.478 19 V N 6.057 125.911 119.914 -0.100 0.000 2.488 19 V HA 0.560 4.680 4.120 -0.001 0.000 0.277 19 V C 1.186 177.229 176.094 -0.085 0.000 1.046 19 V CA 0.966 63.215 62.300 -0.086 0.000 0.986 19 V CB 0.196 31.976 31.823 -0.071 0.000 0.989 19 V HN 1.274 nan 8.190 nan 0.000 0.475 20 G N 4.156 112.912 108.800 -0.073 0.000 2.602 20 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.306 20 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.306 20 G C 0.205 175.060 174.900 -0.075 0.000 1.301 20 G CA 0.413 45.484 45.100 -0.049 0.000 0.974 20 G HN 0.996 nan 8.290 nan 0.000 0.547 21 Q N -1.280 118.493 119.800 -0.045 0.000 2.494 21 Q HA -0.195 4.144 4.340 -0.001 0.000 0.272 21 Q C 1.231 177.075 176.000 -0.260 0.000 1.145 21 Q CA 1.991 57.704 55.803 -0.151 0.000 0.943 21 Q CB -1.788 26.838 28.738 -0.187 0.000 1.338 21 Q HN 0.955 nan 8.270 nan 0.000 0.492 22 E N -0.431 119.717 120.200 -0.086 0.000 2.358 22 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 22 E C 1.590 178.166 176.600 -0.040 0.000 1.010 22 E CA 1.031 57.397 56.400 -0.057 0.000 0.856 22 E CB -0.066 29.644 29.700 0.016 0.000 0.795 22 E HN 0.689 nan 8.360 nan 0.000 0.504 23 H N -1.013 118.073 119.070 0.027 0.000 2.547 23 H HA 0.151 4.706 4.556 -0.000 0.000 0.266 23 H C 1.524 176.906 175.328 0.090 0.000 0.988 23 H CA 0.326 56.415 56.048 0.068 0.000 1.147 23 H CB 0.122 29.937 29.762 0.087 0.000 1.365 23 H HN 0.023 nan 8.280 nan 0.000 0.589 24 V N 0.961 120.594 119.914 -0.468 0.000 2.627 24 V HA -0.067 4.052 4.120 -0.001 0.000 0.239 24 V C 2.762 178.657 176.094 -0.331 0.000 1.077 24 V CA 0.316 62.373 62.300 -0.405 0.000 1.103 24 V CB -0.178 31.387 31.823 -0.429 0.000 0.802 24 V HN 0.185 nan 8.190 nan 0.000 0.482 25 L N 0.137 121.194 121.223 -0.277 0.000 1.990 25 L HA -0.248 4.091 4.340 -0.001 0.000 0.213 25 L C 2.594 179.470 176.870 0.011 0.000 1.072 25 L CA 2.313 57.050 54.840 -0.171 0.000 0.755 25 L CB -1.241 40.680 42.059 -0.229 0.000 0.889 25 L HN 0.350 nan 8.230 nan 0.000 0.432 26 T N -0.253 114.307 114.554 0.009 0.000 2.759 26 T HA -0.180 4.169 4.350 -0.001 0.000 0.269 26 T C 1.856 176.607 174.700 0.084 0.000 1.042 26 T CA 1.427 63.566 62.100 0.064 0.000 1.140 26 T CB -0.180 68.728 68.868 0.067 0.000 0.864 26 T HN 0.489 nan 8.240 nan 0.000 0.455 27 A N 0.463 123.330 122.820 0.077 0.000 2.021 27 A HA 0.230 4.549 4.320 -0.001 0.000 0.216 27 A C 2.240 179.906 177.584 0.137 0.000 1.163 27 A CA 0.541 52.665 52.037 0.144 0.000 0.676 27 A CB -0.451 18.707 19.000 0.263 0.000 0.818 27 A HN 0.422 nan 8.150 nan 0.000 0.453 28 L N -0.663 120.582 121.223 0.037 0.000 1.973 28 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 28 L C 3.166 180.115 176.870 0.131 0.000 1.073 28 L CA 1.197 56.095 54.840 0.098 0.000 0.746 28 L CB -0.872 41.239 42.059 0.086 0.000 0.891 28 L HN 0.439 nan 8.230 nan 0.000 0.433 29 A N 0.768 123.680 122.820 0.154 0.000 1.870 29 A HA -0.331 3.988 4.320 -0.001 0.000 0.219 29 A C 2.007 179.628 177.584 0.061 0.000 1.224 29 A CA 2.646 54.733 52.037 0.083 0.000 0.650 29 A CB -1.026 18.041 19.000 0.112 0.000 0.836 29 A HN 0.498 nan 8.150 nan 0.000 0.454 30 N N -0.149 118.602 118.700 0.085 0.000 2.094 30 N HA -0.122 4.617 4.740 -0.001 0.000 0.191 30 N C 1.783 177.353 175.510 0.101 0.000 1.023 30 N CA 1.636 54.736 53.050 0.084 0.000 0.857 30 N CB -0.952 37.590 38.487 0.092 0.000 1.013 30 N HN 0.541 nan 8.380 nan 0.000 0.426 31 G N 0.683 109.569 108.800 0.144 0.000 2.422 31 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 31 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 31 G C 1.673 176.658 174.900 0.142 0.000 1.146 31 G CA 0.425 45.636 45.100 0.184 0.000 0.769 31 G HN 0.219 nan 8.290 nan 0.000 0.547 32 L N 0.426 121.707 121.223 0.097 0.000 1.973 32 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 32 L C 3.043 179.940 176.870 0.046 0.000 1.073 32 L CA 1.342 56.213 54.840 0.052 0.000 0.746 32 L CB -0.866 41.184 42.059 -0.014 0.000 0.891 32 L HN 0.331 nan 8.230 nan 0.000 0.433 33 S N 0.384 116.100 115.700 0.027 0.000 2.407 33 S HA -0.254 4.216 4.470 -0.001 0.000 0.244 33 S C 1.484 176.108 174.600 0.041 0.000 1.077 33 S CA 1.841 60.057 58.200 0.026 0.000 1.159 33 S CB -0.455 62.759 63.200 0.024 0.000 1.045 33 S HN 0.336 nan 8.310 nan 0.000 0.438 34 L N 0.895 122.152 121.223 0.056 0.000 2.783 34 L HA 0.355 4.694 4.340 -0.001 0.000 0.236 34 L C 1.474 178.382 176.870 0.063 0.000 1.225 34 L CA 0.177 55.051 54.840 0.056 0.000 1.026 34 L CB -0.421 41.673 42.059 0.059 0.000 1.314 34 L HN 0.595 nan 8.230 nan 0.000 0.489 35 G N 1.004 109.847 108.800 0.071 0.000 2.187 35 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 35 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 35 G C 0.487 175.437 174.900 0.082 0.000 1.000 35 G CA 0.034 45.181 45.100 0.079 0.000 0.718 35 G HN 0.513 nan 8.290 nan 0.000 0.519 36 R N 0.440 120.998 120.500 0.096 0.000 3.070 36 R HA 0.323 4.662 4.340 -0.001 0.000 0.252 36 R C 0.228 176.622 176.300 0.156 0.000 1.370 36 R CA -0.452 55.692 56.100 0.072 0.000 1.482 36 R CB 0.302 30.650 30.300 0.080 0.000 1.220 36 R HN 0.281 nan 8.270 nan 0.000 0.622 37 I N 2.573 123.237 120.570 0.156 0.000 2.312 37 I HA 0.228 4.398 4.170 -0.001 0.000 0.290 37 I C 0.368 176.671 176.117 0.311 0.000 1.008 37 I CA -0.997 60.492 61.300 0.315 0.000 1.226 37 I CB 0.493 38.591 38.000 0.162 0.000 1.371 37 I HN 0.333 nan 8.210 nan 0.000 0.468 38 H N 4.200 123.454 119.070 0.307 0.000 2.671 38 H HA 0.147 4.703 4.556 -0.001 0.000 0.372 38 H C 1.113 176.604 175.328 0.272 0.000 1.227 38 H CA -0.248 55.908 56.048 0.180 0.000 1.426 38 H CB 0.232 29.884 29.762 -0.185 0.000 1.480 38 H HN 0.592 nan 8.280 nan 0.000 0.611 39 H N -0.606 118.611 119.070 0.245 0.000 2.524 39 H HA 0.450 5.005 4.556 -0.001 0.000 0.282 39 H C -0.080 175.435 175.328 0.313 0.000 1.016 39 H CA 0.364 56.547 56.048 0.226 0.000 1.270 39 H CB 0.447 30.314 29.762 0.176 0.000 1.394 39 H HN 0.532 nan 8.280 nan 0.000 0.568 40 A N 0.471 123.271 122.820 -0.033 0.000 2.500 40 A HA 0.446 4.765 4.320 -0.001 0.000 0.291 40 A C -1.929 175.662 177.584 0.013 0.000 1.048 40 A CA -0.805 51.287 52.037 0.092 0.000 0.791 40 A CB 0.657 19.634 19.000 -0.038 0.000 1.309 40 A HN 0.191 nan 8.150 nan 0.000 0.397 41 Y N 1.117 121.400 120.300 -0.028 0.000 2.420 41 Y HA 0.706 5.255 4.550 -0.001 0.000 0.334 41 Y C -0.093 175.719 175.900 -0.148 0.000 1.094 41 Y CA -1.258 56.763 58.100 -0.133 0.000 1.126 41 Y CB 1.988 40.388 38.460 -0.100 0.000 1.217 41 Y HN 0.632 nan 8.280 nan 0.000 0.462 42 L N 3.862 124.977 121.223 -0.178 0.000 2.349 42 L HA 0.616 4.955 4.340 -0.001 0.000 0.278 42 L C -1.946 174.800 176.870 -0.207 0.000 0.996 42 L CA -0.917 53.861 54.840 -0.102 0.000 0.825 42 L CB 0.289 42.304 42.059 -0.073 0.000 1.243 42 L HN 0.380 nan 8.230 nan 0.000 0.412 43 F N 3.840 123.887 119.950 0.162 0.000 2.402 43 F HA 0.683 5.209 4.527 -0.001 0.000 0.355 43 F C 0.585 176.448 175.800 0.105 0.000 1.123 43 F CA -0.219 57.868 58.000 0.145 0.000 1.021 43 F CB 1.843 40.903 39.000 0.100 0.000 1.160 43 F HN 0.611 nan 8.300 nan 0.000 0.451 44 S N 1.621 117.469 115.700 0.247 0.000 2.709 44 S HA 1.032 5.501 4.470 -0.001 0.000 0.302 44 S C -0.215 174.384 174.600 -0.002 0.000 1.127 44 S CA -0.402 57.900 58.200 0.171 0.000 0.905 44 S CB 2.045 65.388 63.200 0.239 0.000 1.151 44 S HN 1.366 nan 8.310 nan 0.000 0.510 45 G N 0.173 108.946 108.800 -0.044 0.000 2.334 45 G HA2 0.321 4.280 3.960 -0.001 0.000 0.315 45 G HA3 0.321 4.280 3.960 -0.001 0.000 0.315 45 G C -0.726 174.154 174.900 -0.033 0.000 1.284 45 G CA -0.369 44.603 45.100 -0.213 0.000 0.985 45 G HN 1.273 nan 8.290 nan 0.000 0.504 46 T N 0.563 115.096 114.554 -0.034 0.000 2.918 46 T HA 0.604 4.954 4.350 -0.001 0.000 0.283 46 T C 0.770 175.470 174.700 0.001 0.000 1.001 46 T CA -0.407 61.695 62.100 0.002 0.000 1.041 46 T CB 1.214 70.087 68.868 0.008 0.000 1.028 46 T HN 1.173 nan 8.240 nan 0.000 0.511 47 R N 0.784 121.291 120.500 0.010 0.000 2.504 47 R HA 0.061 4.401 4.340 -0.001 0.000 0.302 47 R C 0.743 177.043 176.300 -0.001 0.000 0.893 47 R CA 0.824 56.931 56.100 0.010 0.000 1.138 47 R CB -1.703 28.604 30.300 0.011 0.000 0.880 47 R HN 1.420 nan 8.270 nan 0.000 0.415 48 G N 1.948 110.746 108.800 -0.004 0.000 2.256 48 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.272 48 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.272 48 G C 0.122 175.007 174.900 -0.025 0.000 1.076 48 G CA -0.018 45.074 45.100 -0.013 0.000 0.882 48 G HN 0.553 nan 8.290 nan 0.000 0.497 49 V N -1.115 118.778 119.914 -0.034 0.000 3.502 49 V HA 0.590 4.709 4.120 -0.001 0.000 0.288 49 V C 1.871 177.924 176.094 -0.070 0.000 1.461 49 V CA 1.068 63.341 62.300 -0.046 0.000 1.029 49 V CB 0.538 32.335 31.823 -0.043 0.000 0.843 49 V HN 1.949 nan 8.190 nan 0.000 0.438 50 G N 0.429 109.182 108.800 -0.079 0.000 2.173 50 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.142 50 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.142 50 G C 0.756 175.558 174.900 -0.163 0.000 1.019 50 G CA 0.265 45.291 45.100 -0.123 0.000 0.699 50 G HN 0.322 nan 8.290 nan 0.000 0.495 51 K N 0.140 120.476 120.400 -0.107 0.000 2.001 51 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 51 K C 2.860 179.342 176.600 -0.197 0.000 1.050 51 K CA 2.322 58.550 56.287 -0.099 0.000 0.934 51 K CB -0.292 32.220 32.500 0.020 0.000 0.718 51 K HN 0.528 nan 8.250 nan 0.000 0.443 52 T N -1.940 112.541 114.554 -0.121 0.000 3.043 52 T HA 0.050 4.399 4.350 -0.001 0.000 0.263 52 T C 1.999 176.595 174.700 -0.173 0.000 1.094 52 T CA 1.000 63.025 62.100 -0.125 0.000 1.127 52 T CB 0.124 68.963 68.868 -0.048 0.000 0.905 52 T HN -0.051 nan 8.240 nan 0.000 0.490 53 S N 1.512 117.107 115.700 -0.176 0.000 2.355 53 S HA 0.128 4.597 4.470 -0.001 0.000 0.222 53 S C 1.893 176.345 174.600 -0.248 0.000 1.031 53 S CA 1.181 59.278 58.200 -0.172 0.000 0.993 53 S CB -0.406 62.709 63.200 -0.141 0.000 0.859 53 S HN 0.517 nan 8.310 nan 0.000 0.453 54 I N 1.727 122.073 120.570 -0.373 0.000 2.394 54 I HA -0.171 3.998 4.170 -0.001 0.000 0.251 54 I C 2.673 178.468 176.117 -0.536 0.000 1.136 54 I CA 0.840 61.840 61.300 -0.500 0.000 1.425 54 I CB -0.570 37.045 38.000 -0.642 0.000 1.079 54 I HN 0.245 nan 8.210 nan 0.000 0.425 55 A N 1.332 123.779 122.820 -0.621 0.000 1.892 55 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 55 A C 2.394 179.859 177.584 -0.198 0.000 1.188 55 A CA 1.669 53.451 52.037 -0.426 0.000 0.631 55 A CB -0.616 18.232 19.000 -0.253 0.000 0.822 55 A HN 0.342 nan 8.150 nan 0.000 0.447 56 R N -0.579 119.823 120.500 -0.163 0.000 2.189 56 R HA 0.034 4.373 4.340 -0.001 0.000 0.223 56 R C 1.946 178.198 176.300 -0.081 0.000 1.092 56 R CA 0.993 57.031 56.100 -0.104 0.000 0.989 56 R CB -0.390 29.857 30.300 -0.088 0.000 0.876 56 R HN 0.525 nan 8.270 nan 0.000 0.457 57 L N 0.023 121.210 121.223 -0.060 0.000 2.023 57 L HA -0.159 4.180 4.340 -0.001 0.000 0.205 57 L C 2.290 179.225 176.870 0.109 0.000 1.073 57 L CA 0.690 55.590 54.840 0.100 0.000 0.745 57 L CB -0.580 41.639 42.059 0.267 0.000 0.900 57 L HN 0.165 nan 8.230 nan 0.000 0.435 58 L N 0.746 122.015 121.223 0.075 0.000 2.103 58 L HA -0.254 4.085 4.340 -0.001 0.000 0.215 58 L C 2.627 179.448 176.870 -0.081 0.000 1.080 58 L CA 2.138 56.974 54.840 -0.006 0.000 0.764 58 L CB -0.789 41.228 42.059 -0.071 0.000 0.890 58 L HN 0.216 nan 8.230 nan 0.000 0.435 59 A N -1.347 121.422 122.820 -0.086 0.000 1.930 59 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 59 A C 2.330 179.829 177.584 -0.143 0.000 1.175 59 A CA 1.711 53.685 52.037 -0.105 0.000 0.627 59 A CB -0.381 18.560 19.000 -0.099 0.000 0.815 59 A HN 0.485 nan 8.150 nan 0.000 0.443 60 K N -0.832 119.481 120.400 -0.145 0.000 2.001 60 K HA -0.070 4.249 4.320 -0.001 0.000 0.208 60 K C 2.098 178.610 176.600 -0.147 0.000 1.048 60 K CA 1.104 57.287 56.287 -0.175 0.000 0.932 60 K CB -0.505 31.914 32.500 -0.134 0.000 0.715 60 K HN 0.439 nan 8.250 nan 0.000 0.437 61 G N 1.106 109.817 108.800 -0.148 0.000 2.498 61 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 61 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 61 G C 1.311 176.155 174.900 -0.093 0.000 1.119 61 G CA 0.392 45.387 45.100 -0.175 0.000 0.766 61 G HN 0.121 nan 8.290 nan 0.000 0.552 62 L N -0.486 120.700 121.223 -0.062 0.000 2.509 62 L HA 0.201 4.540 4.340 -0.001 0.000 0.222 62 L C 1.413 178.390 176.870 0.179 0.000 1.123 62 L CA 0.423 55.285 54.840 0.036 0.000 0.856 62 L CB 0.135 42.162 42.059 -0.054 0.000 0.985 62 L HN 0.134 nan 8.230 nan 0.000 0.456 63 N N -1.908 116.819 118.700 0.044 0.000 2.116 63 N HA 0.039 4.778 4.740 -0.001 0.000 0.230 63 N C -0.041 175.454 175.510 -0.025 0.000 1.326 63 N CA -0.148 52.929 53.050 0.045 0.000 0.867 63 N CB 0.556 39.022 38.487 -0.035 0.000 1.174 63 N HN 0.068 nan 8.380 nan 0.000 0.506 64 C N 1.313 120.584 119.300 -0.049 0.000 2.702 64 C HA 0.059 4.518 4.460 -0.001 0.000 0.411 64 C C 2.095 177.071 174.990 -0.024 0.000 1.286 64 C CA 0.192 59.174 59.018 -0.060 0.000 1.979 64 C CB 0.225 27.922 27.740 -0.071 0.000 2.728 64 C HN 0.446 nan 8.230 nan 0.000 0.652 65 E N 0.530 120.719 120.200 -0.020 0.000 2.150 65 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 65 E C 2.120 178.714 176.600 -0.009 0.000 0.985 65 E CA 1.795 58.194 56.400 -0.003 0.000 0.814 65 E CB -0.068 29.634 29.700 0.003 0.000 0.752 65 E HN 0.996 nan 8.360 nan 0.000 0.466 66 T N -1.781 112.762 114.554 -0.019 0.000 2.962 66 T HA 0.092 4.441 4.350 -0.001 0.000 0.270 66 T C 0.935 175.625 174.700 -0.017 0.000 1.088 66 T CA 0.749 62.837 62.100 -0.020 0.000 1.127 66 T CB 0.141 68.992 68.868 -0.029 0.000 0.883 66 T HN 0.279 nan 8.240 nan 0.000 0.493 67 G N 0.634 109.424 108.800 -0.016 0.000 2.440 67 G HA2 0.083 4.042 3.960 -0.001 0.000 0.684 67 G HA3 0.083 4.042 3.960 -0.001 0.000 0.684 67 G C -0.747 174.151 174.900 -0.004 0.000 1.309 67 G CA -0.737 44.360 45.100 -0.006 0.000 0.931 67 G HN 0.556 nan 8.290 nan 0.000 0.612 68 I N 1.447 122.033 120.570 0.026 0.000 3.022 68 I HA 0.236 4.406 4.170 -0.001 0.000 0.290 68 I C 1.020 177.129 176.117 -0.014 0.000 1.212 68 I CA 1.240 62.562 61.300 0.036 0.000 1.377 68 I CB -0.127 37.932 38.000 0.099 0.000 1.417 68 I HN 0.626 nan 8.210 nan 0.000 0.540 69 T N 3.991 118.504 114.554 -0.068 0.000 2.883 69 T HA 0.605 4.955 4.350 -0.001 0.000 0.301 69 T C 0.475 175.045 174.700 -0.218 0.000 1.158 69 T CA -0.097 61.936 62.100 -0.112 0.000 1.007 69 T CB 1.808 70.611 68.868 -0.109 0.000 1.186 69 T HN 0.537 nan 8.240 nan 0.000 0.499 70 A N 1.399 124.078 122.820 -0.234 0.000 2.238 70 A HA 0.287 4.607 4.320 -0.001 0.000 0.210 70 A C 1.148 178.437 177.584 -0.493 0.000 1.179 70 A CA 0.898 52.695 52.037 -0.400 0.000 0.827 70 A CB -0.262 18.623 19.000 -0.193 0.000 0.856 70 A HN 0.904 nan 8.150 nan 0.000 0.488 71 T N -0.580 113.794 114.554 -0.301 0.000 3.532 71 T HA 0.385 4.734 4.350 -0.001 0.000 0.241 71 T C -2.739 171.853 174.700 -0.180 0.000 1.238 71 T CA -1.666 60.307 62.100 -0.211 0.000 1.405 71 T CB 0.208 69.013 68.868 -0.105 0.000 0.971 71 T HN 0.142 nan 8.240 nan 0.000 0.640 72 P HA 0.041 nan 4.420 nan 0.000 0.267 72 P C 1.333 178.574 177.300 -0.098 0.000 1.195 72 P CA -0.262 62.741 63.100 -0.160 0.000 0.773 72 P CB 0.631 32.222 31.700 -0.181 0.000 0.837 73 C N -0.692 118.563 119.300 -0.075 0.000 2.551 73 C HA 0.375 4.834 4.460 -0.001 0.000 0.277 73 C C 1.895 176.860 174.990 -0.042 0.000 1.349 73 C CA 0.642 59.630 59.018 -0.051 0.000 1.750 73 C CB -1.400 26.314 27.740 -0.042 0.000 2.058 73 C HN 0.750 nan 8.230 nan 0.000 0.518 74 G N 0.757 109.527 108.800 -0.051 0.000 2.168 74 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.263 74 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.263 74 G C 0.778 175.654 174.900 -0.039 0.000 0.977 74 G CA 1.283 46.356 45.100 -0.046 0.000 0.659 74 G HN 1.636 nan 8.290 nan 0.000 0.533 75 V N -2.578 117.315 119.914 -0.035 0.000 3.137 75 V HA 0.288 4.408 4.120 -0.001 0.000 0.236 75 V C 2.144 178.226 176.094 -0.020 0.000 1.260 75 V CA 0.870 63.155 62.300 -0.025 0.000 1.244 75 V CB -0.735 31.076 31.823 -0.020 0.000 1.016 75 V HN 1.440 nan 8.190 nan 0.000 0.477 76 C N 1.814 121.101 119.300 -0.022 0.000 2.746 76 C HA 0.184 4.643 4.460 -0.001 0.000 0.403 76 C C 1.842 176.832 174.990 -0.001 0.000 1.270 76 C CA 0.549 59.560 59.018 -0.011 0.000 1.978 76 C CB -0.033 27.699 27.740 -0.014 0.000 2.724 76 C HN 0.644 nan 8.230 nan 0.000 0.678 77 D N 1.958 122.368 120.400 0.018 0.000 2.204 77 D HA -0.181 4.458 4.640 -0.001 0.000 0.189 77 D C 1.755 178.099 176.300 0.073 0.000 1.006 77 D CA 2.418 56.444 54.000 0.043 0.000 0.855 77 D CB -0.455 40.376 40.800 0.052 0.000 0.946 77 D HN 0.781 nan 8.370 nan 0.000 0.448 78 N N -0.304 118.449 118.700 0.087 0.000 2.137 78 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 78 N C 1.932 177.358 175.510 -0.139 0.000 1.017 78 N CA 0.799 53.885 53.050 0.059 0.000 0.859 78 N CB -0.643 37.852 38.487 0.013 0.000 1.002 78 N HN 0.291 nan 8.380 nan 0.000 0.428 79 C N 0.085 119.326 119.300 -0.098 0.000 2.486 79 C HA 0.134 4.593 4.460 -0.001 0.000 0.279 79 C C 2.546 177.489 174.990 -0.078 0.000 1.302 79 C CA 0.033 58.980 59.018 -0.118 0.000 1.720 79 C CB -0.667 27.018 27.740 -0.091 0.000 2.030 79 C HN 0.457 nan 8.230 nan 0.000 0.490 80 R N 0.710 121.187 120.500 -0.038 0.000 2.115 80 R HA -0.081 4.258 4.340 -0.001 0.000 0.226 80 R C 2.063 178.362 176.300 -0.002 0.000 1.100 80 R CA 0.973 57.059 56.100 -0.024 0.000 0.980 80 R CB -0.259 30.032 30.300 -0.015 0.000 0.875 80 R HN 0.619 nan 8.270 nan 0.000 0.445 81 E N 0.575 120.796 120.200 0.035 0.000 2.130 81 E HA -0.207 4.142 4.350 -0.001 0.000 0.196 81 E C 1.857 178.514 176.600 0.095 0.000 0.998 81 E CA 1.210 57.674 56.400 0.107 0.000 0.806 81 E CB 0.001 29.862 29.700 0.268 0.000 0.738 81 E HN 0.349 nan 8.360 nan 0.000 0.459 82 I N 0.306 120.871 120.570 -0.008 0.000 2.333 82 I HA -0.188 3.981 4.170 -0.001 0.000 0.246 82 I C 2.524 178.620 176.117 -0.036 0.000 1.106 82 I CA 0.787 62.058 61.300 -0.049 0.000 1.411 82 I CB -0.324 37.546 38.000 -0.216 0.000 1.082 82 I HN 0.119 nan 8.210 nan 0.000 0.420 83 E N 0.867 121.038 120.200 -0.049 0.000 2.114 83 E HA -0.282 4.067 4.350 -0.001 0.000 0.199 83 E C 2.244 178.826 176.600 -0.030 0.000 1.008 83 E CA 1.463 57.836 56.400 -0.045 0.000 0.810 83 E CB 0.156 29.827 29.700 -0.049 0.000 0.739 83 E HN 0.428 nan 8.360 nan 0.000 0.456 84 Q N -1.591 118.200 119.800 -0.014 0.000 2.049 84 Q HA -0.021 4.318 4.340 -0.001 0.000 0.198 84 Q C 1.778 177.778 176.000 -0.001 0.000 0.971 84 Q CA 1.603 57.401 55.803 -0.007 0.000 0.833 84 Q CB 0.630 29.371 28.738 0.005 0.000 0.896 84 Q HN 0.502 nan 8.270 nan 0.000 0.434 85 G N -0.224 108.584 108.800 0.014 0.000 3.345 85 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.199 85 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.199 85 G C 0.281 175.203 174.900 0.038 0.000 1.057 85 G CA -0.568 44.543 45.100 0.017 0.000 0.865 85 G HN 0.129 nan 8.290 nan 0.000 0.449 86 R N 0.439 120.968 120.500 0.047 0.000 2.471 86 R HA 0.530 4.869 4.340 -0.001 0.000 0.292 86 R C -1.498 174.866 176.300 0.105 0.000 1.192 86 R CA -0.475 55.654 56.100 0.048 0.000 1.257 86 R CB 0.235 30.543 30.300 0.013 0.000 1.130 86 R HN 0.165 nan 8.270 nan 0.000 0.558 87 F N 2.633 122.562 119.950 -0.035 0.000 2.445 87 F HA 0.148 4.674 4.527 -0.001 0.000 0.348 87 F C 1.109 176.882 175.800 -0.044 0.000 1.125 87 F CA -0.810 57.169 58.000 -0.035 0.000 0.983 87 F CB 1.127 40.107 39.000 -0.033 0.000 1.198 87 F HN 0.076 nan 8.300 nan 0.000 0.436 88 V N 3.432 123.012 119.914 -0.557 0.000 2.428 88 V HA -0.313 3.807 4.120 -0.001 0.000 0.255 88 V C 0.953 176.823 176.094 -0.373 0.000 1.080 88 V CA 2.251 64.293 62.300 -0.430 0.000 1.083 88 V CB -0.471 31.094 31.823 -0.431 0.000 0.665 88 V HN 0.710 nan 8.190 nan 0.000 0.461 89 D N -0.709 119.384 120.400 -0.512 0.000 2.593 89 D HA 0.258 4.897 4.640 -0.001 0.000 0.241 89 D C -0.188 176.200 176.300 0.147 0.000 1.257 89 D CA -0.129 53.799 54.000 -0.120 0.000 0.828 89 D CB 1.053 41.835 40.800 -0.029 0.000 1.049 89 D HN 0.281 nan 8.370 nan 0.000 0.490 90 L N 1.696 123.060 121.223 0.236 0.000 2.356 90 L HA 0.412 4.752 4.340 -0.001 0.000 0.264 90 L C -0.735 176.123 176.870 -0.021 0.000 1.029 90 L CA -0.498 54.421 54.840 0.132 0.000 0.897 90 L CB 0.509 42.690 42.059 0.204 0.000 1.256 90 L HN -0.118 nan 8.230 nan 0.000 0.444 91 I N 3.760 124.225 120.570 -0.175 0.000 2.256 91 I HA 0.230 4.399 4.170 -0.001 0.000 0.294 91 I C 0.380 176.448 176.117 -0.081 0.000 1.127 91 I CA -0.103 61.081 61.300 -0.193 0.000 1.247 91 I CB 0.407 38.134 38.000 -0.455 0.000 1.460 91 I HN 0.576 nan 8.210 nan 0.000 0.511 92 E N 5.991 126.179 120.200 -0.020 0.000 2.052 92 E HA 0.273 4.623 4.350 -0.001 0.000 0.283 92 E C -0.726 175.894 176.600 0.032 0.000 1.071 92 E CA -0.815 55.596 56.400 0.018 0.000 0.851 92 E CB 0.695 30.404 29.700 0.014 0.000 1.066 92 E HN 0.394 nan 8.360 nan 0.000 0.396 93 I N 4.515 125.124 120.570 0.065 0.000 2.325 93 I HA -0.003 4.166 4.170 -0.001 0.000 0.291 93 I C 0.092 176.235 176.117 0.044 0.000 1.019 93 I CA -0.373 60.966 61.300 0.065 0.000 1.302 93 I CB 1.183 39.249 38.000 0.109 0.000 1.401 93 I HN 0.416 nan 8.210 nan 0.000 0.485 94 D N 6.783 127.197 120.400 0.023 0.000 2.470 94 D HA 0.174 4.813 4.640 -0.001 0.000 0.226 94 D C 0.979 177.274 176.300 -0.007 0.000 1.196 94 D CA -0.088 53.917 54.000 0.008 0.000 0.979 94 D CB 0.919 41.722 40.800 0.004 0.000 1.059 94 D HN 0.625 nan 8.370 nan 0.000 0.515 95 A N 3.300 126.109 122.820 -0.017 0.000 2.172 95 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 95 A C 1.983 179.519 177.584 -0.080 0.000 1.154 95 A CA 1.270 53.279 52.037 -0.046 0.000 0.701 95 A CB -0.091 18.874 19.000 -0.058 0.000 0.789 95 A HN 0.580 nan 8.150 nan 0.000 0.465 96 A N -0.291 122.484 122.820 -0.075 0.000 2.123 96 A HA 0.156 4.475 4.320 -0.001 0.000 0.214 96 A C 1.970 179.530 177.584 -0.041 0.000 1.152 96 A CA 1.435 53.425 52.037 -0.078 0.000 0.728 96 A CB -0.239 18.724 19.000 -0.061 0.000 0.814 96 A HN 0.769 nan 8.150 nan 0.000 0.464 97 S N -1.733 113.950 115.700 -0.029 0.000 2.603 97 S HA 0.322 4.791 4.470 -0.001 0.000 0.232 97 S C 0.533 175.121 174.600 -0.019 0.000 1.016 97 S CA -0.468 57.721 58.200 -0.019 0.000 0.976 97 S CB 0.353 63.547 63.200 -0.009 0.000 0.921 97 S HN 0.291 nan 8.310 nan 0.000 0.516 98 R N 2.419 122.904 120.500 -0.026 0.000 2.651 98 R HA 0.302 4.641 4.340 -0.001 0.000 0.282 98 R C 0.386 176.660 176.300 -0.043 0.000 1.565 98 R CA 0.420 56.506 56.100 -0.023 0.000 1.661 98 R CB 0.527 30.823 30.300 -0.007 0.000 1.189 98 R HN 0.538 nan 8.270 nan 0.000 0.621 99 T N -3.106 111.415 114.554 -0.055 0.000 2.971 99 T HA 0.228 4.578 4.350 -0.001 0.000 0.252 99 T C 0.776 175.426 174.700 -0.082 0.000 1.022 99 T CA 0.031 62.078 62.100 -0.088 0.000 0.980 99 T CB 0.795 69.610 68.868 -0.088 0.000 1.044 99 T HN 0.073 nan 8.240 nan 0.000 0.501 100 K N 0.598 120.966 120.400 -0.054 0.000 2.156 100 K HA 0.380 4.699 4.320 -0.001 0.000 0.242 100 K C 1.090 177.664 176.600 -0.042 0.000 1.033 100 K CA -0.178 56.081 56.287 -0.047 0.000 0.878 100 K CB 0.702 33.179 32.500 -0.037 0.000 1.057 100 K HN -0.150 nan 8.250 nan 0.000 0.505 101 V N 0.882 120.775 119.914 -0.035 0.000 2.379 101 V HA -0.162 3.958 4.120 -0.001 0.000 0.243 101 V C 2.114 178.204 176.094 -0.006 0.000 1.035 101 V CA 1.493 63.786 62.300 -0.012 0.000 1.035 101 V CB -0.450 31.381 31.823 0.015 0.000 0.673 101 V HN 0.816 nan 8.190 nan 0.000 0.457 102 E N 0.210 120.402 120.200 -0.013 0.000 2.164 102 E HA -0.343 4.006 4.350 -0.001 0.000 0.206 102 E C 1.626 178.228 176.600 0.003 0.000 1.032 102 E CA 2.145 58.542 56.400 -0.005 0.000 0.832 102 E CB -0.026 29.668 29.700 -0.011 0.000 0.742 102 E HN 0.645 nan 8.360 nan 0.000 0.460 103 D N -1.366 119.033 120.400 -0.001 0.000 2.249 103 D HA -0.046 4.593 4.640 -0.001 0.000 0.205 103 D C 1.758 178.068 176.300 0.017 0.000 0.962 103 D CA 1.004 55.008 54.000 0.006 0.000 0.860 103 D CB -0.293 40.506 40.800 -0.002 0.000 0.955 103 D HN 0.129 nan 8.370 nan 0.000 0.505 104 T N 0.369 114.927 114.554 0.007 0.000 2.896 104 T HA -0.008 4.342 4.350 -0.001 0.000 0.263 104 T C 1.957 176.675 174.700 0.030 0.000 1.050 104 T CA 0.443 62.552 62.100 0.015 0.000 1.140 104 T CB 0.185 69.044 68.868 -0.016 0.000 0.877 104 T HN 0.034 nan 8.240 nan 0.000 0.457 105 R N 0.880 121.396 120.500 0.027 0.000 2.105 105 R HA -0.104 4.236 4.340 -0.001 0.000 0.239 105 R C 1.919 178.246 176.300 0.045 0.000 1.135 105 R CA 1.539 57.661 56.100 0.035 0.000 0.967 105 R CB -0.098 30.221 30.300 0.032 0.000 0.861 105 R HN 0.312 nan 8.270 nan 0.000 0.442 106 D N 0.079 120.505 120.400 0.043 0.000 2.120 106 D HA -0.120 4.519 4.640 -0.001 0.000 0.202 106 D C 1.741 178.085 176.300 0.073 0.000 0.972 106 D CA 0.544 54.574 54.000 0.049 0.000 0.837 106 D CB -0.344 40.477 40.800 0.034 0.000 0.989 106 D HN 0.017 nan 8.370 nan 0.000 0.469 107 L N 0.939 122.212 121.223 0.085 0.000 2.010 107 L HA -0.187 4.152 4.340 -0.001 0.000 0.219 107 L C 1.862 178.827 176.870 0.158 0.000 1.077 107 L CA 1.716 56.641 54.840 0.141 0.000 0.773 107 L CB -0.591 41.559 42.059 0.151 0.000 0.892 107 L HN 0.061 nan 8.230 nan 0.000 0.436 108 L N -0.833 120.449 121.223 0.098 0.000 2.610 108 L HA -0.063 4.276 4.340 -0.001 0.000 0.232 108 L C 1.555 178.485 176.870 0.100 0.000 1.149 108 L CA 0.287 55.170 54.840 0.071 0.000 0.872 108 L CB -0.801 41.283 42.059 0.041 0.000 0.992 108 L HN 0.279 nan 8.230 nan 0.000 0.447 109 D N 0.168 120.634 120.400 0.109 0.000 2.317 109 D HA -0.098 4.541 4.640 -0.001 0.000 0.211 109 D C 1.589 178.008 176.300 0.200 0.000 0.966 109 D CA 0.780 54.859 54.000 0.132 0.000 0.876 109 D CB 0.105 40.964 40.800 0.098 0.000 0.927 109 D HN 0.174 nan 8.370 nan 0.000 0.519 110 N N -0.176 118.633 118.700 0.181 0.000 2.280 110 N HA -0.037 4.702 4.740 -0.001 0.000 0.192 110 N C 1.552 177.260 175.510 0.330 0.000 1.109 110 N CA -0.053 53.129 53.050 0.219 0.000 0.855 110 N CB 0.511 39.064 38.487 0.110 0.000 0.974 110 N HN -0.023 nan 8.380 nan 0.000 0.482 111 V N 0.481 120.544 119.914 0.249 0.000 2.469 111 V HA -0.236 3.883 4.120 -0.001 0.000 0.251 111 V C 2.198 178.412 176.094 0.200 0.000 1.064 111 V CA 1.835 64.225 62.300 0.150 0.000 1.066 111 V CB -0.046 31.765 31.823 -0.020 0.000 0.667 111 V HN 0.237 nan 8.190 nan 0.000 0.461 112 Q N -0.462 119.497 119.800 0.265 0.000 2.187 112 Q HA -0.025 4.314 4.340 -0.001 0.000 0.199 112 Q C 0.362 176.497 176.000 0.225 0.000 0.957 112 Q CA 0.847 56.782 55.803 0.220 0.000 0.857 112 Q CB -0.365 28.426 28.738 0.089 0.000 0.929 112 Q HN 0.728 nan 8.270 nan 0.000 0.453 113 Y N 0.729 121.148 120.300 0.198 0.000 2.717 113 Y HA 0.185 4.735 4.550 -0.001 0.000 0.330 113 Y C 0.759 176.816 175.900 0.262 0.000 1.217 113 Y CA -0.321 57.879 58.100 0.167 0.000 1.506 113 Y CB 0.172 38.697 38.460 0.108 0.000 1.268 113 Y HN 0.144 nan 8.280 nan 0.000 0.561 114 A N 6.513 129.456 122.820 0.206 0.000 2.448 114 A HA 0.251 4.571 4.320 -0.001 0.000 0.239 114 A C -2.137 175.585 177.584 0.229 0.000 1.080 114 A CA -1.277 50.839 52.037 0.132 0.000 0.779 114 A CB -0.462 18.479 19.000 -0.098 0.000 1.026 114 A HN 0.547 nan 8.150 nan 0.000 0.499 115 P HA 0.326 nan 4.420 nan 0.000 0.279 115 P C -0.070 177.261 177.300 0.052 0.000 1.239 115 P CA 0.150 63.334 63.100 0.142 0.000 0.789 115 P CB 1.535 33.334 31.700 0.164 0.000 0.933 116 A N 3.050 125.868 122.820 -0.004 0.000 2.348 116 A HA 0.150 4.469 4.320 -0.001 0.000 0.224 116 A C 1.819 179.360 177.584 -0.072 0.000 1.227 116 A CA 0.219 52.235 52.037 -0.036 0.000 0.885 116 A CB -0.223 18.748 19.000 -0.049 0.000 0.933 116 A HN 0.486 nan 8.150 nan 0.000 0.506 117 R N -1.775 118.673 120.500 -0.086 0.000 2.716 117 R HA 0.177 4.517 4.340 -0.001 0.000 0.186 117 R C 0.957 177.290 176.300 0.055 0.000 0.830 117 R CA 0.784 56.846 56.100 -0.063 0.000 1.059 117 R CB 0.710 30.890 30.300 -0.199 0.000 1.531 117 R HN 0.410 nan 8.270 nan 0.000 0.633 118 G N -0.421 108.458 108.800 0.132 0.000 3.016 118 G HA2 0.274 4.233 3.960 -0.001 0.000 0.270 118 G HA3 0.274 4.233 3.960 -0.001 0.000 0.270 118 G C 0.161 175.100 174.900 0.064 0.000 1.352 118 G CA -0.522 44.684 45.100 0.177 0.000 1.060 118 G HN 0.026 nan 8.290 nan 0.000 0.538 119 R N -1.398 119.096 120.500 -0.009 0.000 2.152 119 R HA 0.066 4.405 4.340 -0.001 0.000 0.232 119 R C -0.412 175.630 176.300 -0.429 0.000 1.117 119 R CA 1.032 56.960 56.100 -0.287 0.000 0.981 119 R CB -0.129 29.929 30.300 -0.403 0.000 0.870 119 R HN 0.229 nan 8.270 nan 0.000 0.451 120 F N -0.118 119.901 119.950 0.115 0.000 2.596 120 F HA 0.316 4.842 4.527 -0.001 0.000 0.311 120 F C -0.375 175.483 175.800 0.097 0.000 1.116 120 F CA -1.393 56.670 58.000 0.105 0.000 0.957 120 F CB 1.781 40.822 39.000 0.067 0.000 1.250 120 F HN -0.358 nan 8.300 nan 0.000 0.444 121 K N 2.641 123.213 120.400 0.287 0.000 2.338 121 K HA 0.499 4.818 4.320 -0.001 0.000 0.290 121 K C -1.090 175.555 176.600 0.076 0.000 1.069 121 K CA -0.151 56.214 56.287 0.131 0.000 0.941 121 K CB 0.564 33.130 32.500 0.110 0.000 1.023 121 K HN 0.429 nan 8.250 nan 0.000 0.477 122 V N 6.195 126.114 119.914 0.009 0.000 2.318 122 V HA 0.148 4.268 4.120 -0.001 0.000 0.271 122 V C -0.796 175.224 176.094 -0.122 0.000 1.030 122 V CA -0.794 61.488 62.300 -0.030 0.000 0.844 122 V CB 0.147 31.967 31.823 -0.005 0.000 1.015 122 V HN 0.554 nan 8.190 nan 0.000 0.460 123 Y N 5.155 125.364 120.300 -0.151 0.000 2.452 123 Y HA 0.439 4.988 4.550 -0.001 0.000 0.348 123 Y C 0.052 176.001 175.900 0.082 0.000 0.985 123 Y CA -0.695 57.384 58.100 -0.035 0.000 1.214 123 Y CB 1.163 39.582 38.460 -0.069 0.000 1.136 123 Y HN 0.494 nan 8.280 nan 0.000 0.523 124 L N 6.462 127.785 121.223 0.166 0.000 2.283 124 L HA 0.494 4.833 4.340 -0.001 0.000 0.281 124 L C -0.908 176.061 176.870 0.165 0.000 1.033 124 L CA -0.656 54.278 54.840 0.157 0.000 0.848 124 L CB -0.152 41.952 42.059 0.075 0.000 1.226 124 L HN 0.458 nan 8.230 nan 0.000 0.429 125 I N 4.231 124.927 120.570 0.210 0.000 2.307 125 I HA 0.298 4.467 4.170 -0.001 0.000 0.289 125 I C -0.437 175.759 176.117 0.131 0.000 1.021 125 I CA -0.439 60.962 61.300 0.169 0.000 1.224 125 I CB 1.268 39.384 38.000 0.195 0.000 1.376 125 I HN 0.485 nan 8.210 nan 0.000 0.470 126 D N 6.231 126.681 120.400 0.083 0.000 2.248 126 D HA 0.192 4.831 4.640 -0.001 0.000 0.246 126 D C 0.049 176.359 176.300 0.017 0.000 1.027 126 D CA 0.040 54.078 54.000 0.064 0.000 0.853 126 D CB 1.312 42.141 40.800 0.048 0.000 1.243 126 D HN 0.359 nan 8.370 nan 0.000 0.462 127 E N 1.192 121.406 120.200 0.023 0.000 2.297 127 E HA -0.154 4.196 4.350 -0.001 0.000 0.228 127 E C 0.885 177.309 176.600 -0.292 0.000 1.213 127 E CA 0.266 56.612 56.400 -0.090 0.000 0.712 127 E CB -1.840 27.812 29.700 -0.080 0.000 1.202 127 E HN 0.298 nan 8.360 nan 0.000 0.376 128 V N 1.114 120.982 119.914 -0.077 0.000 3.305 128 V HA -0.202 3.917 4.120 -0.001 0.000 0.269 128 V C 2.332 178.455 176.094 0.048 0.000 1.157 128 V CA 2.033 64.330 62.300 -0.005 0.000 1.157 128 V CB -0.527 31.379 31.823 0.138 0.000 0.772 128 V HN 0.627 nan 8.190 nan 0.000 0.498 129 H N -1.791 117.380 119.070 0.168 0.000 2.491 129 H HA -0.074 4.482 4.556 -0.001 0.000 0.290 129 H C 1.855 177.289 175.328 0.177 0.000 1.050 129 H CA 1.195 57.370 56.048 0.211 0.000 1.309 129 H CB -0.458 29.383 29.762 0.132 0.000 1.392 129 H HN 0.383 nan 8.280 nan 0.000 0.554 130 M N 1.253 120.720 119.600 -0.221 0.000 2.557 130 M HA 0.126 4.606 4.480 -0.001 0.000 0.259 130 M C 0.885 177.116 176.300 -0.116 0.000 1.086 130 M CA 0.094 55.338 55.300 -0.093 0.000 1.096 130 M CB -0.523 31.969 32.600 -0.180 0.000 1.424 130 M HN 0.161 nan 8.290 nan 0.000 0.488 131 L N 1.272 122.330 121.223 -0.274 0.000 2.456 131 L HA 0.025 4.364 4.340 -0.001 0.000 0.272 131 L C 1.116 177.709 176.870 -0.462 0.000 1.189 131 L CA -0.443 54.098 54.840 -0.500 0.000 0.846 131 L CB 0.338 41.823 42.059 -0.957 0.000 1.111 131 L HN 0.261 nan 8.230 nan 0.000 0.475 132 S N 3.095 118.637 115.700 -0.264 0.000 2.598 132 S HA 0.137 4.607 4.470 -0.001 0.000 0.256 132 S C 1.246 175.839 174.600 -0.012 0.000 1.350 132 S CA -0.657 57.497 58.200 -0.076 0.000 0.984 132 S CB 0.723 63.917 63.200 -0.011 0.000 0.930 132 S HN 0.547 nan 8.310 nan 0.000 0.577 133 R N 0.478 121.065 120.500 0.145 0.000 2.096 133 R HA -0.168 4.172 4.340 -0.001 0.000 0.240 133 R C 2.093 178.465 176.300 0.120 0.000 1.139 133 R CA 2.254 58.466 56.100 0.186 0.000 0.952 133 R CB -1.155 29.220 30.300 0.125 0.000 0.854 133 R HN 0.782 nan 8.270 nan 0.000 0.436 134 H N -0.399 118.686 119.070 0.024 0.000 2.395 134 H HA 0.058 4.614 4.556 -0.001 0.000 0.299 134 H C 2.231 177.548 175.328 -0.017 0.000 1.070 134 H CA 1.481 57.536 56.048 0.011 0.000 1.356 134 H CB 0.051 29.811 29.762 -0.003 0.000 1.401 134 H HN 0.063 nan 8.280 nan 0.000 0.524 135 S N -0.418 115.301 115.700 0.032 0.000 2.423 135 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 135 S C 1.677 176.220 174.600 -0.096 0.000 1.014 135 S CA 0.722 58.873 58.200 -0.081 0.000 0.965 135 S CB -0.215 62.872 63.200 -0.189 0.000 0.785 135 S HN 0.312 nan 8.310 nan 0.000 0.495 136 F N 1.810 121.760 119.950 -0.000 0.000 2.098 136 F HA -0.074 4.452 4.527 -0.001 0.000 0.294 136 F C 2.364 178.134 175.800 -0.049 0.000 1.107 136 F CA 0.693 58.674 58.000 -0.031 0.000 1.234 136 F CB -0.404 38.578 39.000 -0.029 0.000 1.002 136 F HN 0.110 nan 8.300 nan 0.000 0.472 137 N N 0.452 119.240 118.700 0.146 0.000 2.132 137 N HA -0.237 4.503 4.740 -0.001 0.000 0.191 137 N C 1.654 177.180 175.510 0.028 0.000 1.015 137 N CA 1.535 54.609 53.050 0.041 0.000 0.864 137 N CB -0.457 38.009 38.487 -0.035 0.000 1.006 137 N HN 0.298 nan 8.380 nan 0.000 0.430 138 A N -0.015 122.825 122.820 0.033 0.000 1.872 138 A HA -0.023 4.296 4.320 -0.001 0.000 0.214 138 A C 2.103 179.685 177.584 -0.003 0.000 1.187 138 A CA 0.884 52.932 52.037 0.018 0.000 0.614 138 A CB -0.792 18.223 19.000 0.024 0.000 0.826 138 A HN 0.275 nan 8.150 nan 0.000 0.442 139 L N -0.389 120.831 121.223 -0.006 0.000 2.043 139 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 139 L C 2.218 179.029 176.870 -0.099 0.000 1.075 139 L CA 2.230 57.028 54.840 -0.069 0.000 0.752 139 L CB -0.713 41.330 42.059 -0.026 0.000 0.891 139 L HN 0.376 nan 8.230 nan 0.000 0.432 140 L N -0.613 120.592 121.223 -0.029 0.000 2.131 140 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 140 L C 2.381 179.228 176.870 -0.038 0.000 1.092 140 L CA 1.689 56.504 54.840 -0.042 0.000 0.759 140 L CB -0.657 41.392 42.059 -0.017 0.000 0.903 140 L HN 0.242 nan 8.230 nan 0.000 0.435 141 K N -1.405 118.982 120.400 -0.023 0.000 2.211 141 K HA -0.066 4.253 4.320 -0.001 0.000 0.203 141 K C 1.689 178.286 176.600 -0.004 0.000 1.050 141 K CA 1.544 57.826 56.287 -0.008 0.000 0.945 141 K CB -0.081 32.421 32.500 0.003 0.000 0.732 141 K HN 0.345 nan 8.250 nan 0.000 0.451 142 T N 0.910 115.449 114.554 -0.025 0.000 3.067 142 T HA 0.103 4.453 4.350 -0.001 0.000 0.257 142 T C 1.440 176.149 174.700 0.015 0.000 1.105 142 T CA 0.507 62.609 62.100 0.003 0.000 1.104 142 T CB 0.182 69.052 68.868 0.004 0.000 0.925 142 T HN 0.084 nan 8.240 nan 0.000 0.498 143 L N 0.015 121.203 121.223 -0.058 0.000 2.513 143 L HA 0.299 4.639 4.340 -0.001 0.000 0.222 143 L C 2.337 179.259 176.870 0.087 0.000 1.096 143 L CA 0.546 55.398 54.840 0.020 0.000 0.857 143 L CB -0.147 41.859 42.059 -0.089 0.000 1.026 143 L HN 0.155 nan 8.230 nan 0.000 0.469 144 E N 0.873 121.091 120.200 0.030 0.000 2.216 144 E HA -0.052 4.297 4.350 -0.001 0.000 0.192 144 E C 0.061 176.664 176.600 0.006 0.000 0.988 144 E CA 0.647 57.058 56.400 0.017 0.000 0.834 144 E CB 0.400 30.101 29.700 0.002 0.000 0.772 144 E HN 0.456 nan 8.360 nan 0.000 0.479 145 E N 1.208 121.424 120.200 0.026 0.000 3.108 145 E HA 0.199 4.548 4.350 -0.001 0.000 0.228 145 E C -2.590 174.052 176.600 0.069 0.000 1.176 145 E CA -1.729 54.687 56.400 0.028 0.000 0.881 145 E CB 1.395 31.110 29.700 0.026 0.000 1.354 145 E HN 0.034 nan 8.360 nan 0.000 0.400 146 P HA 0.196 nan 4.420 nan 0.000 0.276 146 P C -2.346 175.037 177.300 0.138 0.000 1.235 146 P CA -1.309 61.893 63.100 0.171 0.000 0.772 146 P CB 0.094 31.932 31.700 0.230 0.000 0.871 147 P HA -0.024 nan 4.420 nan 0.000 0.271 147 P C 0.932 178.365 177.300 0.221 0.000 1.233 147 P CA 0.144 63.353 63.100 0.182 0.000 0.795 147 P CB 0.614 32.397 31.700 0.139 0.000 0.936 148 E N 0.154 120.551 120.200 0.330 0.000 2.122 148 E HA -0.147 4.203 4.350 -0.001 0.000 0.190 148 E C 1.509 178.363 176.600 0.423 0.000 0.977 148 E CA 1.207 57.791 56.400 0.307 0.000 0.820 148 E CB -0.495 29.335 29.700 0.217 0.000 0.770 148 E HN 0.505 nan 8.360 nan 0.000 0.462 149 H N -0.995 118.202 119.070 0.212 0.000 2.547 149 H HA 0.188 4.744 4.556 -0.001 0.000 0.266 149 H C -0.017 175.544 175.328 0.387 0.000 0.988 149 H CA 0.071 56.280 56.048 0.269 0.000 1.147 149 H CB -0.823 29.013 29.762 0.123 0.000 1.365 149 H HN -0.102 nan 8.280 nan 0.000 0.589 150 V N 2.129 122.050 119.914 0.011 0.000 2.483 150 V HA 0.359 4.478 4.120 -0.001 0.000 0.295 150 V C -0.001 176.051 176.094 -0.070 0.000 1.035 150 V CA -0.934 61.304 62.300 -0.102 0.000 0.896 150 V CB 1.981 33.623 31.823 -0.302 0.000 0.986 150 V HN 0.090 nan 8.190 nan 0.000 0.447 151 K N 3.044 123.343 120.400 -0.168 0.000 2.375 151 K HA 0.663 4.982 4.320 -0.001 0.000 0.249 151 K C -1.392 175.068 176.600 -0.232 0.000 0.942 151 K CA -0.528 55.676 56.287 -0.138 0.000 0.806 151 K CB 2.333 34.703 32.500 -0.216 0.000 1.227 151 K HN 0.455 nan 8.250 nan 0.000 0.430 152 F N 1.795 121.826 119.950 0.135 0.000 2.467 152 F HA 0.450 4.977 4.527 -0.001 0.000 0.336 152 F C 0.002 175.908 175.800 0.176 0.000 1.123 152 F CA -0.728 57.366 58.000 0.156 0.000 0.964 152 F CB 1.196 40.260 39.000 0.107 0.000 1.136 152 F HN 0.055 nan 8.300 nan 0.000 0.447 153 L N 5.596 127.039 121.223 0.367 0.000 2.316 153 L HA 0.490 4.829 4.340 -0.001 0.000 0.280 153 L C -0.907 176.165 176.870 0.338 0.000 1.006 153 L CA -0.486 54.563 54.840 0.349 0.000 0.836 153 L CB 1.301 43.522 42.059 0.269 0.000 1.221 153 L HN 0.461 nan 8.230 nan 0.000 0.418 154 L N 3.429 124.844 121.223 0.321 0.000 2.296 154 L HA 0.737 5.076 4.340 -0.001 0.000 0.286 154 L C 0.086 177.128 176.870 0.288 0.000 1.023 154 L CA -0.409 54.584 54.840 0.254 0.000 0.812 154 L CB 1.876 44.041 42.059 0.177 0.000 1.223 154 L HN 0.657 nan 8.230 nan 0.000 0.421 155 A N 2.403 125.369 122.820 0.244 0.000 2.355 155 A HA 0.818 5.138 4.320 -0.001 0.000 0.317 155 A C -0.468 177.233 177.584 0.195 0.000 1.094 155 A CA -0.468 51.713 52.037 0.239 0.000 0.764 155 A CB 1.963 21.074 19.000 0.185 0.000 1.230 155 A HN 0.593 nan 8.150 nan 0.000 0.448 156 T N 0.343 115.023 114.554 0.209 0.000 3.047 156 T HA 0.415 4.764 4.350 -0.001 0.000 0.340 156 T C 1.020 175.836 174.700 0.195 0.000 1.421 156 T CA 0.313 62.560 62.100 0.245 0.000 1.090 156 T CB 1.029 70.075 68.868 0.297 0.000 1.292 156 T HN 0.750 nan 8.240 nan 0.000 0.480 157 T N 1.000 115.661 114.554 0.179 0.000 2.812 157 T HA 0.039 4.388 4.350 -0.001 0.000 0.264 157 T C 0.630 175.357 174.700 0.046 0.000 1.042 157 T CA 0.796 62.947 62.100 0.084 0.000 1.140 157 T CB -0.088 68.799 68.868 0.032 0.000 0.870 157 T HN 0.528 nan 8.240 nan 0.000 0.445 158 D N 2.248 122.640 120.400 -0.014 0.000 2.479 158 D HA 0.233 4.873 4.640 -0.001 0.000 0.247 158 D C -1.790 174.534 176.300 0.039 0.000 1.119 158 D CA -2.579 51.397 54.000 -0.040 0.000 0.922 158 D CB 1.474 42.166 40.800 -0.179 0.000 1.014 158 D HN 0.058 nan 8.370 nan 0.000 0.510 159 P HA -0.146 nan 4.420 nan 0.000 0.223 159 P C 1.268 178.572 177.300 0.008 0.000 1.151 159 P CA 0.580 63.712 63.100 0.054 0.000 0.787 159 P CB 0.414 32.146 31.700 0.053 0.000 0.788 160 Q N 1.229 121.027 119.800 -0.003 0.000 2.376 160 Q HA -0.164 4.175 4.340 -0.001 0.000 0.211 160 Q C 1.779 177.766 176.000 -0.023 0.000 0.986 160 Q CA 1.745 57.534 55.803 -0.023 0.000 0.886 160 Q CB -0.580 28.145 28.738 -0.022 0.000 0.927 160 Q HN 0.182 nan 8.270 nan 0.000 0.457 161 K N -0.478 119.925 120.400 0.004 0.000 2.379 161 K HA 0.176 4.495 4.320 -0.001 0.000 0.194 161 K C -0.144 176.436 176.600 -0.033 0.000 1.031 161 K CA -0.094 56.210 56.287 0.029 0.000 1.037 161 K CB 0.336 32.906 32.500 0.116 0.000 0.824 161 K HN 0.242 nan 8.250 nan 0.000 0.516 162 L N 2.871 124.022 121.223 -0.119 0.000 2.380 162 L HA 0.199 4.538 4.340 -0.001 0.000 0.273 162 L C -2.194 174.454 176.870 -0.370 0.000 1.138 162 L CA -2.211 52.384 54.840 -0.408 0.000 0.832 162 L CB -0.227 41.650 42.059 -0.303 0.000 1.124 162 L HN -0.226 nan 8.230 nan 0.000 0.454 163 P HA -0.118 nan 4.420 nan 0.000 0.266 163 P C 0.855 178.025 177.300 -0.217 0.000 1.186 163 P CA 0.110 63.027 63.100 -0.304 0.000 0.767 163 P CB 0.698 32.202 31.700 -0.327 0.000 0.820 164 V N 2.956 122.784 119.914 -0.143 0.000 2.380 164 V HA -0.247 3.872 4.120 -0.001 0.000 0.251 164 V C 1.930 177.957 176.094 -0.112 0.000 1.063 164 V CA 2.928 65.162 62.300 -0.111 0.000 1.055 164 V CB -1.413 30.361 31.823 -0.082 0.000 0.657 164 V HN 0.825 nan 8.190 nan 0.000 0.455 165 T N -2.985 111.500 114.554 -0.116 0.000 3.163 165 T HA 0.063 4.412 4.350 -0.001 0.000 0.260 165 T C 1.512 176.148 174.700 -0.107 0.000 1.156 165 T CA 1.434 63.476 62.100 -0.096 0.000 1.072 165 T CB -0.240 68.580 68.868 -0.080 0.000 0.937 165 T HN 0.560 nan 8.240 nan 0.000 0.528 166 I N -0.703 119.777 120.570 -0.151 0.000 3.883 166 I HA 0.244 4.413 4.170 -0.001 0.000 0.305 166 I C 1.907 177.945 176.117 -0.132 0.000 1.247 166 I CA 0.069 61.280 61.300 -0.148 0.000 1.350 166 I CB 0.218 38.088 38.000 -0.217 0.000 1.194 166 I HN 0.170 nan 8.210 nan 0.000 0.441 167 L N 0.852 121.991 121.223 -0.139 0.000 2.275 167 L HA -0.124 4.216 4.340 -0.001 0.000 0.215 167 L C 2.317 179.120 176.870 -0.111 0.000 1.119 167 L CA 1.129 55.895 54.840 -0.123 0.000 0.790 167 L CB -0.510 41.479 42.059 -0.117 0.000 0.919 167 L HN 0.245 nan 8.230 nan 0.000 0.443 168 S N -0.905 114.739 115.700 -0.093 0.000 2.561 168 S HA 0.058 4.528 4.470 -0.001 0.000 0.225 168 S C 1.484 176.056 174.600 -0.047 0.000 0.977 168 S CA 0.205 58.363 58.200 -0.070 0.000 0.926 168 S CB -0.031 63.135 63.200 -0.057 0.000 0.769 168 S HN 0.385 nan 8.310 nan 0.000 0.533 169 R N -0.017 120.449 120.500 -0.056 0.000 2.629 169 R HA 0.375 4.715 4.340 -0.001 0.000 0.386 169 R C -1.036 175.184 176.300 -0.134 0.000 1.071 169 R CA -0.072 56.020 56.100 -0.015 0.000 1.104 169 R CB 0.285 30.603 30.300 0.031 0.000 1.370 169 R HN 0.303 nan 8.270 nan 0.000 0.574 170 C N 1.242 120.438 119.300 -0.173 0.000 2.535 170 C HA 0.352 4.811 4.460 -0.001 0.000 0.319 170 C C -0.201 174.600 174.990 -0.315 0.000 1.171 170 C CA -1.090 57.778 59.018 -0.249 0.000 1.394 170 C CB 1.634 29.267 27.740 -0.179 0.000 1.990 170 C HN 0.341 nan 8.230 nan 0.000 0.466 171 L N 4.090 125.026 121.223 -0.479 0.000 2.407 171 L HA 0.279 4.618 4.340 -0.001 0.000 0.282 171 L C 0.371 176.847 176.870 -0.657 0.000 1.110 171 L CA 0.981 55.437 54.840 -0.640 0.000 0.863 171 L CB 0.125 41.572 42.059 -1.020 0.000 1.207 171 L HN 0.748 nan 8.230 nan 0.000 0.454 172 Q N 4.533 124.000 119.800 -0.555 0.000 2.314 172 Q HA 0.292 4.631 4.340 -0.001 0.000 0.259 172 Q C -1.569 174.123 176.000 -0.514 0.000 0.951 172 Q CA -0.565 54.989 55.803 -0.415 0.000 0.909 172 Q CB 0.748 29.354 28.738 -0.220 0.000 1.236 172 Q HN 0.539 nan 8.270 nan 0.000 0.444 173 F N 2.738 122.555 119.950 -0.222 0.000 2.404 173 F HA 0.216 4.742 4.527 -0.001 0.000 0.354 173 F C 0.038 175.892 175.800 0.090 0.000 1.122 173 F CA -0.651 57.309 58.000 -0.067 0.000 1.080 173 F CB 0.980 39.907 39.000 -0.121 0.000 1.131 173 F HN 0.600 nan 8.300 nan 0.000 0.471 174 H N 4.385 123.591 119.070 0.227 0.000 2.640 174 H HA 0.442 4.997 4.556 -0.001 0.000 0.297 174 H C -0.721 174.788 175.328 0.301 0.000 1.073 174 H CA -0.464 55.703 56.048 0.198 0.000 1.305 174 H CB 0.534 30.357 29.762 0.103 0.000 1.404 174 H HN 0.498 nan 8.280 nan 0.000 0.459 175 L N 4.882 126.034 121.223 -0.118 0.000 2.397 175 L HA 0.249 4.588 4.340 -0.001 0.000 0.271 175 L C 0.438 177.219 176.870 -0.149 0.000 1.148 175 L CA -0.366 54.450 54.840 -0.040 0.000 0.825 175 L CB 0.864 42.892 42.059 -0.052 0.000 1.117 175 L HN 0.628 nan 8.230 nan 0.000 0.456 176 K N 1.482 121.924 120.400 0.071 0.000 2.118 176 K HA 0.497 4.816 4.320 -0.001 0.000 0.264 176 K C -0.021 176.588 176.600 0.014 0.000 1.000 176 K CA -0.625 55.699 56.287 0.061 0.000 0.929 176 K CB 1.302 33.878 32.500 0.127 0.000 1.021 176 K HN 0.706 nan 8.250 nan 0.000 0.463 177 A N 2.895 125.726 122.820 0.017 0.000 2.498 177 A HA 0.119 4.438 4.320 -0.001 0.000 0.239 177 A C 0.099 177.690 177.584 0.012 0.000 1.068 177 A CA -0.169 51.874 52.037 0.010 0.000 0.766 177 A CB -0.152 18.859 19.000 0.018 0.000 1.003 177 A HN 0.608 nan 8.150 nan 0.000 0.497 178 L N 1.331 122.554 121.223 0.000 0.000 2.418 178 L HA 0.264 4.603 4.340 -0.001 0.000 0.265 178 L C 0.422 177.293 176.870 0.002 0.000 1.143 178 L CA -0.546 54.294 54.840 -0.001 0.000 0.809 178 L CB 0.679 42.730 42.059 -0.014 0.000 1.124 178 L HN 0.873 nan 8.230 nan 0.000 0.456 179 D N -0.089 120.313 120.400 0.003 0.000 2.253 179 D HA 0.229 4.868 4.640 -0.001 0.000 0.249 179 D C 0.935 177.237 176.300 0.003 0.000 1.049 179 D CA -0.606 53.397 54.000 0.005 0.000 0.929 179 D CB 1.708 42.513 40.800 0.008 0.000 1.176 179 D HN 0.240 nan 8.370 nan 0.000 0.437 180 V N 1.892 121.807 119.914 0.003 0.000 2.236 180 V HA -0.305 3.814 4.120 -0.001 0.000 0.255 180 V C 2.216 178.313 176.094 0.006 0.000 1.068 180 V CA 2.457 64.758 62.300 0.001 0.000 1.044 180 V CB -1.123 30.701 31.823 0.002 0.000 0.653 180 V HN 0.716 nan 8.190 nan 0.000 0.448 181 E N 0.277 120.486 120.200 0.015 0.000 2.031 181 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 181 E C 2.284 178.913 176.600 0.047 0.000 0.994 181 E CA 1.857 58.276 56.400 0.032 0.000 0.800 181 E CB -0.515 29.207 29.700 0.036 0.000 0.752 181 E HN 0.701 nan 8.360 nan 0.000 0.447 182 Q N -0.111 119.704 119.800 0.025 0.000 2.118 182 Q HA -0.220 4.119 4.340 -0.001 0.000 0.211 182 Q C 2.457 178.469 176.000 0.021 0.000 0.998 182 Q CA 1.935 57.745 55.803 0.011 0.000 0.872 182 Q CB -0.373 28.358 28.738 -0.011 0.000 0.925 182 Q HN 0.416 nan 8.270 nan 0.000 0.414 183 I N 0.074 120.647 120.570 0.004 0.000 2.252 183 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 183 I C 2.722 178.828 176.117 -0.018 0.000 1.102 183 I CA 0.882 62.174 61.300 -0.014 0.000 1.385 183 I CB -0.306 37.680 38.000 -0.023 0.000 1.064 183 I HN 0.197 nan 8.210 nan 0.000 0.414 184 R N 0.020 120.515 120.500 -0.008 0.000 2.105 184 R HA -0.238 4.102 4.340 -0.001 0.000 0.239 184 R C 2.533 178.810 176.300 -0.040 0.000 1.135 184 R CA 1.527 57.606 56.100 -0.035 0.000 0.967 184 R CB -0.423 29.863 30.300 -0.025 0.000 0.861 184 R HN 0.430 nan 8.270 nan 0.000 0.442 185 H N 0.385 119.418 119.070 -0.061 0.000 2.293 185 H HA -0.163 4.392 4.556 -0.001 0.000 0.300 185 H C 1.915 177.207 175.328 -0.060 0.000 1.082 185 H CA 2.240 58.258 56.048 -0.050 0.000 1.308 185 H CB 0.071 29.818 29.762 -0.026 0.000 1.375 185 H HN 0.228 nan 8.280 nan 0.000 0.495 186 Q N 0.514 120.390 119.800 0.127 0.000 2.167 186 Q HA -0.049 4.290 4.340 -0.001 0.000 0.202 186 Q C 2.673 178.595 176.000 -0.130 0.000 0.970 186 Q CA 0.948 56.755 55.803 0.005 0.000 0.855 186 Q CB -0.272 28.429 28.738 -0.061 0.000 0.911 186 Q HN 0.457 nan 8.270 nan 0.000 0.438 187 L N 0.139 121.278 121.223 -0.140 0.000 1.989 187 L HA -0.221 4.118 4.340 -0.001 0.000 0.211 187 L C 2.474 179.173 176.870 -0.286 0.000 1.071 187 L CA 2.118 56.831 54.840 -0.212 0.000 0.749 187 L CB -0.637 41.315 42.059 -0.179 0.000 0.890 187 L HN 0.453 nan 8.230 nan 0.000 0.431 188 E N -0.751 119.276 120.200 -0.288 0.000 2.058 188 E HA -0.305 4.044 4.350 -0.001 0.000 0.194 188 E C 2.265 178.715 176.600 -0.250 0.000 0.997 188 E CA 1.370 57.543 56.400 -0.378 0.000 0.801 188 E CB -0.085 29.415 29.700 -0.334 0.000 0.746 188 E HN 0.380 nan 8.360 nan 0.000 0.450 189 H N 1.028 119.932 119.070 -0.278 0.000 2.257 189 H HA -0.192 4.363 4.556 -0.001 0.000 0.292 189 H C 2.194 177.300 175.328 -0.370 0.000 1.075 189 H CA 2.314 58.220 56.048 -0.236 0.000 1.212 189 H CB -0.643 29.027 29.762 -0.154 0.000 1.354 189 H HN 0.252 nan 8.280 nan 0.000 0.497 190 I N 0.514 120.879 120.570 -0.342 0.000 2.069 190 I HA -0.348 3.822 4.170 -0.001 0.000 0.237 190 I C 3.025 178.888 176.117 -0.424 0.000 1.053 190 I CA 1.324 62.114 61.300 -0.850 0.000 1.311 190 I CB -0.534 36.769 38.000 -1.162 0.000 1.030 190 I HN 0.223 nan 8.210 nan 0.000 0.398 191 L N 0.446 121.482 121.223 -0.313 0.000 2.051 191 L HA -0.308 4.031 4.340 -0.001 0.000 0.214 191 L C 2.431 179.265 176.870 -0.060 0.000 1.076 191 L CA 1.559 56.301 54.840 -0.163 0.000 0.758 191 L CB -0.858 41.078 42.059 -0.205 0.000 0.890 191 L HN 0.423 nan 8.230 nan 0.000 0.433 192 N N -0.121 118.532 118.700 -0.079 0.000 2.058 192 N HA -0.219 4.520 4.740 -0.001 0.000 0.191 192 N C 1.813 177.205 175.510 -0.195 0.000 1.037 192 N CA 1.338 54.340 53.050 -0.081 0.000 0.848 192 N CB -0.197 38.236 38.487 -0.089 0.000 1.021 192 N HN 0.262 nan 8.380 nan 0.000 0.422 193 E N 1.253 121.404 120.200 -0.081 0.000 2.085 193 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 193 E C 1.330 177.978 176.600 0.080 0.000 0.994 193 E CA 1.075 57.496 56.400 0.035 0.000 0.801 193 E CB -0.021 29.932 29.700 0.422 0.000 0.743 193 E HN 0.312 nan 8.360 nan 0.000 0.453 194 E N -0.153 120.148 120.200 0.169 0.000 2.472 194 E HA -0.123 4.226 4.350 -0.001 0.000 0.200 194 E C -0.367 176.381 176.600 0.246 0.000 1.046 194 E CA 0.541 57.090 56.400 0.250 0.000 0.871 194 E CB -0.164 29.659 29.700 0.206 0.000 0.806 194 E HN 0.416 nan 8.360 nan 0.000 0.533 195 H N -0.803 118.331 119.070 0.107 0.000 2.935 195 H HA -0.143 4.413 4.556 -0.001 0.000 0.341 195 H C -0.410 174.944 175.328 0.044 0.000 1.161 195 H CA 0.633 56.724 56.048 0.071 0.000 1.135 195 H CB -1.890 27.915 29.762 0.072 0.000 1.605 195 H HN 0.155 nan 8.280 nan 0.000 0.409 196 I N 0.593 121.225 120.570 0.103 0.000 2.571 196 I HA 0.438 4.608 4.170 -0.001 0.000 0.289 196 I C 0.500 176.667 176.117 0.082 0.000 1.115 196 I CA -0.667 60.676 61.300 0.071 0.000 1.045 196 I CB 1.999 40.022 38.000 0.038 0.000 1.238 196 I HN 0.476 nan 8.210 nan 0.000 0.424 197 A N 5.019 127.854 122.820 0.025 0.000 2.488 197 A HA 0.507 4.826 4.320 -0.001 0.000 0.249 197 A C -0.608 176.978 177.584 0.003 0.000 1.083 197 A CA 0.445 52.454 52.037 -0.046 0.000 0.768 197 A CB -0.372 18.601 19.000 -0.045 0.000 1.017 197 A HN 0.888 nan 8.150 nan 0.000 0.496 198 H N -0.460 118.588 119.070 -0.037 0.000 3.038 198 H HA 0.632 5.188 4.556 -0.001 0.000 0.362 198 H C -1.043 174.260 175.328 -0.041 0.000 1.167 198 H CA -0.856 55.166 56.048 -0.043 0.000 1.197 198 H CB 0.625 30.353 29.762 -0.057 0.000 1.840 198 H HN 0.576 nan 8.280 nan 0.000 0.540 199 E N 3.403 123.652 120.200 0.082 0.000 2.318 199 E HA 0.140 4.489 4.350 -0.001 0.000 0.265 199 E C -1.654 175.017 176.600 0.119 0.000 1.069 199 E CA -2.104 54.323 56.400 0.045 0.000 0.893 199 E CB 1.137 30.846 29.700 0.015 0.000 1.076 199 E HN 0.524 nan 8.360 nan 0.000 0.414 200 P HA -0.232 nan 4.420 nan 0.000 0.213 200 P C 1.262 178.577 177.300 0.025 0.000 1.170 200 P CA 1.404 64.539 63.100 0.058 0.000 0.898 200 P CB 0.176 31.890 31.700 0.023 0.000 0.787 201 R N -0.111 120.397 120.500 0.014 0.000 2.148 201 R HA -0.011 4.329 4.340 -0.001 0.000 0.227 201 R C 2.306 178.606 176.300 -0.001 0.000 1.103 201 R CA 1.098 57.199 56.100 0.002 0.000 0.983 201 R CB -0.637 29.663 30.300 0.000 0.000 0.874 201 R HN 0.056 nan 8.270 nan 0.000 0.451 202 A N 1.142 123.967 122.820 0.007 0.000 1.908 202 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 202 A C 2.102 179.675 177.584 -0.017 0.000 1.181 202 A CA 1.266 53.304 52.037 0.001 0.000 0.627 202 A CB -0.465 18.544 19.000 0.014 0.000 0.818 202 A HN 0.321 nan 8.150 nan 0.000 0.445 203 L N -1.310 119.897 121.223 -0.027 0.000 2.072 203 L HA -0.176 4.163 4.340 -0.001 0.000 0.205 203 L C 2.840 179.680 176.870 -0.049 0.000 1.079 203 L CA 1.543 56.344 54.840 -0.065 0.000 0.752 203 L CB -0.628 41.361 42.059 -0.117 0.000 0.906 203 L HN 0.520 nan 8.230 nan 0.000 0.436 204 Q N 0.437 120.218 119.800 -0.033 0.000 2.226 204 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 204 Q C 2.319 178.307 176.000 -0.020 0.000 0.975 204 Q CA 1.214 57.002 55.803 -0.024 0.000 0.866 204 Q CB 0.065 28.794 28.738 -0.015 0.000 0.915 204 Q HN 0.542 nan 8.270 nan 0.000 0.440 205 L N -0.041 121.170 121.223 -0.019 0.000 2.156 205 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 205 L C 2.173 179.030 176.870 -0.021 0.000 1.095 205 L CA 0.440 55.270 54.840 -0.017 0.000 0.770 205 L CB -0.074 41.977 42.059 -0.013 0.000 0.914 205 L HN 0.304 nan 8.230 nan 0.000 0.439 206 L N -0.870 120.336 121.223 -0.029 0.000 2.007 206 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 206 L C 2.854 179.705 176.870 -0.032 0.000 1.073 206 L CA 1.216 56.035 54.840 -0.034 0.000 0.744 206 L CB -0.690 41.340 42.059 -0.048 0.000 0.898 206 L HN 0.214 nan 8.230 nan 0.000 0.435 207 A N 0.143 122.942 122.820 -0.036 0.000 1.903 207 A HA -0.334 3.986 4.320 -0.001 0.000 0.219 207 A C 2.292 179.865 177.584 -0.019 0.000 1.191 207 A CA 2.379 54.399 52.037 -0.029 0.000 0.638 207 A CB -0.655 18.328 19.000 -0.028 0.000 0.823 207 A HN 0.319 nan 8.150 nan 0.000 0.451 208 R N -0.081 120.410 120.500 -0.016 0.000 2.083 208 R HA -0.086 4.253 4.340 -0.001 0.000 0.237 208 R C 2.109 178.402 176.300 -0.011 0.000 1.137 208 R CA 2.030 58.123 56.100 -0.011 0.000 0.951 208 R CB -0.830 29.465 30.300 -0.009 0.000 0.851 208 R HN 0.446 nan 8.270 nan 0.000 0.434 209 A N -0.374 122.438 122.820 -0.014 0.000 2.119 209 A HA 0.133 4.453 4.320 -0.001 0.000 0.217 209 A C 2.148 179.724 177.584 -0.014 0.000 1.153 209 A CA 1.189 53.218 52.037 -0.013 0.000 0.692 209 A CB -0.603 18.388 19.000 -0.015 0.000 0.799 209 A HN 0.446 nan 8.150 nan 0.000 0.458 210 A N -0.692 122.118 122.820 -0.016 0.000 2.067 210 A HA 0.058 4.378 4.320 -0.001 0.000 0.219 210 A C 0.866 178.443 177.584 -0.012 0.000 1.158 210 A CA 1.013 53.040 52.037 -0.016 0.000 0.661 210 A CB -0.438 18.550 19.000 -0.021 0.000 0.801 210 A HN 0.591 nan 8.150 nan 0.000 0.452 211 E N -2.615 117.580 120.200 -0.009 0.000 2.252 211 E HA -0.232 4.118 4.350 -0.001 0.000 0.218 211 E C 0.852 177.450 176.600 -0.003 0.000 1.253 211 E CA 0.400 56.797 56.400 -0.005 0.000 0.705 211 E CB -1.794 27.903 29.700 -0.004 0.000 1.172 211 E HN 1.454 nan 8.360 nan 0.000 0.369 212 G N -0.468 108.329 108.800 -0.005 0.000 2.199 212 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.254 212 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.254 212 G C 0.162 175.057 174.900 -0.008 0.000 0.982 212 G CA 0.345 45.443 45.100 -0.003 0.000 0.632 212 G HN 0.695 nan 8.290 nan 0.000 0.529 213 S N -0.099 115.594 115.700 -0.011 0.000 2.456 213 S HA 0.597 5.066 4.470 -0.001 0.000 0.316 213 S C 1.088 175.676 174.600 -0.020 0.000 1.089 213 S CA -0.395 57.796 58.200 -0.014 0.000 1.101 213 S CB 1.155 64.349 63.200 -0.010 0.000 0.995 213 S HN 0.656 nan 8.310 nan 0.000 0.468 214 L N 5.498 126.706 121.223 -0.025 0.000 2.465 214 L HA 0.250 4.590 4.340 -0.001 0.000 0.224 214 L C 2.149 179.003 176.870 -0.026 0.000 1.145 214 L CA 1.428 56.249 54.840 -0.032 0.000 0.834 214 L CB -0.732 41.304 42.059 -0.038 0.000 0.944 214 L HN 0.783 nan 8.230 nan 0.000 0.451 215 R N -0.673 119.816 120.500 -0.018 0.000 2.057 215 R HA -0.085 4.255 4.340 -0.001 0.000 0.224 215 R C 1.718 178.011 176.300 -0.011 0.000 1.136 215 R CA 1.373 57.467 56.100 -0.010 0.000 0.968 215 R CB -0.100 30.198 30.300 -0.004 0.000 0.863 215 R HN 0.243 nan 8.270 nan 0.000 0.433 216 D N 0.481 120.875 120.400 -0.011 0.000 2.239 216 D HA -0.205 4.434 4.640 -0.001 0.000 0.202 216 D C 1.495 177.784 176.300 -0.017 0.000 0.993 216 D CA 1.507 55.501 54.000 -0.011 0.000 0.874 216 D CB -0.023 40.772 40.800 -0.010 0.000 0.922 216 D HN 0.425 nan 8.370 nan 0.000 0.464 217 A N 0.150 122.956 122.820 -0.024 0.000 1.832 217 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 217 A C 2.150 179.710 177.584 -0.041 0.000 1.204 217 A CA 0.689 52.705 52.037 -0.035 0.000 0.606 217 A CB -0.780 18.193 19.000 -0.044 0.000 0.849 217 A HN 0.183 nan 8.150 nan 0.000 0.445 218 L N -0.105 121.094 121.223 -0.039 0.000 2.127 218 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 218 L C 2.778 179.637 176.870 -0.018 0.000 1.089 218 L CA 1.344 56.162 54.840 -0.037 0.000 0.757 218 L CB -0.441 41.605 42.059 -0.021 0.000 0.899 218 L HN 0.326 nan 8.230 nan 0.000 0.434 219 S N -0.052 115.642 115.700 -0.011 0.000 2.368 219 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 219 S C 1.949 176.542 174.600 -0.011 0.000 1.029 219 S CA 0.995 59.192 58.200 -0.004 0.000 0.988 219 S CB -0.172 63.028 63.200 -0.001 0.000 0.838 219 S HN 0.307 nan 8.310 nan 0.000 0.462 220 L N 0.961 122.174 121.223 -0.018 0.000 2.201 220 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 220 L C 2.425 179.279 176.870 -0.026 0.000 1.105 220 L CA 0.970 55.798 54.840 -0.020 0.000 0.775 220 L CB -0.669 41.376 42.059 -0.023 0.000 0.913 220 L HN 0.337 nan 8.230 nan 0.000 0.440 221 T N -1.447 113.087 114.554 -0.034 0.000 2.809 221 T HA -0.134 4.216 4.350 -0.001 0.000 0.260 221 T C 1.418 176.097 174.700 -0.034 0.000 1.039 221 T CA 0.993 63.067 62.100 -0.044 0.000 1.141 221 T CB -0.123 68.705 68.868 -0.067 0.000 0.869 221 T HN 0.251 nan 8.240 nan 0.000 0.437 222 D N 1.142 121.528 120.400 -0.024 0.000 2.116 222 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 222 D C 2.171 178.461 176.300 -0.015 0.000 0.998 222 D CA 1.307 55.298 54.000 -0.015 0.000 0.836 222 D CB -0.351 40.450 40.800 0.003 0.000 0.951 222 D HN 0.481 nan 8.370 nan 0.000 0.449 223 Q N 0.320 120.113 119.800 -0.011 0.000 2.050 223 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 223 Q C 2.030 178.022 176.000 -0.013 0.000 0.980 223 Q CA 1.792 57.589 55.803 -0.009 0.000 0.840 223 Q CB -0.109 28.625 28.738 -0.007 0.000 0.898 223 Q HN 0.199 nan 8.270 nan 0.000 0.424 224 A N 1.304 124.113 122.820 -0.018 0.000 1.852 224 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 224 A C 2.042 179.614 177.584 -0.019 0.000 1.215 224 A CA 1.973 53.998 52.037 -0.019 0.000 0.641 224 A CB -1.220 17.766 19.000 -0.024 0.000 0.838 224 A HN 0.551 nan 8.150 nan 0.000 0.450 225 I N -0.232 120.322 120.570 -0.027 0.000 2.231 225 I HA -0.433 3.736 4.170 -0.001 0.000 0.251 225 I C 2.868 178.968 176.117 -0.028 0.000 1.076 225 I CA 1.513 62.793 61.300 -0.033 0.000 1.347 225 I CB -0.446 37.523 38.000 -0.052 0.000 1.038 225 I HN 0.452 nan 8.210 nan 0.000 0.429 226 A N 0.061 122.869 122.820 -0.021 0.000 1.855 226 A HA -0.191 4.128 4.320 -0.001 0.000 0.215 226 A C 2.466 180.046 177.584 -0.007 0.000 1.191 226 A CA 2.156 54.186 52.037 -0.011 0.000 0.613 226 A CB -0.855 18.143 19.000 -0.003 0.000 0.829 226 A HN 0.417 nan 8.150 nan 0.000 0.442 227 S N -0.280 115.416 115.700 -0.007 0.000 2.400 227 S HA -0.064 4.405 4.470 -0.001 0.000 0.232 227 S C 1.723 176.320 174.600 -0.005 0.000 1.025 227 S CA 1.100 59.297 58.200 -0.005 0.000 0.993 227 S CB -0.454 62.743 63.200 -0.005 0.000 0.808 227 S HN 0.774 nan 8.310 nan 0.000 0.478 228 G N 0.357 109.153 108.800 -0.008 0.000 3.314 228 G HA2 0.163 4.123 3.960 -0.001 0.000 0.238 228 G HA3 0.163 4.123 3.960 -0.001 0.000 0.238 228 G C -0.128 174.767 174.900 -0.008 0.000 1.184 228 G CA -0.175 44.920 45.100 -0.007 0.000 0.806 228 G HN 0.311 nan 8.290 nan 0.000 0.536 229 D N -0.387 120.009 120.400 -0.008 0.000 2.686 229 D HA -0.160 4.479 4.640 -0.001 0.000 0.235 229 D C 1.561 177.853 176.300 -0.013 0.000 1.160 229 D CA 1.738 55.733 54.000 -0.007 0.000 0.645 229 D CB -1.298 39.501 40.800 -0.002 0.000 1.039 229 D HN 0.966 nan 8.370 nan 0.000 0.423 230 G N -0.530 108.256 108.800 -0.024 0.000 2.176 230 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.232 230 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.232 230 G C 0.177 175.064 174.900 -0.022 0.000 0.986 230 G CA 0.382 45.461 45.100 -0.034 0.000 0.643 230 G HN 0.525 nan 8.290 nan 0.000 0.522 231 Q N -0.231 119.561 119.800 -0.014 0.000 2.337 231 Q HA 0.577 4.917 4.340 -0.001 0.000 0.266 231 Q C -0.497 175.504 176.000 0.000 0.000 1.023 231 Q CA -0.724 55.076 55.803 -0.005 0.000 0.829 231 Q CB 2.680 31.414 28.738 -0.007 0.000 1.306 231 Q HN 0.136 nan 8.270 nan 0.000 0.449 232 V N 3.113 123.037 119.914 0.018 0.000 2.258 232 V HA 0.135 4.254 4.120 -0.001 0.000 0.258 232 V C -0.020 176.090 176.094 0.027 0.000 1.121 232 V CA -0.250 62.062 62.300 0.021 0.000 0.942 232 V CB 0.106 31.948 31.823 0.031 0.000 1.170 232 V HN 0.733 nan 8.190 nan 0.000 0.487 233 S N 2.084 117.789 115.700 0.009 0.000 2.654 233 S HA 0.334 4.803 4.470 -0.001 0.000 0.283 233 S C 1.176 175.777 174.600 0.003 0.000 1.180 233 S CA -0.407 57.796 58.200 0.005 0.000 1.021 233 S CB 1.617 64.816 63.200 -0.002 0.000 1.018 233 S HN 0.486 nan 8.310 nan 0.000 0.532 234 T N 1.805 116.361 114.554 0.002 0.000 2.821 234 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 234 T C 1.766 176.464 174.700 -0.003 0.000 1.046 234 T CA 1.735 63.834 62.100 -0.000 0.000 1.139 234 T CB -0.475 68.393 68.868 -0.000 0.000 0.871 234 T HN 0.771 nan 8.240 nan 0.000 0.454 235 Q N 0.837 120.635 119.800 -0.003 0.000 2.297 235 Q HA 0.010 4.349 4.340 -0.001 0.000 0.208 235 Q C 2.253 178.250 176.000 -0.004 0.000 0.981 235 Q CA 1.332 57.133 55.803 -0.004 0.000 0.876 235 Q CB -0.251 28.484 28.738 -0.005 0.000 0.921 235 Q HN 0.571 nan 8.270 nan 0.000 0.446 236 A N -0.077 122.740 122.820 -0.004 0.000 1.988 236 A HA 0.101 4.420 4.320 -0.001 0.000 0.201 236 A C 2.177 179.757 177.584 -0.006 0.000 1.410 236 A CA 0.080 52.115 52.037 -0.005 0.000 0.832 236 A CB -0.173 18.824 19.000 -0.005 0.000 0.981 236 A HN 0.132 nan 8.150 nan 0.000 0.492 237 V N 1.300 121.210 119.914 -0.006 0.000 2.358 237 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 237 V C 3.019 179.108 176.094 -0.008 0.000 1.047 237 V CA 2.413 64.708 62.300 -0.009 0.000 1.035 237 V CB -0.768 31.049 31.823 -0.011 0.000 0.658 237 V HN 0.790 nan 8.190 nan 0.000 0.452 238 S N 1.414 117.110 115.700 -0.007 0.000 2.368 238 S HA -0.320 4.149 4.470 -0.001 0.000 0.226 238 S C 2.132 176.728 174.600 -0.006 0.000 1.044 238 S CA 2.193 60.389 58.200 -0.006 0.000 1.062 238 S CB -0.742 62.455 63.200 -0.005 0.000 0.931 238 S HN 0.637 nan 8.310 nan 0.000 0.440 239 A N 2.360 125.177 122.820 -0.005 0.000 1.859 239 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 239 A C 2.490 180.070 177.584 -0.006 0.000 1.198 239 A CA 2.187 54.221 52.037 -0.005 0.000 0.629 239 A CB -1.075 17.922 19.000 -0.004 0.000 0.830 239 A HN 0.718 nan 8.150 nan 0.000 0.446 240 M N -0.656 118.939 119.600 -0.007 0.000 2.279 240 M HA -0.072 4.408 4.480 -0.001 0.000 0.264 240 M C 1.640 177.935 176.300 -0.009 0.000 1.062 240 M CA 1.491 56.786 55.300 -0.008 0.000 1.099 240 M CB -0.281 32.314 32.600 -0.009 0.000 1.394 240 M HN 0.444 nan 8.290 nan 0.000 0.426 241 L N -0.939 120.278 121.223 -0.010 0.000 2.313 241 L HA 0.016 4.355 4.340 -0.001 0.000 0.214 241 L C 2.505 179.369 176.870 -0.010 0.000 1.119 241 L CA 0.755 55.588 54.840 -0.011 0.000 0.809 241 L CB -0.873 41.179 42.059 -0.011 0.000 0.933 241 L HN 0.414 nan 8.230 nan 0.000 0.449 242 G N -0.606 108.189 108.800 -0.009 0.000 2.403 242 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.216 242 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.216 242 G C 1.540 176.434 174.900 -0.009 0.000 1.154 242 G CA 1.008 46.103 45.100 -0.008 0.000 0.784 242 G HN 0.211 nan 8.290 nan 0.000 0.538 243 T N 1.171 115.720 114.554 -0.009 0.000 2.685 243 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 243 T C 1.790 176.481 174.700 -0.015 0.000 1.034 243 T CA 0.892 62.986 62.100 -0.011 0.000 1.149 243 T CB -0.166 68.696 68.868 -0.009 0.000 0.860 243 T HN 0.152 nan 8.240 nan 0.000 0.449 244 L N 0.907 122.122 121.223 -0.015 0.000 2.848 244 L HA 0.263 4.602 4.340 -0.001 0.000 0.240 244 L C -0.257 176.602 176.870 -0.019 0.000 1.232 244 L CA -0.350 54.480 54.840 -0.017 0.000 1.031 244 L CB 0.222 42.273 42.059 -0.015 0.000 1.338 244 L HN -0.034 nan 8.230 nan 0.000 0.509 245 D N 0.746 121.134 120.400 -0.019 0.000 2.336 245 D HA 0.003 4.642 4.640 -0.001 0.000 0.249 245 D C 0.900 177.184 176.300 -0.026 0.000 1.213 245 D CA 0.116 54.104 54.000 -0.020 0.000 0.870 245 D CB 1.305 42.096 40.800 -0.016 0.000 1.076 245 D HN 0.023 nan 8.370 nan 0.000 0.483 246 D N 1.425 121.810 120.400 -0.024 0.000 2.265 246 D HA -0.178 4.462 4.640 -0.001 0.000 0.208 246 D C 1.362 177.646 176.300 -0.026 0.000 0.977 246 D CA 0.803 54.787 54.000 -0.027 0.000 0.871 246 D CB 0.340 41.128 40.800 -0.020 0.000 0.925 246 D HN 0.423 nan 8.370 nan 0.000 0.485 247 D N 0.259 120.647 120.400 -0.020 0.000 2.183 247 D HA -0.118 4.521 4.640 -0.001 0.000 0.203 247 D C 1.713 178.006 176.300 -0.012 0.000 0.969 247 D CA 0.683 54.674 54.000 -0.014 0.000 0.842 247 D CB 0.075 40.868 40.800 -0.011 0.000 0.957 247 D HN 0.024 nan 8.370 nan 0.000 0.484 248 Q N -0.016 119.776 119.800 -0.013 0.000 2.268 248 Q HA -0.116 4.224 4.340 -0.001 0.000 0.210 248 Q C 1.941 177.943 176.000 0.004 0.000 0.988 248 Q CA 1.742 57.543 55.803 -0.003 0.000 0.883 248 Q CB -0.368 28.370 28.738 0.000 0.000 0.911 248 Q HN 0.362 nan 8.270 nan 0.000 0.430 249 A N -0.255 122.564 122.820 -0.003 0.000 1.903 249 A HA -0.031 4.289 4.320 -0.001 0.000 0.213 249 A C 1.908 179.488 177.584 -0.006 0.000 1.185 249 A CA 0.779 52.817 52.037 0.000 0.000 0.628 249 A CB -0.494 18.504 19.000 -0.003 0.000 0.830 249 A HN 0.363 nan 8.150 nan 0.000 0.446 250 L N -0.271 120.948 121.223 -0.006 0.000 2.046 250 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 250 L C 2.400 179.264 176.870 -0.011 0.000 1.077 250 L CA 2.563 57.400 54.840 -0.006 0.000 0.747 250 L CB -0.728 41.330 42.059 -0.002 0.000 0.896 250 L HN 0.257 nan 8.230 nan 0.000 0.432 251 S N -1.041 114.654 115.700 -0.009 0.000 2.402 251 S HA -0.049 4.420 4.470 -0.001 0.000 0.229 251 S C 1.928 176.518 174.600 -0.016 0.000 1.021 251 S CA 1.073 59.267 58.200 -0.010 0.000 0.974 251 S CB -0.298 62.899 63.200 -0.005 0.000 0.800 251 S HN 0.478 nan 8.310 nan 0.000 0.484 252 L N 0.359 121.573 121.223 -0.015 0.000 2.109 252 L HA -0.040 4.299 4.340 -0.001 0.000 0.207 252 L C 2.289 179.125 176.870 -0.056 0.000 1.086 252 L CA 0.762 55.588 54.840 -0.024 0.000 0.760 252 L CB -0.428 41.629 42.059 -0.005 0.000 0.910 252 L HN 0.214 nan 8.230 nan 0.000 0.437 253 V N 0.117 119.996 119.914 -0.058 0.000 2.237 253 V HA -0.310 3.810 4.120 -0.001 0.000 0.245 253 V C 2.337 178.375 176.094 -0.094 0.000 1.046 253 V CA 1.889 64.132 62.300 -0.096 0.000 1.007 253 V CB -0.322 31.462 31.823 -0.066 0.000 0.638 253 V HN 0.459 nan 8.190 nan 0.000 0.445 254 E N 0.041 120.211 120.200 -0.050 0.000 2.068 254 E HA -0.325 4.025 4.350 -0.001 0.000 0.207 254 E C 2.238 178.810 176.600 -0.046 0.000 1.032 254 E CA 1.722 58.101 56.400 -0.035 0.000 0.839 254 E CB -0.435 29.255 29.700 -0.017 0.000 0.758 254 E HN 0.613 nan 8.360 nan 0.000 0.457 255 A N 0.945 123.736 122.820 -0.049 0.000 1.972 255 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 255 A C 2.087 179.618 177.584 -0.089 0.000 1.169 255 A CA 1.667 53.671 52.037 -0.054 0.000 0.635 255 A CB -0.478 18.498 19.000 -0.040 0.000 0.810 255 A HN 0.330 nan 8.150 nan 0.000 0.446 256 M N -0.778 118.748 119.600 -0.124 0.000 2.160 256 M HA -0.053 4.426 4.480 -0.001 0.000 0.264 256 M C 1.903 178.074 176.300 -0.215 0.000 1.073 256 M CA 1.649 56.840 55.300 -0.182 0.000 1.142 256 M CB -0.171 32.294 32.600 -0.225 0.000 1.358 256 M HN 0.151 nan 8.290 nan 0.000 0.422 257 V N 1.510 121.313 119.914 -0.185 0.000 2.287 257 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 257 V C 1.746 177.908 176.094 0.113 0.000 1.053 257 V CA 2.232 64.547 62.300 0.025 0.000 1.027 257 V CB -0.834 30.995 31.823 0.011 0.000 0.646 257 V HN 0.558 nan 8.190 nan 0.000 0.447 258 E N -0.447 119.759 120.200 0.010 0.000 2.515 258 E HA 0.152 4.501 4.350 -0.001 0.000 0.201 258 E C 1.430 178.002 176.600 -0.047 0.000 1.071 258 E CA 0.588 56.996 56.400 0.015 0.000 0.880 258 E CB -0.191 29.510 29.700 0.002 0.000 0.828 258 E HN 0.600 nan 8.360 nan 0.000 0.540 259 A N 0.865 123.568 122.820 -0.196 0.000 3.396 259 A HA -0.279 4.040 4.320 -0.001 0.000 0.267 259 A C 0.605 178.100 177.584 -0.148 0.000 1.139 259 A CA 0.995 52.852 52.037 -0.299 0.000 1.115 259 A CB -2.203 16.674 19.000 -0.206 0.000 1.133 259 A HN 0.372 nan 8.150 nan 0.000 0.920 260 N N 0.744 119.387 118.700 -0.094 0.000 2.543 260 N HA 0.381 5.120 4.740 -0.001 0.000 0.289 260 N C 1.402 176.881 175.510 -0.052 0.000 1.223 260 N CA 1.150 54.167 53.050 -0.056 0.000 1.080 260 N CB -0.023 38.441 38.487 -0.038 0.000 1.450 260 N HN 0.526 nan 8.380 nan 0.000 0.501 261 G N 1.326 110.097 108.800 -0.048 0.000 2.448 261 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.219 261 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.219 261 G C 1.351 176.237 174.900 -0.023 0.000 1.127 261 G CA 0.756 45.835 45.100 -0.036 0.000 0.766 261 G HN 0.604 nan 8.290 nan 0.000 0.552 262 E N 0.511 120.700 120.200 -0.018 0.000 2.046 262 E HA -0.051 4.298 4.350 -0.001 0.000 0.190 262 E C 2.390 178.984 176.600 -0.010 0.000 0.982 262 E CA 0.899 57.292 56.400 -0.012 0.000 0.800 262 E CB -0.354 29.341 29.700 -0.009 0.000 0.756 262 E HN 0.361 nan 8.360 nan 0.000 0.449 263 R N -0.081 120.410 120.500 -0.014 0.000 2.120 263 R HA -0.075 4.265 4.340 -0.001 0.000 0.234 263 R C 2.114 178.407 176.300 -0.011 0.000 1.123 263 R CA 1.268 57.361 56.100 -0.011 0.000 0.975 263 R CB -0.116 30.176 30.300 -0.015 0.000 0.866 263 R HN 0.188 nan 8.270 nan 0.000 0.446 264 V N 0.643 120.545 119.914 -0.020 0.000 2.358 264 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 264 V C 2.262 178.352 176.094 -0.006 0.000 1.047 264 V CA 1.470 63.759 62.300 -0.019 0.000 1.035 264 V CB -0.217 31.584 31.823 -0.035 0.000 0.658 264 V HN 0.363 nan 8.190 nan 0.000 0.452 265 M N -0.709 118.887 119.600 -0.008 0.000 2.506 265 M HA 0.111 4.590 4.480 -0.001 0.000 0.260 265 M C 2.184 178.491 176.300 0.011 0.000 1.104 265 M CA 1.279 56.578 55.300 -0.003 0.000 1.112 265 M CB -0.894 31.699 32.600 -0.011 0.000 1.401 265 M HN 0.406 nan 8.290 nan 0.000 0.473 266 A N 0.484 123.310 122.820 0.011 0.000 1.898 266 A HA -0.007 4.312 4.320 -0.001 0.000 0.214 266 A C 2.183 179.784 177.584 0.029 0.000 1.183 266 A CA 0.796 52.843 52.037 0.017 0.000 0.622 266 A CB -0.574 18.432 19.000 0.009 0.000 0.824 266 A HN 0.403 nan 8.150 nan 0.000 0.444 267 L N -0.523 120.716 121.223 0.027 0.000 2.093 267 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 267 L C 2.399 179.315 176.870 0.076 0.000 1.085 267 L CA 1.127 55.990 54.840 0.038 0.000 0.755 267 L CB -0.459 41.615 42.059 0.025 0.000 0.904 267 L HN 0.376 nan 8.230 nan 0.000 0.435 268 I N -0.088 120.536 120.570 0.089 0.000 2.454 268 I HA -0.295 3.874 4.170 -0.001 0.000 0.254 268 I C 2.318 178.564 176.117 0.215 0.000 1.156 268 I CA 0.917 62.318 61.300 0.169 0.000 1.433 268 I CB -0.240 37.806 38.000 0.077 0.000 1.082 268 I HN 0.363 nan 8.210 nan 0.000 0.432 269 N N 0.705 119.477 118.700 0.120 0.000 2.250 269 N HA -0.200 4.540 4.740 -0.001 0.000 0.181 269 N C 1.763 177.328 175.510 0.092 0.000 1.017 269 N CA 1.054 54.170 53.050 0.110 0.000 0.866 269 N CB 0.058 38.582 38.487 0.062 0.000 0.985 269 N HN 0.398 nan 8.380 nan 0.000 0.429 270 E N 0.303 120.541 120.200 0.065 0.000 2.209 270 E HA -0.110 4.240 4.350 -0.001 0.000 0.196 270 E C 1.589 178.204 176.600 0.025 0.000 0.993 270 E CA 1.128 57.549 56.400 0.036 0.000 0.819 270 E CB -0.005 29.709 29.700 0.023 0.000 0.745 270 E HN 0.333 nan 8.360 nan 0.000 0.477 271 A N 0.657 123.510 122.820 0.055 0.000 2.016 271 A HA 0.136 4.455 4.320 -0.001 0.000 0.217 271 A C 2.313 179.834 177.584 -0.106 0.000 1.162 271 A CA 1.148 53.171 52.037 -0.023 0.000 0.662 271 A CB -0.433 18.586 19.000 0.032 0.000 0.812 271 A HN 0.399 nan 8.150 nan 0.000 0.450 272 A N 0.104 122.966 122.820 0.070 0.000 1.930 272 A HA 0.239 4.558 4.320 -0.001 0.000 0.217 272 A C 2.466 180.050 177.584 -0.000 0.000 1.175 272 A CA 1.755 53.838 52.037 0.077 0.000 0.627 272 A CB -0.958 18.189 19.000 0.245 0.000 0.815 272 A HN 0.929 nan 8.150 nan 0.000 0.443 273 A N 0.049 122.875 122.820 0.009 0.000 1.859 273 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 273 A C 2.222 179.781 177.584 -0.042 0.000 1.198 273 A CA 1.975 54.007 52.037 -0.008 0.000 0.629 273 A CB -0.631 18.369 19.000 -0.001 0.000 0.830 273 A HN 0.516 nan 8.150 nan 0.000 0.446 274 R N -0.810 119.652 120.500 -0.062 0.000 2.261 274 R HA -0.064 4.276 4.340 -0.001 0.000 0.236 274 R C 1.098 177.330 176.300 -0.113 0.000 1.141 274 R CA 1.020 57.071 56.100 -0.082 0.000 1.001 274 R CB -0.531 29.713 30.300 -0.094 0.000 0.866 274 R HN 1.027 nan 8.270 nan 0.000 0.468 275 G N 0.474 109.188 108.800 -0.145 0.000 2.248 275 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.252 275 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.252 275 G C 0.084 174.827 174.900 -0.262 0.000 1.085 275 G CA 0.016 45.017 45.100 -0.166 0.000 0.845 275 G HN 0.272 nan 8.290 nan 0.000 0.494 276 I N 0.018 120.332 120.570 -0.427 0.000 2.836 276 I HA 0.129 4.298 4.170 -0.001 0.000 0.285 276 I C 1.044 176.794 176.117 -0.612 0.000 1.174 276 I CA 0.125 61.113 61.300 -0.519 0.000 1.405 276 I CB 0.917 38.517 38.000 -0.666 0.000 1.385 276 I HN 0.373 nan 8.210 nan 0.000 0.594 277 E N 4.071 124.034 120.200 -0.396 0.000 2.194 277 E HA 0.037 4.387 4.350 -0.001 0.000 0.284 277 E C -0.089 176.356 176.600 -0.258 0.000 1.035 277 E CA -0.333 55.899 56.400 -0.281 0.000 0.836 277 E CB 0.684 30.304 29.700 -0.134 0.000 1.070 277 E HN 0.426 nan 8.360 nan 0.000 0.401 278 W N 3.109 124.394 121.300 -0.024 0.000 2.379 278 W HA -0.108 4.551 4.660 -0.002 0.000 0.307 278 W C 2.056 178.557 176.519 -0.030 0.000 1.200 278 W CA 0.783 58.113 57.345 -0.026 0.000 1.297 278 W CB 0.075 29.521 29.460 -0.024 0.000 1.140 278 W HN 0.692 nan 8.180 nan 0.000 0.507 279 E N 0.635 120.944 120.200 0.181 0.000 2.267 279 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 279 E C 2.121 178.752 176.600 0.052 0.000 0.998 279 E CA 1.320 57.776 56.400 0.093 0.000 0.830 279 E CB -0.144 29.584 29.700 0.046 0.000 0.751 279 E HN 0.218 nan 8.360 nan 0.000 0.491 280 A N 0.603 123.440 122.820 0.027 0.000 1.872 280 A HA -0.116 4.203 4.320 -0.001 0.000 0.214 280 A C 2.056 179.639 177.584 -0.001 0.000 1.187 280 A CA 1.009 53.040 52.037 -0.010 0.000 0.614 280 A CB -0.611 18.358 19.000 -0.052 0.000 0.826 280 A HN 0.363 nan 8.150 nan 0.000 0.442 281 L N 0.020 121.256 121.223 0.021 0.000 1.970 281 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 281 L C 2.406 179.306 176.870 0.048 0.000 1.071 281 L CA 1.813 56.681 54.840 0.046 0.000 0.751 281 L CB -0.564 41.575 42.059 0.134 0.000 0.889 281 L HN 0.438 nan 8.230 nan 0.000 0.432 282 L N -1.356 119.911 121.223 0.073 0.000 2.010 282 L HA -0.341 3.998 4.340 -0.001 0.000 0.219 282 L C 2.377 179.237 176.870 -0.017 0.000 1.077 282 L CA 1.912 56.767 54.840 0.025 0.000 0.773 282 L CB -0.688 41.387 42.059 0.027 0.000 0.892 282 L HN 0.198 nan 8.230 nan 0.000 0.436 283 V N -0.804 119.102 119.914 -0.013 0.000 2.626 283 V HA -0.238 3.881 4.120 -0.001 0.000 0.252 283 V C 2.348 178.423 176.094 -0.032 0.000 1.067 283 V CA 1.602 63.883 62.300 -0.031 0.000 1.081 283 V CB -0.404 31.406 31.823 -0.021 0.000 0.686 283 V HN 0.479 nan 8.190 nan 0.000 0.468 284 E N -0.284 119.904 120.200 -0.020 0.000 2.107 284 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 284 E C 2.300 178.891 176.600 -0.016 0.000 0.982 284 E CA 0.961 57.351 56.400 -0.017 0.000 0.809 284 E CB -0.016 29.675 29.700 -0.015 0.000 0.756 284 E HN 0.515 nan 8.360 nan 0.000 0.459 285 M N 0.418 120.005 119.600 -0.023 0.000 2.059 285 M HA -0.201 4.278 4.480 -0.001 0.000 0.259 285 M C 2.503 178.770 176.300 -0.055 0.000 1.072 285 M CA 1.333 56.614 55.300 -0.031 0.000 1.117 285 M CB -0.546 32.033 32.600 -0.034 0.000 1.320 285 M HN 0.207 nan 8.290 nan 0.000 0.408 286 L N -0.152 120.999 121.223 -0.121 0.000 2.064 286 L HA -0.239 4.100 4.340 -0.001 0.000 0.216 286 L C 2.595 179.434 176.870 -0.052 0.000 1.077 286 L CA 1.646 56.337 54.840 -0.248 0.000 0.766 286 L CB -1.263 40.610 42.059 -0.311 0.000 0.890 286 L HN 0.473 nan 8.230 nan 0.000 0.435 287 G N -0.667 108.131 108.800 -0.003 0.000 2.421 287 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.217 287 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.217 287 G C 1.563 176.523 174.900 0.100 0.000 1.143 287 G CA 0.306 45.436 45.100 0.050 0.000 0.784 287 G HN 0.204 nan 8.290 nan 0.000 0.541 288 L N -0.010 121.253 121.223 0.068 0.000 2.005 288 L HA 0.004 4.343 4.340 -0.001 0.000 0.207 288 L C 2.946 179.890 176.870 0.124 0.000 1.072 288 L CA 0.725 55.611 54.840 0.077 0.000 0.744 288 L CB -0.808 41.274 42.059 0.039 0.000 0.895 288 L HN 0.184 nan 8.230 nan 0.000 0.433 289 L N -0.649 120.655 121.223 0.134 0.000 1.990 289 L HA -0.321 4.018 4.340 -0.001 0.000 0.213 289 L C 2.649 179.683 176.870 0.274 0.000 1.072 289 L CA 1.757 56.718 54.840 0.202 0.000 0.755 289 L CB -0.872 41.331 42.059 0.241 0.000 0.889 289 L HN 0.359 nan 8.230 nan 0.000 0.432 290 H N 0.014 119.248 119.070 0.274 0.000 2.254 290 H HA -0.270 4.287 4.556 0.002 0.000 0.294 290 H C 2.422 177.817 175.328 0.112 0.000 1.071 290 H CA 2.192 58.374 56.048 0.223 0.000 1.228 290 H CB 0.040 29.952 29.762 0.250 0.000 1.358 290 H HN -0.034 nan 8.280 nan 0.000 0.495 291 R N 0.677 121.379 120.500 0.337 0.000 2.153 291 R HA -0.149 4.190 4.340 -0.001 0.000 0.252 291 R C 2.282 178.651 176.300 0.115 0.000 1.158 291 R CA 1.947 58.171 56.100 0.206 0.000 0.975 291 R CB -0.966 29.413 30.300 0.131 0.000 0.871 291 R HN 0.587 nan 8.270 nan 0.000 0.450 292 I N -0.440 120.190 120.570 0.100 0.000 2.277 292 I HA -0.115 4.054 4.170 -0.001 0.000 0.243 292 I C 2.204 178.344 176.117 0.038 0.000 1.094 292 I CA 1.191 62.530 61.300 0.066 0.000 1.393 292 I CB -0.398 37.647 38.000 0.073 0.000 1.078 292 I HN 0.214 nan 8.210 nan 0.000 0.417 293 A N 0.525 123.358 122.820 0.022 0.000 2.084 293 A HA -0.218 4.101 4.320 -0.001 0.000 0.221 293 A C 2.297 179.848 177.584 -0.055 0.000 1.161 293 A CA 1.686 53.704 52.037 -0.031 0.000 0.653 293 A CB -0.592 18.353 19.000 -0.092 0.000 0.802 293 A HN 0.426 nan 8.150 nan 0.000 0.457 294 M N -1.035 118.542 119.600 -0.038 0.000 2.394 294 M HA -0.002 4.477 4.480 -0.001 0.000 0.266 294 M C 1.437 177.740 176.300 0.004 0.000 1.098 294 M CA 0.790 56.077 55.300 -0.021 0.000 1.149 294 M CB -0.109 32.500 32.600 0.015 0.000 1.369 294 M HN 0.142 nan 8.290 nan 0.000 0.450 295 V N 0.787 120.711 119.914 0.017 0.000 3.541 295 V HA -0.118 4.002 4.120 -0.001 0.000 0.272 295 V C 1.840 177.941 176.094 0.011 0.000 1.215 295 V CA 0.966 63.276 62.300 0.017 0.000 1.176 295 V CB -1.351 30.486 31.823 0.025 0.000 0.854 295 V HN 0.526 nan 8.190 nan 0.000 0.496 296 Q N -0.380 119.422 119.800 0.003 0.000 2.204 296 Q HA 0.032 4.372 4.340 -0.001 0.000 0.198 296 Q C 1.932 177.928 176.000 -0.006 0.000 0.946 296 Q CA 0.865 56.667 55.803 -0.001 0.000 0.859 296 Q CB 0.034 28.769 28.738 -0.006 0.000 0.946 296 Q HN 0.488 nan 8.270 nan 0.000 0.474 297 L N 0.049 121.265 121.223 -0.011 0.000 2.270 297 L HA 0.045 4.384 4.340 -0.001 0.000 0.210 297 L C 0.940 177.807 176.870 -0.005 0.000 1.104 297 L CA 0.585 55.417 54.840 -0.012 0.000 0.804 297 L CB 0.205 42.252 42.059 -0.020 0.000 0.937 297 L HN 0.042 nan 8.230 nan 0.000 0.450 298 S N -3.655 112.045 115.700 -0.000 0.000 2.552 298 S HA 0.453 4.922 4.470 -0.001 0.000 0.272 298 S C -2.492 172.112 174.600 0.007 0.000 1.150 298 S CA -0.952 57.250 58.200 0.003 0.000 0.849 298 S CB 1.375 64.576 63.200 0.003 0.000 1.113 298 S HN -0.245 nan 8.310 nan 0.000 0.458 299 P HA 0.004 nan 4.420 nan 0.000 0.215 299 P C 1.515 178.821 177.300 0.010 0.000 1.157 299 P CA 2.143 65.248 63.100 0.009 0.000 0.868 299 P CB -0.220 31.484 31.700 0.007 0.000 0.788 300 A N -0.372 122.453 122.820 0.008 0.000 2.272 300 A HA 0.015 4.334 4.320 -0.001 0.000 0.213 300 A C 2.012 179.604 177.584 0.013 0.000 1.183 300 A CA 1.397 53.439 52.037 0.008 0.000 0.719 300 A CB -1.394 17.610 19.000 0.005 0.000 0.771 300 A HN 0.220 nan 8.150 nan 0.000 0.484 301 A N -0.991 121.839 122.820 0.017 0.000 2.238 301 A HA 0.440 4.759 4.320 -0.001 0.000 0.208 301 A C 0.740 178.342 177.584 0.031 0.000 1.177 301 A CA -0.019 52.034 52.037 0.026 0.000 0.804 301 A CB -0.135 18.883 19.000 0.030 0.000 0.823 301 A HN 0.434 nan 8.150 nan 0.000 0.482 302 L N 0.317 121.554 121.223 0.024 0.000 2.325 302 L HA 0.465 4.804 4.340 -0.001 0.000 0.279 302 L C 0.977 177.858 176.870 0.018 0.000 1.054 302 L CA -0.682 54.172 54.840 0.023 0.000 0.804 302 L CB 1.492 43.563 42.059 0.020 0.000 1.200 302 L HN 0.343 nan 8.230 nan 0.000 0.436 303 G N 1.181 109.992 108.800 0.017 0.000 2.544 303 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.242 303 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.242 303 G C 0.793 175.699 174.900 0.010 0.000 1.247 303 G CA -0.324 44.784 45.100 0.013 0.000 0.840 303 G HN 0.768 nan 8.290 nan 0.000 0.578 304 N N 0.159 118.863 118.700 0.007 0.000 2.149 304 N HA -0.154 4.586 4.740 -0.001 0.000 0.188 304 N C 1.699 177.215 175.510 0.010 0.000 1.019 304 N CA 1.284 54.338 53.050 0.007 0.000 0.857 304 N CB -0.177 38.312 38.487 0.003 0.000 0.997 304 N HN 0.697 nan 8.380 nan 0.000 0.426 305 D N 0.466 120.871 120.400 0.009 0.000 2.137 305 D HA -0.193 4.446 4.640 -0.001 0.000 0.193 305 D C 1.983 178.288 176.300 0.009 0.000 0.993 305 D CA 1.313 55.318 54.000 0.008 0.000 0.846 305 D CB -0.059 40.745 40.800 0.007 0.000 0.990 305 D HN 0.130 nan 8.370 nan 0.000 0.448 306 M N 0.792 120.398 119.600 0.011 0.000 2.116 306 M HA -0.278 4.202 4.480 -0.001 0.000 0.255 306 M C 2.415 178.721 176.300 0.010 0.000 1.075 306 M CA 1.598 56.904 55.300 0.011 0.000 1.087 306 M CB -1.518 31.090 32.600 0.015 0.000 1.340 306 M HN 0.237 nan 8.290 nan 0.000 0.402 307 A N 0.399 123.225 122.820 0.010 0.000 1.629 307 A HA -0.388 3.931 4.320 -0.001 0.000 0.323 307 A C 2.351 179.940 177.584 0.008 0.000 3.767 307 A CA 4.022 56.065 52.037 0.009 0.000 0.895 307 A CB -1.748 17.259 19.000 0.010 0.000 0.766 307 A HN 0.652 nan 8.150 nan 0.000 0.562 308 A N -1.616 121.207 122.820 0.006 0.000 1.872 308 A HA 0.166 4.485 4.320 -0.001 0.000 0.214 308 A C 2.173 179.759 177.584 0.004 0.000 1.187 308 A CA 1.498 53.538 52.037 0.004 0.000 0.614 308 A CB -0.472 18.529 19.000 0.001 0.000 0.826 308 A HN 0.673 nan 8.150 nan 0.000 0.442 309 I N -0.074 120.499 120.570 0.005 0.000 2.493 309 I HA -0.243 3.926 4.170 -0.001 0.000 0.254 309 I C 2.424 178.547 176.117 0.009 0.000 1.160 309 I CA 1.447 62.750 61.300 0.006 0.000 1.445 309 I CB -0.130 37.874 38.000 0.007 0.000 1.086 309 I HN 0.623 nan 8.210 nan 0.000 0.433 310 E N 1.095 121.301 120.200 0.010 0.000 2.048 310 E HA -0.340 4.010 4.350 -0.001 0.000 0.202 310 E C 2.241 178.849 176.600 0.012 0.000 1.021 310 E CA 2.059 58.466 56.400 0.012 0.000 0.825 310 E CB -0.281 29.426 29.700 0.011 0.000 0.756 310 E HN 0.335 nan 8.360 nan 0.000 0.454 311 L N 1.330 122.559 121.223 0.010 0.000 1.997 311 L HA -0.231 4.108 4.340 -0.001 0.000 0.216 311 L C 2.524 179.401 176.870 0.011 0.000 1.074 311 L CA 2.177 57.022 54.840 0.010 0.000 0.763 311 L CB -0.606 41.458 42.059 0.008 0.000 0.890 311 L HN 0.105 nan 8.230 nan 0.000 0.434 312 R N -1.545 118.961 120.500 0.010 0.000 2.103 312 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 312 R C 2.235 178.544 176.300 0.014 0.000 1.142 312 R CA 2.019 58.125 56.100 0.010 0.000 0.960 312 R CB -0.419 29.886 30.300 0.008 0.000 0.858 312 R HN 0.386 nan 8.270 nan 0.000 0.439 313 M N 0.247 119.857 119.600 0.016 0.000 2.065 313 M HA -0.191 4.288 4.480 -0.001 0.000 0.259 313 M C 2.193 178.507 176.300 0.023 0.000 1.071 313 M CA 1.791 57.104 55.300 0.021 0.000 1.109 313 M CB -0.826 31.788 32.600 0.024 0.000 1.313 313 M HN 0.146 nan 8.290 nan 0.000 0.408 314 R N -0.194 120.318 120.500 0.020 0.000 2.117 314 R HA -0.216 4.124 4.340 -0.001 0.000 0.243 314 R C 2.122 178.434 176.300 0.020 0.000 1.143 314 R CA 1.684 57.796 56.100 0.019 0.000 0.968 314 R CB -0.436 29.874 30.300 0.016 0.000 0.863 314 R HN 0.374 nan 8.270 nan 0.000 0.444 315 E N 1.086 121.297 120.200 0.019 0.000 2.047 315 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 315 E C 1.830 178.444 176.600 0.025 0.000 0.987 315 E CA 0.731 57.143 56.400 0.019 0.000 0.799 315 E CB -0.211 29.499 29.700 0.017 0.000 0.752 315 E HN 0.116 nan 8.360 nan 0.000 0.449 316 L N 0.144 121.382 121.223 0.026 0.000 2.081 316 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 316 L C 2.204 179.098 176.870 0.040 0.000 1.080 316 L CA 2.122 56.981 54.840 0.032 0.000 0.754 316 L CB -0.611 41.466 42.059 0.030 0.000 0.893 316 L HN 0.272 nan 8.230 nan 0.000 0.433 317 A N -1.016 121.825 122.820 0.035 0.000 1.897 317 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 317 A C 2.381 179.984 177.584 0.032 0.000 1.181 317 A CA 1.421 53.479 52.037 0.035 0.000 0.620 317 A CB -0.432 18.585 19.000 0.029 0.000 0.821 317 A HN 0.409 nan 8.150 nan 0.000 0.443 318 R N -0.342 120.174 120.500 0.027 0.000 2.082 318 R HA -0.093 4.246 4.340 -0.001 0.000 0.234 318 R C 1.340 177.656 176.300 0.028 0.000 1.136 318 R CA 1.717 57.831 56.100 0.023 0.000 0.935 318 R CB -0.724 29.588 30.300 0.020 0.000 0.842 318 R HN 0.596 nan 8.270 nan 0.000 0.430 319 T N -0.485 114.089 114.554 0.033 0.000 3.591 319 T HA 0.457 4.806 4.350 -0.001 0.000 0.232 319 T C 0.176 174.908 174.700 0.054 0.000 1.116 319 T CA -0.192 61.931 62.100 0.038 0.000 1.063 319 T CB -0.629 68.261 68.868 0.035 0.000 1.227 319 T HN 0.007 nan 8.240 nan 0.000 0.685 320 I N 0.999 121.602 120.570 0.055 0.000 2.908 320 I HA 0.392 4.561 4.170 -0.001 0.000 0.300 320 I C -2.792 173.356 176.117 0.052 0.000 1.385 320 I CA -2.809 58.536 61.300 0.075 0.000 1.004 320 I CB 3.035 41.099 38.000 0.105 0.000 1.309 320 I HN 0.095 nan 8.210 nan 0.000 0.449 321 P HA 0.344 nan 4.420 nan 0.000 0.293 321 P C -2.351 174.955 177.300 0.011 0.000 1.313 321 P CA -1.679 61.430 63.100 0.014 0.000 0.787 321 P CB 0.634 32.327 31.700 -0.011 0.000 0.910 322 P HA -0.163 nan 4.420 nan 0.000 0.222 322 P C 1.349 178.635 177.300 -0.023 0.000 1.147 322 P CA 1.473 64.570 63.100 -0.005 0.000 0.790 322 P CB -0.262 31.430 31.700 -0.014 0.000 0.780 323 T N -4.413 110.120 114.554 -0.034 0.000 2.896 323 T HA -0.085 4.264 4.350 -0.001 0.000 0.263 323 T C 1.497 176.150 174.700 -0.079 0.000 1.050 323 T CA 1.016 63.085 62.100 -0.051 0.000 1.140 323 T CB -0.925 67.913 68.868 -0.050 0.000 0.877 323 T HN -0.058 nan 8.240 nan 0.000 0.457 324 D N 1.518 121.859 120.400 -0.098 0.000 2.078 324 D HA 0.012 4.651 4.640 -0.001 0.000 0.193 324 D C 2.136 178.327 176.300 -0.182 0.000 0.990 324 D CA 0.801 54.678 54.000 -0.206 0.000 0.827 324 D CB -0.474 40.216 40.800 -0.183 0.000 0.975 324 D HN 0.339 nan 8.370 nan 0.000 0.451 325 I N 0.434 121.020 120.570 0.026 0.000 2.113 325 I HA -0.377 3.793 4.170 -0.001 0.000 0.242 325 I C 2.380 178.576 176.117 0.132 0.000 1.057 325 I CA 1.536 62.937 61.300 0.168 0.000 1.314 325 I CB -0.366 37.718 38.000 0.139 0.000 1.022 325 I HN 0.098 nan 8.210 nan 0.000 0.408 326 Q N 0.557 120.373 119.800 0.027 0.000 2.364 326 Q HA -0.207 4.132 4.340 -0.001 0.000 0.209 326 Q C 1.883 177.908 176.000 0.043 0.000 0.977 326 Q CA 1.166 56.977 55.803 0.012 0.000 0.885 326 Q CB -0.087 28.608 28.738 -0.072 0.000 0.941 326 Q HN 0.439 nan 8.270 nan 0.000 0.464 327 L N -0.893 120.307 121.223 -0.038 0.000 2.023 327 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 327 L C 1.463 178.338 176.870 0.009 0.000 1.073 327 L CA 1.712 56.505 54.840 -0.079 0.000 0.745 327 L CB -0.735 41.195 42.059 -0.215 0.000 0.900 327 L HN 0.252 nan 8.230 nan 0.000 0.435 328 Y N -1.385 118.976 120.300 0.102 0.000 2.128 328 Y HA -0.332 4.216 4.550 -0.004 0.000 0.284 328 Y C 2.585 178.553 175.900 0.114 0.000 1.154 328 Y CA 2.094 60.254 58.100 0.101 0.000 1.149 328 Y CB -1.420 37.101 38.460 0.102 0.000 0.976 328 Y HN 0.250 nan 8.280 nan 0.000 0.505 329 Y N 0.923 121.334 120.300 0.184 0.000 2.151 329 Y HA -0.388 4.162 4.550 -0.000 0.000 0.284 329 Y C 2.443 178.387 175.900 0.073 0.000 1.166 329 Y CA 2.061 60.229 58.100 0.113 0.000 1.163 329 Y CB -0.275 38.236 38.460 0.086 0.000 0.974 329 Y HN 0.226 nan 8.280 nan 0.000 0.511 330 Q N -1.093 118.887 119.800 0.301 0.000 2.124 330 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 330 Q C 2.055 178.111 176.000 0.094 0.000 0.977 330 Q CA 2.231 58.145 55.803 0.185 0.000 0.850 330 Q CB -0.181 28.613 28.738 0.093 0.000 0.901 330 Q HN 0.476 nan 8.270 nan 0.000 0.429 331 T N 0.941 115.540 114.554 0.075 0.000 2.812 331 T HA -0.044 4.306 4.350 -0.001 0.000 0.264 331 T C 1.896 176.601 174.700 0.009 0.000 1.042 331 T CA 0.633 62.747 62.100 0.024 0.000 1.140 331 T CB -0.179 68.717 68.868 0.048 0.000 0.870 331 T HN 0.129 nan 8.240 nan 0.000 0.445 332 L N 0.305 121.533 121.223 0.007 0.000 1.994 332 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 332 L C 2.517 179.348 176.870 -0.066 0.000 1.071 332 L CA 0.866 55.676 54.840 -0.048 0.000 0.745 332 L CB -0.583 41.412 42.059 -0.106 0.000 0.892 332 L HN 0.192 nan 8.230 nan 0.000 0.431 333 L N 0.134 121.311 121.223 -0.078 0.000 2.043 333 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 333 L C 2.298 179.172 176.870 0.007 0.000 1.075 333 L CA 1.814 56.635 54.840 -0.031 0.000 0.752 333 L CB -0.430 41.663 42.059 0.058 0.000 0.891 333 L HN 0.112 nan 8.230 nan 0.000 0.432 334 I N -0.898 119.681 120.570 0.014 0.000 2.142 334 I HA -0.241 3.929 4.170 -0.001 0.000 0.240 334 I C 2.534 178.654 176.117 0.006 0.000 1.078 334 I CA 1.383 62.690 61.300 0.011 0.000 1.343 334 I CB -1.199 36.799 38.000 -0.005 0.000 1.046 334 I HN 0.398 nan 8.210 nan 0.000 0.405 335 G N 0.647 109.442 108.800 -0.009 0.000 2.545 335 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.222 335 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.222 335 G C 1.770 176.669 174.900 -0.002 0.000 1.126 335 G CA 1.202 46.296 45.100 -0.010 0.000 0.754 335 G HN 0.315 nan 8.290 nan 0.000 0.583 336 R N 0.457 120.954 120.500 -0.004 0.000 2.061 336 R HA -0.019 4.321 4.340 -0.001 0.000 0.230 336 R C 2.577 178.883 176.300 0.011 0.000 1.140 336 R CA 1.569 57.669 56.100 -0.001 0.000 0.940 336 R CB -0.307 29.988 30.300 -0.008 0.000 0.839 336 R HN 0.277 nan 8.270 nan 0.000 0.429 337 K N 0.156 120.572 120.400 0.027 0.000 2.218 337 K HA -0.188 4.132 4.320 -0.001 0.000 0.205 337 K C 1.902 178.563 176.600 0.102 0.000 1.046 337 K CA 1.845 58.164 56.287 0.055 0.000 0.933 337 K CB -0.009 32.528 32.500 0.061 0.000 0.728 337 K HN 0.421 nan 8.250 nan 0.000 0.454 338 E N 0.432 120.686 120.200 0.090 0.000 2.250 338 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 338 E C 1.874 178.528 176.600 0.091 0.000 0.986 338 E CA 0.095 56.580 56.400 0.142 0.000 0.849 338 E CB 0.040 29.785 29.700 0.075 0.000 0.797 338 E HN 0.119 nan 8.360 nan 0.000 0.482 339 L N 1.770 123.001 121.223 0.014 0.000 2.129 339 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 339 L C -1.114 175.712 176.870 -0.073 0.000 1.087 339 L CA 1.753 56.579 54.840 -0.024 0.000 0.757 339 L CB -0.467 41.582 42.059 -0.017 0.000 0.896 339 L HN 0.055 nan 8.230 nan 0.000 0.434 340 P HA -0.010 nan 4.420 nan 0.000 0.245 340 P C 0.374 177.433 177.300 -0.403 0.000 1.206 340 P CA 1.130 64.046 63.100 -0.308 0.000 0.781 340 P CB 0.025 31.446 31.700 -0.464 0.000 0.994 341 Y N -0.655 119.641 120.300 -0.006 0.000 2.507 341 Y HA 0.387 4.936 4.550 -0.002 0.000 0.263 341 Y C 1.492 177.383 175.900 -0.016 0.000 1.093 341 Y CA -0.538 57.556 58.100 -0.009 0.000 1.285 341 Y CB -0.322 38.133 38.460 -0.009 0.000 1.115 341 Y HN -0.202 nan 8.280 nan 0.000 0.533 342 A N 1.858 124.734 122.820 0.092 0.000 2.483 342 A HA 0.082 4.401 4.320 -0.001 0.000 0.238 342 A C -1.468 176.121 177.584 0.007 0.000 1.070 342 A CA -0.943 51.113 52.037 0.031 0.000 0.770 342 A CB -0.192 18.800 19.000 -0.014 0.000 1.008 342 A HN 0.146 nan 8.150 nan 0.000 0.497 343 P HA 0.046 nan 4.420 nan 0.000 0.226 343 P C -0.258 177.031 177.300 -0.018 0.000 1.153 343 P CA 1.291 64.389 63.100 -0.003 0.000 0.777 343 P CB 0.222 31.918 31.700 -0.006 0.000 0.794 344 D N -1.727 118.646 120.400 -0.045 0.000 2.931 344 D HA 0.141 4.780 4.640 -0.001 0.000 0.215 344 D C 0.864 177.096 176.300 -0.114 0.000 1.297 344 D CA -0.572 53.392 54.000 -0.059 0.000 0.892 344 D CB 1.189 41.947 40.800 -0.071 0.000 1.642 344 D HN -0.325 nan 8.370 nan 0.000 0.560 345 R N 2.055 122.505 120.500 -0.084 0.000 2.127 345 R HA -0.130 4.210 4.340 -0.001 0.000 0.238 345 R C 1.942 177.947 176.300 -0.492 0.000 1.134 345 R CA 1.012 57.036 56.100 -0.126 0.000 0.975 345 R CB 0.035 30.388 30.300 0.088 0.000 0.865 345 R HN 0.417 nan 8.270 nan 0.000 0.447 346 R N 1.225 121.288 120.500 -0.729 0.000 2.113 346 R HA -0.151 4.188 4.340 -0.001 0.000 0.231 346 R C 2.340 178.254 176.300 -0.644 0.000 1.129 346 R CA 1.972 57.378 56.100 -1.157 0.000 0.915 346 R CB -0.270 29.630 30.300 -0.667 0.000 0.837 346 R HN 0.103 nan 8.270 nan 0.000 0.430 347 M N -0.103 119.289 119.600 -0.348 0.000 2.116 347 M HA -0.209 4.270 4.480 -0.001 0.000 0.255 347 M C 2.290 178.472 176.300 -0.196 0.000 1.075 347 M CA 1.995 57.166 55.300 -0.216 0.000 1.087 347 M CB -0.724 31.799 32.600 -0.128 0.000 1.340 347 M HN 0.565 nan 8.290 nan 0.000 0.402 348 G N -0.314 108.368 108.800 -0.197 0.000 2.514 348 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 348 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 348 G C 1.430 176.238 174.900 -0.154 0.000 1.198 348 G CA 1.162 46.179 45.100 -0.139 0.000 0.780 348 G HN 0.347 nan 8.290 nan 0.000 0.565 349 V N 0.589 120.358 119.914 -0.241 0.000 2.343 349 V HA -0.164 3.956 4.120 -0.001 0.000 0.247 349 V C 2.673 178.664 176.094 -0.172 0.000 1.051 349 V CA 2.292 64.480 62.300 -0.187 0.000 1.036 349 V CB -0.494 31.198 31.823 -0.218 0.000 0.654 349 V HN 0.475 nan 8.190 nan 0.000 0.451 350 E N -0.623 119.434 120.200 -0.239 0.000 2.049 350 E HA -0.249 4.101 4.350 -0.001 0.000 0.198 350 E C 2.244 178.790 176.600 -0.090 0.000 1.007 350 E CA 1.551 57.855 56.400 -0.160 0.000 0.809 350 E CB -0.177 29.419 29.700 -0.174 0.000 0.749 350 E HN 0.351 nan 8.360 nan 0.000 0.450 351 M N 0.159 119.708 119.600 -0.085 0.000 2.460 351 M HA -0.084 4.395 4.480 -0.001 0.000 0.263 351 M C 1.923 178.205 176.300 -0.031 0.000 1.071 351 M CA 1.153 56.426 55.300 -0.045 0.000 1.096 351 M CB -0.340 32.235 32.600 -0.042 0.000 1.408 351 M HN 0.130 nan 8.290 nan 0.000 0.463 352 T N 0.779 115.307 114.554 -0.043 0.000 2.852 352 T HA 0.059 4.409 4.350 -0.001 0.000 0.256 352 T C 1.961 176.656 174.700 -0.008 0.000 1.038 352 T CA 0.600 62.682 62.100 -0.029 0.000 1.141 352 T CB 0.035 68.883 68.868 -0.033 0.000 0.869 352 T HN 0.283 nan 8.240 nan 0.000 0.439 353 L N 0.753 121.966 121.223 -0.016 0.000 2.046 353 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 353 L C 2.469 179.352 176.870 0.022 0.000 1.077 353 L CA 1.310 56.150 54.840 -0.001 0.000 0.747 353 L CB -0.692 41.356 42.059 -0.019 0.000 0.896 353 L HN 0.277 nan 8.230 nan 0.000 0.432 354 L N -0.609 120.623 121.223 0.014 0.000 2.079 354 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 354 L C 2.848 179.777 176.870 0.098 0.000 1.081 354 L CA 1.246 56.110 54.840 0.041 0.000 0.752 354 L CB -0.505 41.569 42.059 0.025 0.000 0.896 354 L HN 0.245 nan 8.230 nan 0.000 0.433 355 R N 0.105 120.653 120.500 0.079 0.000 2.075 355 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 355 R C 2.387 178.784 176.300 0.161 0.000 1.126 355 R CA 1.288 57.447 56.100 0.098 0.000 0.963 355 R CB -0.255 30.009 30.300 -0.060 0.000 0.858 355 R HN 0.343 nan 8.270 nan 0.000 0.435 356 A N 1.139 124.035 122.820 0.128 0.000 1.917 356 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 356 A C 2.160 179.915 177.584 0.284 0.000 1.182 356 A CA 1.344 53.512 52.037 0.218 0.000 0.633 356 A CB -0.540 18.564 19.000 0.174 0.000 0.819 356 A HN 0.348 nan 8.150 nan 0.000 0.448 357 L N -1.345 119.992 121.223 0.191 0.000 2.044 357 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 357 L C 3.136 180.127 176.870 0.202 0.000 1.075 357 L CA 0.973 55.900 54.840 0.145 0.000 0.747 357 L CB -0.606 41.479 42.059 0.044 0.000 0.903 357 L HN 0.450 nan 8.230 nan 0.000 0.435 358 A N -0.062 122.897 122.820 0.231 0.000 1.940 358 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 358 A C 1.542 179.153 177.584 0.046 0.000 1.176 358 A CA 1.547 53.672 52.037 0.148 0.000 0.631 358 A CB -0.597 18.505 19.000 0.169 0.000 0.814 358 A HN 0.393 nan 8.150 nan 0.000 0.446 359 F N -0.468 119.537 119.950 0.092 0.000 2.645 359 F HA 0.196 4.721 4.527 -0.002 0.000 0.300 359 F C 0.914 176.775 175.800 0.102 0.000 1.115 359 F CA -0.856 57.188 58.000 0.074 0.000 1.355 359 F CB -0.683 38.347 39.000 0.050 0.000 1.026 359 F HN 0.302 nan 8.300 nan 0.000 0.536 360 H N 2.858 122.042 119.070 0.189 0.000 3.004 360 H HA -0.004 4.552 4.556 -0.000 0.000 0.316 360 H C -1.630 173.744 175.328 0.077 0.000 1.014 360 H CA -1.031 55.113 56.048 0.159 0.000 1.454 360 H CB 1.343 31.200 29.762 0.158 0.000 1.472 360 H HN 0.026 nan 8.280 nan 0.000 0.571 361 P HA -0.149 nan 4.420 nan 0.000 0.213 361 P C 1.600 178.787 177.300 -0.189 0.000 1.170 361 P CA 0.884 63.860 63.100 -0.206 0.000 0.893 361 P CB 0.366 31.913 31.700 -0.254 0.000 0.784 362 R N -0.696 119.601 120.500 -0.339 0.000 2.088 362 R HA 0.022 4.362 4.340 -0.001 0.000 0.232 362 R C 1.232 177.570 176.300 0.064 0.000 1.136 362 R CA 1.359 57.388 56.100 -0.119 0.000 0.926 362 R CB -1.188 29.063 30.300 -0.081 0.000 0.837 362 R HN 0.311 nan 8.270 nan 0.000 0.429 363 M N 1.253 121.031 119.600 0.296 0.000 2.236 363 M HA 0.292 4.772 4.480 -0.001 0.000 0.228 363 M C -2.335 174.116 176.300 0.252 0.000 0.906 363 M CA -1.723 53.725 55.300 0.245 0.000 0.761 363 M CB 2.170 34.884 32.600 0.190 0.000 1.439 363 M HN -0.155 nan 8.290 nan 0.000 0.394 364 P HA 0.147 nan 4.420 nan 0.000 0.274 364 P C -0.859 176.473 177.300 0.054 0.000 1.260 364 P CA -0.636 62.531 63.100 0.111 0.000 0.793 364 P CB 0.639 32.358 31.700 0.031 0.000 1.048 365 L N 2.553 123.790 121.223 0.023 0.000 2.290 365 L HA 0.367 4.706 4.340 -0.001 0.000 0.284 365 L C -1.968 174.894 176.870 -0.014 0.000 1.078 365 L CA -1.887 52.957 54.840 0.007 0.000 0.815 365 L CB -0.232 41.835 42.059 0.014 0.000 1.162 365 L HN 0.286 nan 8.230 nan 0.000 0.435 366 P HA 0.000 nan 4.420 nan 0.000 0.262 366 P C -0.859 176.431 177.300 -0.017 0.000 1.199 366 P CA 0.100 63.193 63.100 -0.011 0.000 0.763 366 P CB 0.450 32.147 31.700 -0.005 0.000 0.790 367 E N 4.463 124.649 120.200 -0.023 0.000 2.231 367 E HA 0.335 4.685 4.350 -0.001 0.000 0.277 367 E C -1.348 175.242 176.600 -0.018 0.000 0.999 367 E CA -1.813 54.572 56.400 -0.026 0.000 0.827 367 E CB 0.641 30.319 29.700 -0.038 0.000 1.101 367 E HN 0.395 nan 8.360 nan 0.000 0.393 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.008 0.000 0.726