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 2bb5_1_B DATA FIRST_RESID 1 DATA SEQUENCE EMcEIPEMDS HLVEKLGQHL LPWMDRLSLE HLNPSIYVGL RLSSLQAGTK DATA SEQUENCE EDLYLHSLKL GYQQCLLGSA FSEDDGDCQG KPSMGQLALY LLALRANcEF DATA SEQUENCE VRGHKGDRLV SQLKWFLEDE KRAIGHDHKG HPHTSYYQYG LGILALcLHQ DATA SEQUENCE KRVHDSVVDK LLYAVEPFHQ GHHSVDTAAM AGLAFTcLKR SNFNPGRRQR DATA SEQUENCE ITMAIRTVRE EILKAQTPEG HFGNVYSTPL ALQFLMTSPM PGAELGTAcL DATA SEQUENCE KARVALLASL QDGAFQNALM ISQLLPVLNH KTYIDLIFPD cLAPRVMLEP DATA SEQUENCE AAETIPQTQE IISVTLQVLS LLPPYRQSIS VLAGSTVEDV LKKAHELGGF DATA SEQUENCE TYETQASLSG PYLTSVMGKA AGEREFWQLL RDPNTPLLQG IADYRPKDGE DATA SEQUENCE TIELRLVSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.587 176.600 -0.022 0.000 1.382 1 E CA 0.000 56.380 56.400 -0.033 0.000 0.976 1 E CB 0.000 29.680 29.700 -0.034 0.000 0.812 2 M N -0.008 119.580 119.600 -0.020 0.000 2.086 2 M HA 0.030 4.510 4.480 -0.000 0.000 0.261 2 M C 1.203 177.501 176.300 -0.004 0.000 1.067 2 M CA 1.016 56.309 55.300 -0.011 0.000 1.116 2 M CB -0.894 31.699 32.600 -0.012 0.000 1.348 2 M HN 0.565 nan 8.290 nan 0.000 0.407 3 c N 3.013 121.605 118.600 -0.013 0.000 2.203 3 c HA 0.356 4.925 4.570 -0.000 0.000 0.413 3 c C -0.030 174.063 174.090 0.004 0.000 1.054 3 c CA -0.428 55.900 56.329 -0.003 0.000 1.496 3 c CB -1.486 41.005 42.510 -0.032 0.000 1.573 3 c HN 0.231 nan 8.230 nan 0.000 0.498 4 E N 2.602 122.814 120.200 0.020 0.000 2.293 4 E HA 0.468 4.818 4.350 -0.000 0.000 0.270 4 E C -1.015 175.619 176.600 0.057 0.000 0.879 4 E CA -0.526 55.898 56.400 0.039 0.000 0.756 4 E CB 2.120 31.829 29.700 0.014 0.000 1.208 4 E HN 0.481 nan 8.360 nan 0.000 0.428 5 I N 3.792 124.415 120.570 0.088 0.000 2.331 5 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 5 I C -2.097 174.091 176.117 0.118 0.000 0.998 5 I CA -1.775 59.573 61.300 0.080 0.000 1.267 5 I CB 0.705 38.738 38.000 0.055 0.000 1.386 5 I HN 0.131 nan 8.210 nan 0.000 0.476 6 P HA 0.032 nan 4.420 nan 0.000 0.270 6 P C -0.149 177.214 177.300 0.106 0.000 1.223 6 P CA -0.508 62.646 63.100 0.090 0.000 0.785 6 P CB 0.478 32.205 31.700 0.045 0.000 0.923 7 E N 1.274 121.554 120.200 0.133 0.000 2.459 7 E HA -0.027 4.323 4.350 -0.000 0.000 0.264 7 E C -0.412 176.208 176.600 0.033 0.000 1.055 7 E CA 0.410 56.862 56.400 0.086 0.000 0.957 7 E CB 0.317 30.072 29.700 0.092 0.000 0.952 7 E HN 0.310 nan 8.360 nan 0.000 0.448 8 M N 1.819 121.422 119.600 0.005 0.000 2.679 8 M HA 0.099 4.579 4.480 -0.000 0.000 0.287 8 M C -0.386 175.921 176.300 0.013 0.000 1.202 8 M CA -0.703 54.599 55.300 0.003 0.000 0.911 8 M CB 1.026 33.617 32.600 -0.015 0.000 1.556 8 M HN 0.459 nan 8.290 nan 0.000 0.511 9 D N 0.289 120.702 120.400 0.021 0.000 2.502 9 D HA -0.034 4.606 4.640 -0.000 0.000 0.249 9 D C 0.908 177.235 176.300 0.046 0.000 1.188 9 D CA 0.507 54.530 54.000 0.038 0.000 0.890 9 D CB 0.765 41.593 40.800 0.046 0.000 1.140 9 D HN 0.595 nan 8.370 nan 0.000 0.505 10 S N 3.752 119.483 115.700 0.052 0.000 2.392 10 S HA -0.311 4.159 4.470 -0.000 0.000 0.232 10 S C 1.817 176.433 174.600 0.027 0.000 1.041 10 S CA 1.119 59.341 58.200 0.037 0.000 1.026 10 S CB -0.500 62.731 63.200 0.052 0.000 0.845 10 S HN 0.725 nan 8.310 nan 0.000 0.465 11 H N 0.332 119.402 119.070 0.000 0.000 2.547 11 H HA 0.271 4.827 4.556 -0.000 0.000 0.272 11 H C 1.946 177.280 175.328 0.009 0.000 0.989 11 H CA 0.800 56.850 56.048 0.003 0.000 1.214 11 H CB 0.026 29.790 29.762 0.005 0.000 1.389 11 H HN 0.372 nan 8.280 nan 0.000 0.577 12 L N 0.029 121.304 121.223 0.086 0.000 2.131 12 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 12 L C 2.240 179.119 176.870 0.016 0.000 1.087 12 L CA 0.447 55.320 54.840 0.056 0.000 0.767 12 L CB 0.029 42.114 42.059 0.044 0.000 0.917 12 L HN 0.056 nan 8.230 nan 0.000 0.441 13 V N -0.361 119.543 119.914 -0.017 0.000 2.307 13 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 13 V C 2.277 178.341 176.094 -0.050 0.000 1.045 13 V CA 1.812 64.086 62.300 -0.044 0.000 1.024 13 V CB -0.479 31.308 31.823 -0.061 0.000 0.651 13 V HN 0.449 nan 8.190 nan 0.000 0.449 14 E N 0.087 120.231 120.200 -0.093 0.000 2.118 14 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 14 E C 2.336 178.886 176.600 -0.082 0.000 0.992 14 E CA 1.400 57.713 56.400 -0.145 0.000 0.804 14 E CB -0.106 29.384 29.700 -0.350 0.000 0.741 14 E HN 0.520 nan 8.360 nan 0.000 0.458 15 K N 0.523 120.905 120.400 -0.029 0.000 2.032 15 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 15 K C 2.126 178.790 176.600 0.108 0.000 1.048 15 K CA 1.176 57.487 56.287 0.040 0.000 0.927 15 K CB -0.093 32.462 32.500 0.091 0.000 0.712 15 K HN 0.138 nan 8.250 nan 0.000 0.441 16 L N -0.082 121.209 121.223 0.113 0.000 2.027 16 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 16 L C 2.617 179.571 176.870 0.139 0.000 1.074 16 L CA 1.396 56.334 54.840 0.163 0.000 0.745 16 L CB -0.776 41.318 42.059 0.058 0.000 0.898 16 L HN 0.433 nan 8.230 nan 0.000 0.433 17 G N -0.863 107.967 108.800 0.051 0.000 2.442 17 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 17 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 17 G C 1.495 176.417 174.900 0.037 0.000 1.141 17 G CA 0.504 45.620 45.100 0.027 0.000 0.763 17 G HN 0.388 nan 8.290 nan 0.000 0.554 18 Q N -0.725 119.082 119.800 0.011 0.000 2.224 18 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 18 Q C 2.260 178.240 176.000 -0.033 0.000 0.970 18 Q CA 0.739 56.522 55.803 -0.034 0.000 0.865 18 Q CB -0.088 28.598 28.738 -0.085 0.000 0.922 18 Q HN 0.559 nan 8.270 nan 0.000 0.445 19 H N -0.260 118.852 119.070 0.069 0.000 2.423 19 H HA -0.032 4.524 4.556 -0.000 0.000 0.297 19 H C 1.869 177.313 175.328 0.194 0.000 1.075 19 H CA 0.991 57.110 56.048 0.118 0.000 1.342 19 H CB 0.245 30.093 29.762 0.142 0.000 1.395 19 H HN 0.264 nan 8.280 nan 0.000 0.530 20 L N -0.073 121.317 121.223 0.278 0.000 2.240 20 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 20 L C 2.410 179.411 176.870 0.217 0.000 1.106 20 L CA 0.029 55.039 54.840 0.284 0.000 0.793 20 L CB -0.170 41.970 42.059 0.134 0.000 0.927 20 L HN 0.134 nan 8.230 nan 0.000 0.446 21 L N 1.243 122.526 121.223 0.100 0.000 2.043 21 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 21 L C -0.301 176.574 176.870 0.009 0.000 1.075 21 L CA 2.241 57.101 54.840 0.034 0.000 0.752 21 L CB -1.498 40.559 42.059 -0.003 0.000 0.891 21 L HN 0.165 nan 8.230 nan 0.000 0.432 22 P HA -0.158 nan 4.420 nan 0.000 0.230 22 P C 1.169 178.335 177.300 -0.223 0.000 1.158 22 P CA 1.200 64.197 63.100 -0.172 0.000 0.769 22 P CB -0.288 31.241 31.700 -0.285 0.000 0.807 23 W N -0.663 120.648 121.300 0.018 0.000 2.658 23 W HA 0.126 4.786 4.660 -0.000 0.000 0.263 23 W C 2.116 178.674 176.519 0.065 0.000 1.274 23 W CA 0.032 57.405 57.345 0.046 0.000 1.343 23 W CB -0.557 28.933 29.460 0.050 0.000 1.106 23 W HN -0.221 nan 8.180 nan 0.000 0.615 24 M N 0.194 119.893 119.600 0.164 0.000 2.700 24 M HA -0.096 4.383 4.480 -0.000 0.000 0.249 24 M C 0.183 176.630 176.300 0.246 0.000 1.082 24 M CA 1.348 56.708 55.300 0.099 0.000 1.077 24 M CB -0.754 31.856 32.600 0.017 0.000 1.477 24 M HN 0.064 nan 8.290 nan 0.000 0.529 25 D N -0.771 119.745 120.400 0.193 0.000 2.479 25 D HA 0.085 4.725 4.640 -0.000 0.000 0.221 25 D C 0.670 177.052 176.300 0.137 0.000 1.104 25 D CA 0.088 54.170 54.000 0.136 0.000 0.849 25 D CB 0.534 41.359 40.800 0.041 0.000 1.072 25 D HN 0.239 nan 8.370 nan 0.000 0.502 26 R N 1.775 122.386 120.500 0.184 0.000 2.891 26 R HA 0.244 4.584 4.340 -0.000 0.000 0.248 26 R C 0.867 177.330 176.300 0.271 0.000 1.439 26 R CA -0.059 56.138 56.100 0.161 0.000 1.288 26 R CB -0.344 29.997 30.300 0.068 0.000 1.212 26 R HN 0.012 nan 8.270 nan 0.000 0.605 27 L N 0.861 122.190 121.223 0.176 0.000 2.612 27 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 27 L C 0.951 177.868 176.870 0.079 0.000 1.140 27 L CA -0.094 54.806 54.840 0.099 0.000 0.896 27 L CB 0.089 42.190 42.059 0.071 0.000 1.065 27 L HN 0.359 nan 8.230 nan 0.000 0.447 28 S N 0.551 116.332 115.700 0.136 0.000 2.552 28 S HA -0.042 4.428 4.470 -0.000 0.000 0.289 28 S C 1.217 175.881 174.600 0.107 0.000 1.304 28 S CA -0.514 57.764 58.200 0.131 0.000 1.063 28 S CB 0.749 64.073 63.200 0.208 0.000 0.848 28 S HN 0.278 nan 8.310 nan 0.000 0.499 29 L N 4.332 125.574 121.223 0.033 0.000 2.189 29 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 29 L C 1.892 178.741 176.870 -0.035 0.000 1.097 29 L CA 2.492 57.313 54.840 -0.031 0.000 0.764 29 L CB -0.873 41.140 42.059 -0.077 0.000 0.900 29 L HN 0.955 nan 8.230 nan 0.000 0.436 30 E N -3.342 116.856 120.200 -0.003 0.000 2.394 30 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 30 E C 0.850 177.350 176.600 -0.167 0.000 1.044 30 E CA 0.323 56.675 56.400 -0.079 0.000 0.939 30 E CB -0.229 29.416 29.700 -0.092 0.000 1.089 30 E HN 0.499 nan 8.360 nan 0.000 0.456 31 H N -0.500 118.630 119.070 0.101 0.000 3.854 31 H HA 0.251 4.807 4.556 -0.000 0.000 0.264 31 H C -0.218 175.227 175.328 0.195 0.000 1.170 31 H CA -0.329 55.832 56.048 0.189 0.000 1.167 31 H CB 0.638 30.584 29.762 0.308 0.000 1.558 31 H HN 0.169 nan 8.280 nan 0.000 0.751 32 L N 2.353 123.704 121.223 0.214 0.000 2.410 32 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 32 L C 0.438 177.434 176.870 0.210 0.000 1.152 32 L CA 0.168 55.095 54.840 0.146 0.000 0.855 32 L CB 0.344 42.422 42.059 0.031 0.000 1.129 32 L HN 0.068 nan 8.230 nan 0.000 0.463 33 N N 4.826 123.709 118.700 0.304 0.000 2.617 33 N HA 0.298 5.038 4.740 -0.000 0.000 0.263 33 N C -2.131 173.534 175.510 0.258 0.000 1.074 33 N CA -1.932 51.252 53.050 0.223 0.000 0.841 33 N CB 1.797 40.345 38.487 0.101 0.000 1.221 33 N HN 0.096 nan 8.380 nan 0.000 0.529 34 P HA -0.106 nan 4.420 nan 0.000 0.218 34 P C 1.236 178.607 177.300 0.119 0.000 1.146 34 P CA 0.937 64.087 63.100 0.084 0.000 0.813 34 P CB 0.484 32.144 31.700 -0.068 0.000 0.778 35 S N -1.422 114.334 115.700 0.094 0.000 2.383 35 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 35 S C 1.760 176.421 174.600 0.102 0.000 1.026 35 S CA 0.698 58.950 58.200 0.087 0.000 0.981 35 S CB -0.861 62.388 63.200 0.081 0.000 0.818 35 S HN -0.018 nan 8.310 nan 0.000 0.472 36 I N 0.032 120.657 120.570 0.092 0.000 2.142 36 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 36 I C 2.181 178.330 176.117 0.053 0.000 1.078 36 I CA 1.739 63.063 61.300 0.040 0.000 1.343 36 I CB -0.550 37.435 38.000 -0.025 0.000 1.046 36 I HN 0.376 nan 8.210 nan 0.000 0.405 37 Y N 1.393 121.703 120.300 0.017 0.000 2.081 37 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 37 Y C 2.496 178.405 175.900 0.015 0.000 1.163 37 Y CA 2.009 60.125 58.100 0.027 0.000 1.135 37 Y CB -0.408 38.140 38.460 0.146 0.000 0.970 37 Y HN -0.118 nan 8.280 nan 0.000 0.498 38 V N 0.176 120.188 119.914 0.163 0.000 2.332 38 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 38 V C 2.639 178.756 176.094 0.038 0.000 1.055 38 V CA 1.872 64.217 62.300 0.074 0.000 1.038 38 V CB -1.689 30.169 31.823 0.058 0.000 0.651 38 V HN 0.664 nan 8.190 nan 0.000 0.450 39 G N -0.137 108.698 108.800 0.057 0.000 2.491 39 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 39 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 39 G C 1.601 176.475 174.900 -0.044 0.000 1.180 39 G CA 1.302 46.422 45.100 0.033 0.000 0.774 39 G HN 0.447 nan 8.290 nan 0.000 0.562 40 L N -0.278 120.881 121.223 -0.108 0.000 1.994 40 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 40 L C 3.253 180.020 176.870 -0.170 0.000 1.071 40 L CA 0.989 55.741 54.840 -0.147 0.000 0.745 40 L CB -0.332 41.609 42.059 -0.195 0.000 0.892 40 L HN 0.089 nan 8.230 nan 0.000 0.431 41 R N 0.245 120.587 120.500 -0.262 0.000 2.117 41 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 41 R C 1.994 178.229 176.300 -0.108 0.000 1.143 41 R CA 1.273 57.239 56.100 -0.223 0.000 0.968 41 R CB -0.837 29.285 30.300 -0.296 0.000 0.863 41 R HN 0.414 nan 8.270 nan 0.000 0.444 42 L N 1.199 122.380 121.223 -0.070 0.000 2.591 42 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 42 L C 1.133 177.976 176.870 -0.046 0.000 1.133 42 L CA -0.100 54.722 54.840 -0.030 0.000 0.880 42 L CB -0.131 41.940 42.059 0.019 0.000 1.033 42 L HN 0.102 nan 8.230 nan 0.000 0.450 43 S N -1.387 114.274 115.700 -0.064 0.000 2.671 43 S HA 0.132 4.602 4.470 -0.000 0.000 0.272 43 S C 1.195 175.755 174.600 -0.066 0.000 1.174 43 S CA -0.055 58.102 58.200 -0.072 0.000 1.004 43 S CB 1.332 64.489 63.200 -0.072 0.000 1.077 43 S HN 0.181 nan 8.310 nan 0.000 0.553 44 S N -0.580 115.078 115.700 -0.069 0.000 2.593 44 S HA 0.295 4.765 4.470 -0.000 0.000 0.217 44 S C 0.226 174.795 174.600 -0.053 0.000 0.966 44 S CA -0.473 57.694 58.200 -0.054 0.000 0.914 44 S CB -0.882 62.284 63.200 -0.055 0.000 0.776 44 S HN 0.560 nan 8.310 nan 0.000 0.523 45 L N 1.369 122.556 121.223 -0.061 0.000 2.330 45 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 45 L C -0.262 176.570 176.870 -0.063 0.000 1.013 45 L CA -0.638 54.167 54.840 -0.059 0.000 0.816 45 L CB 1.759 43.783 42.059 -0.060 0.000 1.287 45 L HN 0.200 nan 8.230 nan 0.000 0.435 46 Q N 1.018 120.784 119.800 -0.056 0.000 2.271 46 Q HA 0.495 4.835 4.340 -0.000 0.000 0.268 46 Q C -0.369 175.604 176.000 -0.045 0.000 1.021 46 Q CA -0.329 55.439 55.803 -0.058 0.000 0.802 46 Q CB 2.309 31.019 28.738 -0.047 0.000 1.282 46 Q HN 0.803 nan 8.270 nan 0.000 0.431 47 A N 3.486 126.277 122.820 -0.047 0.000 1.828 47 A HA 0.391 4.711 4.320 -0.000 0.000 0.215 47 A C 1.012 178.589 177.584 -0.011 0.000 1.203 47 A CA 2.009 54.029 52.037 -0.028 0.000 0.614 47 A CB -0.789 18.195 19.000 -0.026 0.000 0.844 47 A HN 1.187 nan 8.150 nan 0.000 0.445 48 G N -3.499 105.301 108.800 0.000 0.000 2.366 48 G HA2 0.202 4.162 3.960 -0.000 0.000 0.190 48 G HA3 0.202 4.162 3.960 -0.000 0.000 0.190 48 G C 0.776 175.696 174.900 0.032 0.000 1.299 48 G CA 0.691 45.798 45.100 0.012 0.000 1.056 48 G HN 0.991 nan 8.290 nan 0.000 0.468 49 T N -0.221 114.354 114.554 0.035 0.000 2.867 49 T HA -0.001 4.349 4.350 -0.000 0.000 0.268 49 T C 1.998 176.743 174.700 0.075 0.000 1.057 49 T CA 1.882 64.011 62.100 0.049 0.000 1.136 49 T CB -0.260 68.630 68.868 0.036 0.000 0.874 49 T HN 0.476 nan 8.240 nan 0.000 0.466 50 K N 1.396 121.841 120.400 0.074 0.000 2.127 50 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 50 K C 2.247 178.951 176.600 0.173 0.000 1.047 50 K CA 1.762 58.114 56.287 0.109 0.000 0.927 50 K CB -0.364 32.185 32.500 0.082 0.000 0.716 50 K HN 0.622 nan 8.250 nan 0.000 0.450 51 E N 0.918 121.208 120.200 0.150 0.000 2.033 51 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 51 E C 1.861 178.669 176.600 0.347 0.000 1.011 51 E CA 1.411 57.954 56.400 0.238 0.000 0.815 51 E CB -0.053 29.726 29.700 0.132 0.000 0.755 51 E HN 0.302 nan 8.360 nan 0.000 0.451 52 D N 0.481 121.021 120.400 0.234 0.000 2.123 52 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 52 D C 2.091 178.507 176.300 0.193 0.000 0.992 52 D CA 0.778 54.899 54.000 0.201 0.000 0.833 52 D CB -0.111 40.764 40.800 0.124 0.000 0.954 52 D HN 0.072 nan 8.370 nan 0.000 0.455 53 L N -0.056 121.275 121.223 0.181 0.000 2.093 53 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 53 L C 2.246 179.258 176.870 0.236 0.000 1.085 53 L CA 1.248 56.190 54.840 0.170 0.000 0.755 53 L CB -0.506 41.629 42.059 0.126 0.000 0.904 53 L HN -0.013 nan 8.230 nan 0.000 0.435 54 Y N -0.756 119.634 120.300 0.150 0.000 2.145 54 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 54 Y C 2.333 178.271 175.900 0.063 0.000 1.145 54 Y CA 2.056 60.244 58.100 0.146 0.000 1.148 54 Y CB -0.179 38.404 38.460 0.206 0.000 0.981 54 Y HN 0.275 nan 8.280 nan 0.000 0.507 55 L N -0.398 120.896 121.223 0.118 0.000 2.083 55 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 55 L C 2.351 179.180 176.870 -0.068 0.000 1.083 55 L CA 2.418 57.139 54.840 -0.197 0.000 0.752 55 L CB -0.923 40.940 42.059 -0.326 0.000 0.899 55 L HN 0.430 nan 8.230 nan 0.000 0.433 56 H N -1.315 117.734 119.070 -0.036 0.000 2.389 56 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 56 H C 2.089 177.402 175.328 -0.026 0.000 1.081 56 H CA 1.821 57.861 56.048 -0.014 0.000 1.345 56 H CB -0.038 29.732 29.762 0.013 0.000 1.393 56 H HN 0.398 nan 8.280 nan 0.000 0.520 57 S N 0.279 115.949 115.700 -0.049 0.000 2.383 57 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 57 S C 2.225 176.735 174.600 -0.150 0.000 1.026 57 S CA 1.097 59.227 58.200 -0.117 0.000 0.981 57 S CB -0.232 62.920 63.200 -0.080 0.000 0.818 57 S HN 0.354 nan 8.310 nan 0.000 0.472 58 L N 1.258 122.386 121.223 -0.157 0.000 1.989 58 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 58 L C 2.495 179.363 176.870 -0.003 0.000 1.071 58 L CA 1.407 56.205 54.840 -0.070 0.000 0.749 58 L CB -0.490 41.492 42.059 -0.128 0.000 0.890 58 L HN 0.255 nan 8.230 nan 0.000 0.431 59 K N -0.328 120.087 120.400 0.024 0.000 2.063 59 K HA -0.235 4.084 4.320 -0.000 0.000 0.208 59 K C 1.979 178.514 176.600 -0.109 0.000 1.048 59 K CA 1.388 57.703 56.287 0.048 0.000 0.928 59 K CB -0.314 32.188 32.500 0.004 0.000 0.713 59 K HN 0.090 nan 8.250 nan 0.000 0.442 60 L N 0.625 121.718 121.223 -0.217 0.000 1.948 60 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 60 L C 2.229 179.012 176.870 -0.145 0.000 1.074 60 L CA 2.278 56.989 54.840 -0.216 0.000 0.753 60 L CB -1.160 40.723 42.059 -0.293 0.000 0.888 60 L HN 0.186 nan 8.230 nan 0.000 0.432 61 G N -1.680 107.048 108.800 -0.121 0.000 2.514 61 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 61 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 61 G C 1.469 176.253 174.900 -0.193 0.000 1.198 61 G CA 1.228 46.249 45.100 -0.131 0.000 0.780 61 G HN 0.493 nan 8.290 nan 0.000 0.565 62 Y N 0.956 121.042 120.300 -0.357 0.000 2.207 62 Y HA -0.112 4.438 4.550 0.000 0.000 0.287 62 Y C 3.205 178.849 175.900 -0.426 0.000 1.156 62 Y CA 1.809 59.610 58.100 -0.498 0.000 1.182 62 Y CB -0.075 37.794 38.460 -0.985 0.000 0.979 62 Y HN 0.291 nan 8.280 nan 0.000 0.521 63 Q N -0.759 118.915 119.800 -0.210 0.000 2.089 63 Q HA -0.195 4.145 4.340 -0.000 0.000 0.195 63 Q C 2.247 178.172 176.000 -0.125 0.000 0.963 63 Q CA 0.946 56.661 55.803 -0.146 0.000 0.834 63 Q CB -0.233 28.452 28.738 -0.089 0.000 0.906 63 Q HN 0.507 nan 8.270 nan 0.000 0.452 64 Q N 0.125 119.851 119.800 -0.122 0.000 2.152 64 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 64 Q C 1.788 177.717 176.000 -0.117 0.000 0.985 64 Q CA 1.714 57.453 55.803 -0.107 0.000 0.863 64 Q CB 0.030 28.708 28.738 -0.100 0.000 0.904 64 Q HN 0.409 nan 8.270 nan 0.000 0.422 65 C N -0.823 118.385 119.300 -0.152 0.000 2.518 65 C HA 0.133 4.593 4.460 -0.000 0.000 0.283 65 C C 2.296 177.193 174.990 -0.154 0.000 1.351 65 C CA -0.118 58.803 59.018 -0.161 0.000 1.745 65 C CB -0.490 27.123 27.740 -0.212 0.000 2.107 65 C HN 0.507 nan 8.230 nan 0.000 0.502 66 L N 0.646 121.770 121.223 -0.166 0.000 2.509 66 L HA 0.171 4.511 4.340 -0.000 0.000 0.222 66 L C -0.222 176.581 176.870 -0.112 0.000 1.123 66 L CA 0.625 55.381 54.840 -0.141 0.000 0.856 66 L CB 0.041 42.013 42.059 -0.144 0.000 0.985 66 L HN 0.393 nan 8.230 nan 0.000 0.456 67 L N -2.641 118.518 121.223 -0.106 0.000 2.482 67 L HA 0.904 5.244 4.340 -0.000 0.000 0.269 67 L C -0.540 176.276 176.870 -0.089 0.000 0.967 67 L CA -0.590 54.195 54.840 -0.092 0.000 0.851 67 L CB 1.602 43.617 42.059 -0.073 0.000 1.242 67 L HN -0.103 nan 8.230 nan 0.000 0.404 68 G N 0.909 109.654 108.800 -0.093 0.000 2.486 68 G HA2 0.325 4.285 3.960 -0.000 0.000 0.220 68 G HA3 0.325 4.285 3.960 -0.000 0.000 0.220 68 G C -0.343 174.508 174.900 -0.081 0.000 1.313 68 G CA 0.061 45.110 45.100 -0.086 0.000 1.187 68 G HN 1.027 nan 8.290 nan 0.000 0.599 69 S N 0.350 115.997 115.700 -0.088 0.000 2.631 69 S HA 0.614 5.084 4.470 -0.000 0.000 0.248 69 S C 1.738 176.297 174.600 -0.068 0.000 0.949 69 S CA 1.918 60.079 58.200 -0.065 0.000 1.470 69 S CB -0.584 62.582 63.200 -0.057 0.000 1.248 69 S HN 2.679 nan 8.310 nan 0.000 0.662 70 A N 1.334 124.071 122.820 -0.138 0.000 5.002 70 A HA -0.280 4.040 4.320 -0.000 0.000 0.326 70 A C 0.413 177.760 177.584 -0.394 0.000 1.875 70 A CA 1.983 53.858 52.037 -0.270 0.000 0.708 70 A CB -1.935 17.011 19.000 -0.091 0.000 1.371 70 A HN 0.895 nan 8.150 nan 0.000 0.378 71 F N 2.026 121.957 119.950 -0.032 0.000 2.730 71 F HA 0.494 5.021 4.527 -0.000 0.000 0.295 71 F C 1.102 176.881 175.800 -0.034 0.000 1.143 71 F CA 0.794 58.775 58.000 -0.032 0.000 1.367 71 F CB 0.335 39.319 39.000 -0.026 0.000 0.970 71 F HN 0.551 nan 8.300 nan 0.000 0.514 72 S N 1.087 116.823 115.700 0.059 0.000 3.388 72 S HA -0.228 4.242 4.470 -0.000 0.000 0.569 72 S C 1.145 175.766 174.600 0.035 0.000 0.676 72 S CA 0.574 58.788 58.200 0.023 0.000 1.373 72 S CB -0.708 62.493 63.200 0.002 0.000 1.106 72 S HN 0.744 nan 8.310 nan 0.000 0.833 73 E N 1.730 121.942 120.200 0.020 0.000 2.014 73 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 73 E C -0.346 176.255 176.600 0.002 0.000 0.980 73 E CA 0.989 57.398 56.400 0.015 0.000 0.807 73 E CB 0.223 29.929 29.700 0.009 0.000 0.770 73 E HN 0.785 nan 8.360 nan 0.000 0.451 74 D N -0.327 120.069 120.400 -0.007 0.000 10.596 74 D HA -0.098 4.542 4.640 -0.000 0.000 0.303 74 D C -0.945 175.347 176.300 -0.014 0.000 3.073 74 D CA 1.013 55.005 54.000 -0.013 0.000 2.815 74 D CB -0.511 40.283 40.800 -0.010 0.000 1.177 74 D HN 0.461 nan 8.370 nan 0.000 0.913 75 D N -0.097 120.292 120.400 -0.018 0.000 2.107 75 D HA 0.337 4.977 4.640 -0.000 0.000 0.458 75 D C 1.202 177.489 176.300 -0.020 0.000 0.958 75 D CA 1.063 55.052 54.000 -0.018 0.000 0.966 75 D CB 0.166 40.954 40.800 -0.019 0.000 1.526 75 D HN 0.881 nan 8.370 nan 0.000 0.505 76 G N 0.892 109.678 108.800 -0.024 0.000 1.849 76 G HA2 0.152 4.112 3.960 -0.000 0.000 0.066 76 G HA3 0.152 4.112 3.960 -0.000 0.000 0.066 76 G C -1.665 173.216 174.900 -0.032 0.000 0.986 76 G CA 0.151 45.236 45.100 -0.026 0.000 1.081 76 G HN 0.432 nan 8.290 nan 0.000 0.306 77 D N -0.423 119.955 120.400 -0.036 0.000 2.445 77 D HA 0.263 4.903 4.640 -0.000 0.000 0.236 77 D C -0.068 176.203 176.300 -0.049 0.000 1.315 77 D CA -0.228 53.744 54.000 -0.046 0.000 0.924 77 D CB 0.336 41.106 40.800 -0.049 0.000 1.447 77 D HN 0.352 nan 8.370 nan 0.000 0.532 78 C N 1.826 121.098 119.300 -0.048 0.000 2.477 78 C HA 0.033 4.493 4.460 -0.000 0.000 0.321 78 C C 1.587 176.543 174.990 -0.056 0.000 1.369 78 C CA 0.566 59.556 59.018 -0.046 0.000 1.607 78 C CB -1.618 26.098 27.740 -0.040 0.000 1.632 78 C HN 0.644 nan 8.230 nan 0.000 0.597 79 Q N -3.090 116.669 119.800 -0.069 0.000 2.038 79 Q HA 0.189 4.529 4.340 -0.000 0.000 0.202 79 Q C 1.388 177.330 176.000 -0.096 0.000 0.690 79 Q CA 0.823 56.573 55.803 -0.088 0.000 0.834 79 Q CB -0.207 28.465 28.738 -0.110 0.000 1.250 79 Q HN 0.299 nan 8.270 nan 0.000 0.430 80 G N 2.269 111.016 108.800 -0.088 0.000 2.363 80 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.238 80 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.238 80 G C -0.050 174.784 174.900 -0.110 0.000 1.062 80 G CA 0.266 45.313 45.100 -0.087 0.000 0.629 80 G HN 0.232 nan 8.290 nan 0.000 0.514 81 K N -0.478 119.832 120.400 -0.149 0.000 7.055 81 K HA -0.098 4.222 4.320 -0.000 0.000 0.623 81 K C -2.678 173.783 176.600 -0.231 0.000 2.571 81 K CA 0.447 56.619 56.287 -0.192 0.000 1.982 81 K CB -0.835 31.576 32.500 -0.149 0.000 2.344 81 K HN 0.411 nan 8.250 nan 0.000 0.202 82 P HA -0.005 nan 4.420 nan 0.000 0.268 82 P C -0.141 177.029 177.300 -0.217 0.000 1.205 82 P CA -0.249 62.629 63.100 -0.370 0.000 0.771 82 P CB 0.708 31.980 31.700 -0.714 0.000 0.858 83 S N 2.277 117.881 115.700 -0.159 0.000 2.584 83 S HA 0.095 4.565 4.470 -0.000 0.000 0.270 83 S C 1.247 175.721 174.600 -0.210 0.000 1.346 83 S CA -0.339 57.767 58.200 -0.157 0.000 1.018 83 S CB 0.321 63.446 63.200 -0.126 0.000 0.899 83 S HN 0.194 nan 8.310 nan 0.000 0.542 84 M N 2.694 122.076 119.600 -0.364 0.000 2.213 84 M HA 0.103 4.583 4.480 -0.000 0.000 0.263 84 M C 2.313 178.302 176.300 -0.517 0.000 1.062 84 M CA 1.821 56.795 55.300 -0.543 0.000 1.105 84 M CB -1.433 30.536 32.600 -1.052 0.000 1.385 84 M HN 0.979 nan 8.290 nan 0.000 0.417 85 G N -1.021 107.489 108.800 -0.483 0.000 2.440 85 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 85 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 85 G C 1.531 176.396 174.900 -0.059 0.000 1.154 85 G CA 0.737 45.724 45.100 -0.187 0.000 0.767 85 G HN 0.488 nan 8.290 nan 0.000 0.552 86 Q N -0.735 119.043 119.800 -0.036 0.000 2.119 86 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 86 Q C 2.453 178.565 176.000 0.188 0.000 0.972 86 Q CA 0.961 56.820 55.803 0.094 0.000 0.847 86 Q CB -0.238 28.569 28.738 0.116 0.000 0.903 86 Q HN 0.441 nan 8.270 nan 0.000 0.433 87 L N 0.615 121.913 121.223 0.126 0.000 2.042 87 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 87 L C 2.094 179.017 176.870 0.087 0.000 1.076 87 L CA 2.096 57.025 54.840 0.148 0.000 0.749 87 L CB -0.799 41.281 42.059 0.036 0.000 0.893 87 L HN 0.132 nan 8.230 nan 0.000 0.432 88 A N -0.280 122.544 122.820 0.007 0.000 1.883 88 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 88 A C 2.318 179.884 177.584 -0.030 0.000 1.186 88 A CA 2.266 54.293 52.037 -0.016 0.000 0.624 88 A CB -1.021 17.964 19.000 -0.025 0.000 0.822 88 A HN 0.528 nan 8.150 nan 0.000 0.444 89 L N -2.116 119.094 121.223 -0.022 0.000 2.093 89 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 89 L C 2.580 179.393 176.870 -0.096 0.000 1.085 89 L CA 1.634 56.434 54.840 -0.067 0.000 0.755 89 L CB -0.558 41.484 42.059 -0.027 0.000 0.904 89 L HN 0.652 nan 8.230 nan 0.000 0.435 90 Y N 0.380 120.526 120.300 -0.256 0.000 2.256 90 Y HA -0.289 4.261 4.550 0.000 0.000 0.288 90 Y C 2.177 177.943 175.900 -0.224 0.000 1.155 90 Y CA 1.431 59.291 58.100 -0.400 0.000 1.203 90 Y CB -0.117 37.933 38.460 -0.684 0.000 0.980 90 Y HN 0.009 nan 8.280 nan 0.000 0.530 91 L N 0.057 121.152 121.223 -0.214 0.000 2.093 91 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 91 L C 2.332 179.192 176.870 -0.017 0.000 1.085 91 L CA 1.471 56.203 54.840 -0.179 0.000 0.755 91 L CB -0.816 41.166 42.059 -0.129 0.000 0.904 91 L HN 0.328 nan 8.230 nan 0.000 0.435 92 L N -1.501 119.654 121.223 -0.113 0.000 2.141 92 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 92 L C 2.648 179.433 176.870 -0.143 0.000 1.094 92 L CA 1.057 55.802 54.840 -0.159 0.000 0.763 92 L CB -1.185 40.708 42.059 -0.277 0.000 0.908 92 L HN 0.264 nan 8.230 nan 0.000 0.437 93 A N 0.830 123.548 122.820 -0.170 0.000 1.877 93 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 93 A C 2.328 179.806 177.584 -0.177 0.000 1.186 93 A CA 1.329 53.300 52.037 -0.111 0.000 0.620 93 A CB -0.675 18.178 19.000 -0.245 0.000 0.822 93 A HN 0.324 nan 8.150 nan 0.000 0.443 94 L N -0.914 120.101 121.223 -0.347 0.000 2.012 94 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 94 L C 2.875 179.633 176.870 -0.185 0.000 1.073 94 L CA 1.327 56.002 54.840 -0.275 0.000 0.748 94 L CB -0.475 41.430 42.059 -0.258 0.000 0.891 94 L HN 0.284 nan 8.230 nan 0.000 0.431 95 R N 0.070 120.436 120.500 -0.223 0.000 2.105 95 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 95 R C 2.222 178.424 176.300 -0.164 0.000 1.135 95 R CA 1.454 57.369 56.100 -0.309 0.000 0.967 95 R CB -1.144 28.949 30.300 -0.344 0.000 0.861 95 R HN 0.393 nan 8.270 nan 0.000 0.442 96 A N 1.056 123.845 122.820 -0.051 0.000 2.070 96 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 96 A C 1.692 179.316 177.584 0.066 0.000 1.159 96 A CA 1.593 53.650 52.037 0.032 0.000 0.656 96 A CB -0.386 18.695 19.000 0.134 0.000 0.800 96 A HN 0.297 nan 8.150 nan 0.000 0.453 97 N N -1.320 117.426 118.700 0.077 0.000 2.273 97 N HA 0.108 4.848 4.740 -0.000 0.000 0.231 97 N C -0.292 175.202 175.510 -0.026 0.000 1.134 97 N CA 0.277 53.367 53.050 0.068 0.000 0.856 97 N CB -0.726 37.832 38.487 0.118 0.000 1.068 97 N HN 0.304 nan 8.380 nan 0.000 0.510 98 c N 0.908 119.450 118.600 -0.096 0.000 4.209 98 c HA -0.152 4.418 4.570 -0.000 0.000 0.305 98 c C -0.267 173.698 174.090 -0.208 0.000 1.339 98 c CA 0.236 56.471 56.329 -0.157 0.000 2.062 98 c CB -2.550 39.920 42.510 -0.067 0.000 1.307 98 c HN 0.473 nan 8.230 nan 0.000 0.706 99 E N -1.177 118.841 120.200 -0.303 0.000 2.293 99 E HA 0.727 5.077 4.350 -0.000 0.000 0.270 99 E C -0.578 175.794 176.600 -0.380 0.000 0.879 99 E CA -0.619 55.641 56.400 -0.233 0.000 0.756 99 E CB 1.493 31.140 29.700 -0.090 0.000 1.208 99 E HN 0.267 nan 8.360 nan 0.000 0.428 100 F N 0.786 120.762 119.950 0.044 0.000 2.470 100 F HA 0.224 4.750 4.527 -0.000 0.000 0.329 100 F C 0.291 176.197 175.800 0.178 0.000 1.072 100 F CA -1.189 56.909 58.000 0.164 0.000 0.989 100 F CB 1.154 40.221 39.000 0.112 0.000 1.193 100 F HN 0.163 nan 8.300 nan 0.000 0.481 101 V N 1.167 121.323 119.914 0.404 0.000 2.486 101 V HA 0.141 4.261 4.120 -0.000 0.000 0.290 101 V C -0.048 176.128 176.094 0.137 0.000 0.991 101 V CA -0.357 62.020 62.300 0.127 0.000 1.142 101 V CB -0.932 30.868 31.823 -0.038 0.000 0.926 101 V HN 0.695 nan 8.190 nan 0.000 0.472 102 R N 4.084 124.651 120.500 0.112 0.000 2.514 102 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 102 R C 0.695 177.048 176.300 0.088 0.000 0.962 102 R CA 0.246 56.407 56.100 0.102 0.000 0.882 102 R CB 1.808 32.170 30.300 0.104 0.000 1.143 102 R HN 1.403 nan 8.270 nan 0.000 0.452 103 G N 0.930 109.784 108.800 0.090 0.000 2.660 103 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 103 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 103 G C 0.049 175.028 174.900 0.132 0.000 1.345 103 G CA -0.233 44.949 45.100 0.137 0.000 0.877 103 G HN 0.747 nan 8.290 nan 0.000 0.549 104 H N 0.596 119.668 119.070 0.003 0.000 2.326 104 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 104 H C 2.643 177.963 175.328 -0.012 0.000 1.081 104 H CA 1.965 58.009 56.048 -0.008 0.000 1.334 104 H CB -0.175 29.576 29.762 -0.017 0.000 1.385 104 H HN 0.570 nan 8.280 nan 0.000 0.504 105 K N -0.231 120.247 120.400 0.129 0.000 2.160 105 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 105 K C 2.360 178.985 176.600 0.042 0.000 1.047 105 K CA 1.210 57.530 56.287 0.055 0.000 0.930 105 K CB -0.331 32.191 32.500 0.037 0.000 0.720 105 K HN 0.361 nan 8.250 nan 0.000 0.450 106 G N 1.711 110.542 108.800 0.052 0.000 2.414 106 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.215 106 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.215 106 G C 0.907 175.812 174.900 0.007 0.000 1.188 106 G CA 1.091 46.210 45.100 0.033 0.000 0.783 106 G HN 0.169 nan 8.290 nan 0.000 0.537 107 D N 0.132 120.529 120.400 -0.004 0.000 2.149 107 D HA -0.055 4.585 4.640 -0.000 0.000 0.198 107 D C 2.689 178.979 176.300 -0.016 0.000 0.990 107 D CA 0.546 54.530 54.000 -0.027 0.000 0.839 107 D CB -0.070 40.683 40.800 -0.080 0.000 0.948 107 D HN 0.135 nan 8.370 nan 0.000 0.460 108 R N 0.083 120.578 120.500 -0.009 0.000 2.062 108 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 108 R C 2.539 178.828 176.300 -0.017 0.000 1.136 108 R CA 0.530 56.619 56.100 -0.019 0.000 0.948 108 R CB -0.838 29.450 30.300 -0.021 0.000 0.845 108 R HN 0.297 nan 8.270 nan 0.000 0.430 109 L N 0.428 121.645 121.223 -0.010 0.000 1.994 109 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 109 L C 2.612 179.481 176.870 -0.002 0.000 1.071 109 L CA 1.123 55.959 54.840 -0.006 0.000 0.745 109 L CB -0.678 41.388 42.059 0.012 0.000 0.892 109 L HN -0.034 nan 8.230 nan 0.000 0.431 110 V N -0.828 119.078 119.914 -0.013 0.000 2.282 110 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 110 V C 2.722 178.836 176.094 0.033 0.000 1.057 110 V CA 2.210 64.504 62.300 -0.009 0.000 1.032 110 V CB -0.576 31.236 31.823 -0.018 0.000 0.645 110 V HN 0.442 nan 8.190 nan 0.000 0.447 111 S N -1.382 114.341 115.700 0.039 0.000 2.370 111 S HA -0.286 4.183 4.470 -0.000 0.000 0.226 111 S C 2.057 176.737 174.600 0.134 0.000 1.033 111 S CA 1.946 60.197 58.200 0.085 0.000 1.011 111 S CB -0.250 62.976 63.200 0.043 0.000 0.852 111 S HN 0.677 nan 8.310 nan 0.000 0.457 112 Q N -0.322 119.519 119.800 0.068 0.000 2.084 112 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 112 Q C 2.187 178.295 176.000 0.180 0.000 0.978 112 Q CA 1.476 57.330 55.803 0.084 0.000 0.844 112 Q CB -0.292 28.451 28.738 0.010 0.000 0.898 112 Q HN 0.443 nan 8.270 nan 0.000 0.426 113 L N 1.011 122.311 121.223 0.130 0.000 2.156 113 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 113 L C 1.780 178.769 176.870 0.198 0.000 1.095 113 L CA 1.664 56.597 54.840 0.156 0.000 0.770 113 L CB -0.087 42.013 42.059 0.067 0.000 0.914 113 L HN -0.011 nan 8.230 nan 0.000 0.439 114 K N -2.046 118.447 120.400 0.156 0.000 2.148 114 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 114 K C 1.886 178.570 176.600 0.140 0.000 1.050 114 K CA 1.696 58.050 56.287 0.112 0.000 0.942 114 K CB -0.322 32.234 32.500 0.092 0.000 0.724 114 K HN 0.308 nan 8.250 nan 0.000 0.446 115 W N 0.374 121.709 121.300 0.058 0.000 2.418 115 W HA -0.109 4.551 4.660 -0.000 0.000 0.292 115 W C 1.973 178.551 176.519 0.100 0.000 1.213 115 W CA 0.854 58.237 57.345 0.064 0.000 1.283 115 W CB -0.375 29.121 29.460 0.059 0.000 1.119 115 W HN 0.003 nan 8.180 nan 0.000 0.542 116 F N 0.509 120.591 119.950 0.221 0.000 2.069 116 F HA -0.250 4.276 4.527 -0.000 0.000 0.298 116 F C 1.958 177.805 175.800 0.077 0.000 1.113 116 F CA 1.966 60.051 58.000 0.141 0.000 1.214 116 F CB -0.898 38.161 39.000 0.098 0.000 0.978 116 F HN -0.238 nan 8.300 nan 0.000 0.474 117 L N -0.063 121.049 121.223 -0.185 0.000 2.131 117 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 117 L C 2.426 179.174 176.870 -0.203 0.000 1.092 117 L CA 1.659 56.292 54.840 -0.345 0.000 0.759 117 L CB -0.734 41.152 42.059 -0.289 0.000 0.903 117 L HN 0.184 nan 8.230 nan 0.000 0.435 118 E N 0.401 120.497 120.200 -0.174 0.000 2.106 118 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 118 E C 1.655 178.133 176.600 -0.203 0.000 0.984 118 E CA 1.258 57.530 56.400 -0.213 0.000 0.806 118 E CB 0.036 29.506 29.700 -0.383 0.000 0.750 118 E HN 0.361 nan 8.360 nan 0.000 0.458 119 D N 0.299 120.600 120.400 -0.166 0.000 2.144 119 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 119 D C 1.526 177.753 176.300 -0.121 0.000 0.978 119 D CA 0.859 54.813 54.000 -0.075 0.000 0.833 119 D CB -0.149 40.702 40.800 0.086 0.000 0.961 119 D HN 0.195 nan 8.370 nan 0.000 0.470 120 E N 0.380 120.442 120.200 -0.230 0.000 2.347 120 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 120 E C 1.764 178.223 176.600 -0.236 0.000 1.008 120 E CA 0.359 56.584 56.400 -0.292 0.000 0.852 120 E CB 0.080 29.573 29.700 -0.345 0.000 0.783 120 E HN 0.356 nan 8.360 nan 0.000 0.505 121 K N 0.730 121.059 120.400 -0.118 0.000 2.186 121 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 121 K C 1.943 178.452 176.600 -0.151 0.000 1.052 121 K CA 0.262 56.487 56.287 -0.103 0.000 0.965 121 K CB 0.304 32.791 32.500 -0.021 0.000 0.746 121 K HN -0.089 nan 8.250 nan 0.000 0.457 122 R N 0.268 120.682 120.500 -0.143 0.000 2.073 122 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 122 R C 2.302 178.506 176.300 -0.160 0.000 1.120 122 R CA 1.098 57.125 56.100 -0.122 0.000 0.967 122 R CB -0.574 29.677 30.300 -0.082 0.000 0.862 122 R HN 0.188 nan 8.270 nan 0.000 0.436 123 A N 1.700 124.377 122.820 -0.237 0.000 1.917 123 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 123 A C 2.278 179.658 177.584 -0.340 0.000 1.182 123 A CA 1.398 53.204 52.037 -0.385 0.000 0.633 123 A CB -0.539 17.953 19.000 -0.846 0.000 0.819 123 A HN 0.195 nan 8.150 nan 0.000 0.448 124 I N -0.863 119.500 120.570 -0.344 0.000 2.286 124 I HA 0.048 4.218 4.170 -0.000 0.000 0.245 124 I C 1.416 177.320 176.117 -0.354 0.000 1.104 124 I CA 0.819 61.916 61.300 -0.339 0.000 1.397 124 I CB -0.810 36.991 38.000 -0.332 0.000 1.072 124 I HN 0.492 nan 8.210 nan 0.000 0.417 125 G N 3.535 112.154 108.800 -0.301 0.000 3.144 125 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.247 125 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.247 125 G C 0.299 174.821 174.900 -0.629 0.000 0.899 125 G CA 0.194 45.107 45.100 -0.312 0.000 0.822 125 G HN 0.880 nan 8.290 nan 0.000 0.362 126 H N -0.083 118.929 119.070 -0.098 0.000 1.452 126 H HA -0.223 4.333 4.556 -0.000 0.000 0.090 126 H C 0.235 175.463 175.328 -0.166 0.000 2.582 126 H CA 1.199 57.181 56.048 -0.110 0.000 1.901 126 H CB -0.811 28.897 29.762 -0.090 0.000 2.257 126 H HN 0.465 nan 8.280 nan 0.000 0.961 127 D N 0.715 121.094 120.400 -0.034 0.000 2.336 127 D HA 0.217 4.857 4.640 -0.000 0.000 0.228 127 D C 0.104 176.140 176.300 -0.440 0.000 1.120 127 D CA 0.765 54.524 54.000 -0.402 0.000 0.839 127 D CB -0.071 40.378 40.800 -0.585 0.000 0.932 127 D HN 0.386 nan 8.370 nan 0.000 0.509 128 H N 0.217 119.124 119.070 -0.272 0.000 3.079 128 H HA 0.180 4.736 4.556 -0.000 0.000 0.356 128 H C -0.735 174.463 175.328 -0.218 0.000 1.221 128 H CA -0.726 55.243 56.048 -0.132 0.000 1.185 128 H CB 1.100 30.894 29.762 0.054 0.000 1.882 128 H HN -0.203 nan 8.280 nan 0.000 0.543 129 K N 1.574 121.674 120.400 -0.499 0.000 6.236 129 K HA -0.140 4.180 4.320 -0.000 0.000 0.607 129 K C -0.504 175.875 176.600 -0.368 0.000 1.570 129 K CA 1.319 57.372 56.287 -0.390 0.000 1.551 129 K CB -1.046 31.360 32.500 -0.157 0.000 1.812 129 K HN 1.075 nan 8.250 nan 0.000 0.338 130 G N 2.043 110.552 108.800 -0.484 0.000 2.397 130 G HA2 0.122 4.081 3.960 -0.000 0.000 0.453 130 G HA3 0.122 4.081 3.960 -0.000 0.000 0.453 130 G C -1.504 173.086 174.900 -0.518 0.000 1.579 130 G CA -1.055 43.781 45.100 -0.441 0.000 0.906 130 G HN 0.472 nan 8.290 nan 0.000 0.675 131 H N 1.939 120.881 119.070 -0.215 0.000 2.567 131 H HA 0.712 5.268 4.556 -0.000 0.000 0.345 131 H C -1.905 173.189 175.328 -0.390 0.000 1.169 131 H CA -1.472 54.428 56.048 -0.248 0.000 1.227 131 H CB 1.541 31.152 29.762 -0.250 0.000 1.607 131 H HN 0.499 nan 8.280 nan 0.000 0.534 132 P HA -0.003 nan 4.420 nan 0.000 0.269 132 P C -0.028 177.114 177.300 -0.263 0.000 1.215 132 P CA 0.110 62.931 63.100 -0.465 0.000 0.780 132 P CB 1.147 32.510 31.700 -0.562 0.000 0.898 133 H N -0.461 118.560 119.070 -0.081 0.000 2.423 133 H HA -0.094 4.462 4.556 -0.000 0.000 0.297 133 H C 1.862 177.226 175.328 0.060 0.000 1.075 133 H CA 2.074 58.121 56.048 -0.003 0.000 1.342 133 H CB -0.151 29.631 29.762 0.034 0.000 1.395 133 H HN 0.544 nan 8.280 nan 0.000 0.530 134 T N -1.753 112.920 114.554 0.199 0.000 3.356 134 T HA 0.201 4.551 4.350 -0.000 0.000 0.220 134 T C 0.673 175.477 174.700 0.174 0.000 0.963 134 T CA 0.219 62.454 62.100 0.226 0.000 1.540 134 T CB 0.174 69.254 68.868 0.353 0.000 1.320 134 T HN 0.313 nan 8.240 nan 0.000 0.448 135 S N -0.878 114.912 115.700 0.151 0.000 2.608 135 S HA 0.356 4.826 4.470 -0.000 0.000 0.285 135 S C -0.324 174.370 174.600 0.156 0.000 1.108 135 S CA -0.883 57.412 58.200 0.159 0.000 0.858 135 S CB 0.071 63.422 63.200 0.252 0.000 1.077 135 S HN 0.284 nan 8.310 nan 0.000 0.450 136 Y N 0.427 120.832 120.300 0.176 0.000 2.465 136 Y HA -0.103 4.447 4.550 -0.000 0.000 0.289 136 Y C 2.042 178.087 175.900 0.241 0.000 1.150 136 Y CA 1.987 60.178 58.100 0.152 0.000 1.293 136 Y CB -0.479 38.029 38.460 0.079 0.000 0.977 136 Y HN 0.878 nan 8.280 nan 0.000 0.556 137 Y N 0.620 121.085 120.300 0.276 0.000 2.184 137 Y HA -0.251 4.299 4.550 -0.000 0.000 0.290 137 Y C 2.280 178.287 175.900 0.178 0.000 1.129 137 Y CA 1.783 60.001 58.100 0.198 0.000 1.144 137 Y CB -0.412 38.141 38.460 0.154 0.000 0.995 137 Y HN 0.090 nan 8.280 nan 0.000 0.513 138 Q N -1.431 118.639 119.800 0.450 0.000 2.119 138 Q HA -0.232 4.108 4.340 -0.000 0.000 0.201 138 Q C 1.985 178.173 176.000 0.313 0.000 0.972 138 Q CA 1.690 57.708 55.803 0.359 0.000 0.847 138 Q CB -0.421 28.555 28.738 0.396 0.000 0.903 138 Q HN 0.630 nan 8.270 nan 0.000 0.433 139 Y N 0.516 120.911 120.300 0.158 0.000 2.128 139 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 139 Y C 2.232 178.135 175.900 0.005 0.000 1.154 139 Y CA 1.880 60.010 58.100 0.050 0.000 1.149 139 Y CB -0.566 37.873 38.460 -0.035 0.000 0.976 139 Y HN 0.110 nan 8.280 nan 0.000 0.505 140 G N -0.503 108.364 108.800 0.112 0.000 2.422 140 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 140 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 140 G C 1.521 176.317 174.900 -0.172 0.000 1.140 140 G CA 0.957 45.996 45.100 -0.100 0.000 0.775 140 G HN 0.428 nan 8.290 nan 0.000 0.545 141 L N 1.346 122.483 121.223 -0.143 0.000 2.240 141 L HA 0.293 4.632 4.340 -0.000 0.000 0.211 141 L C 2.661 179.491 176.870 -0.067 0.000 1.106 141 L CA 1.788 56.553 54.840 -0.125 0.000 0.793 141 L CB -0.677 41.322 42.059 -0.100 0.000 0.927 141 L HN 0.131 nan 8.230 nan 0.000 0.446 142 G N -0.007 108.779 108.800 -0.024 0.000 2.414 142 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 142 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 142 G C 1.613 176.454 174.900 -0.099 0.000 1.188 142 G CA 1.111 46.207 45.100 -0.008 0.000 0.783 142 G HN 0.418 nan 8.290 nan 0.000 0.537 143 I N 0.336 120.792 120.570 -0.190 0.000 2.163 143 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 143 I C 2.635 178.659 176.117 -0.155 0.000 1.085 143 I CA 0.966 62.145 61.300 -0.200 0.000 1.347 143 I CB -0.278 37.573 38.000 -0.247 0.000 1.044 143 I HN 0.207 nan 8.210 nan 0.000 0.408 144 L N 1.263 122.400 121.223 -0.143 0.000 2.042 144 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 144 L C 2.548 179.369 176.870 -0.082 0.000 1.076 144 L CA 2.200 56.976 54.840 -0.107 0.000 0.749 144 L CB -0.853 41.148 42.059 -0.098 0.000 0.893 144 L HN 0.195 nan 8.230 nan 0.000 0.432 145 A N -0.165 122.612 122.820 -0.071 0.000 1.851 145 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 145 A C 2.263 179.860 177.584 0.020 0.000 1.195 145 A CA 2.281 54.303 52.037 -0.024 0.000 0.622 145 A CB -1.124 17.858 19.000 -0.029 0.000 0.831 145 A HN 0.523 nan 8.150 nan 0.000 0.444 146 L N -0.906 120.294 121.223 -0.038 0.000 2.083 146 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 146 L C 2.787 179.586 176.870 -0.118 0.000 1.083 146 L CA 1.228 56.038 54.840 -0.051 0.000 0.752 146 L CB -0.715 41.287 42.059 -0.094 0.000 0.899 146 L HN 0.680 nan 8.230 nan 0.000 0.433 147 c N 0.241 118.724 118.600 -0.194 0.000 2.422 147 c HA -0.120 4.450 4.570 -0.000 0.000 0.279 147 c C 2.597 176.617 174.090 -0.118 0.000 1.305 147 c CA 0.587 56.735 56.329 -0.303 0.000 1.757 147 c CB -0.760 41.627 42.510 -0.204 0.000 1.962 147 c HN 0.459 nan 8.230 nan 0.000 0.499 148 L N -0.903 120.293 121.223 -0.046 0.000 2.395 148 L HA 0.018 4.358 4.340 -0.000 0.000 0.218 148 L C 1.889 178.733 176.870 -0.043 0.000 1.130 148 L CA 0.872 55.677 54.840 -0.059 0.000 0.826 148 L CB -0.625 41.369 42.059 -0.109 0.000 0.941 148 L HN 0.490 nan 8.230 nan 0.000 0.451 149 H N 0.309 119.426 119.070 0.079 0.000 2.505 149 H HA 0.126 4.682 4.556 -0.000 0.000 0.289 149 H C 0.137 175.556 175.328 0.151 0.000 1.052 149 H CA -0.093 56.104 56.048 0.249 0.000 1.156 149 H CB 0.641 30.489 29.762 0.142 0.000 1.507 149 H HN 0.224 nan 8.280 nan 0.000 0.548 150 Q N 0.657 120.551 119.800 0.157 0.000 2.451 150 Q HA -0.174 4.166 4.340 -0.000 0.000 0.305 150 Q C -0.579 175.453 176.000 0.053 0.000 1.345 150 Q CA 0.788 56.687 55.803 0.160 0.000 0.854 150 Q CB -1.259 27.542 28.738 0.104 0.000 1.162 150 Q HN 0.421 nan 8.270 nan 0.000 0.440 151 K N 0.978 121.295 120.400 -0.138 0.000 2.376 151 K HA 0.462 4.782 4.320 -0.000 0.000 0.257 151 K C 0.538 176.931 176.600 -0.346 0.000 0.939 151 K CA -0.542 55.667 56.287 -0.130 0.000 0.809 151 K CB 1.790 34.259 32.500 -0.052 0.000 1.121 151 K HN 0.285 nan 8.250 nan 0.000 0.425 152 R N 0.074 120.451 120.500 -0.206 0.000 2.536 152 R HA 0.620 4.960 4.340 -0.000 0.000 0.279 152 R C 0.409 176.668 176.300 -0.068 0.000 1.001 152 R CA -0.957 55.026 56.100 -0.195 0.000 1.027 152 R CB 0.596 30.987 30.300 0.152 0.000 1.096 152 R HN 0.296 nan 8.270 nan 0.000 0.502 153 V N -2.150 117.732 119.914 -0.053 0.000 2.850 153 V HA 0.337 4.457 4.120 -0.000 0.000 0.315 153 V C 0.309 176.455 176.094 0.086 0.000 1.064 153 V CA -1.060 61.240 62.300 0.001 0.000 0.979 153 V CB 1.523 33.315 31.823 -0.052 0.000 1.039 153 V HN 0.867 nan 8.190 nan 0.000 0.452 154 H N 0.924 119.985 119.070 -0.014 0.000 2.771 154 H HA 0.068 4.624 4.556 -0.000 0.000 0.364 154 H C 0.468 175.808 175.328 0.020 0.000 1.133 154 H CA 0.596 56.647 56.048 0.004 0.000 1.423 154 H CB 1.377 31.132 29.762 -0.012 0.000 1.425 154 H HN 0.940 nan 8.280 nan 0.000 0.606 155 D N 1.589 121.746 120.400 -0.405 0.000 2.182 155 D HA -0.201 4.439 4.640 -0.000 0.000 0.201 155 D C 2.141 178.267 176.300 -0.291 0.000 0.986 155 D CA 1.865 55.688 54.000 -0.296 0.000 0.847 155 D CB 0.013 40.665 40.800 -0.247 0.000 0.942 155 D HN 0.553 nan 8.370 nan 0.000 0.467 156 S N -0.276 115.121 115.700 -0.506 0.000 2.419 156 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 156 S C 2.081 176.656 174.600 -0.041 0.000 1.016 156 S CA 0.700 58.780 58.200 -0.200 0.000 0.974 156 S CB -0.572 62.562 63.200 -0.110 0.000 0.786 156 S HN 0.142 nan 8.310 nan 0.000 0.492 157 V N 1.751 121.655 119.914 -0.018 0.000 2.323 157 V HA -0.093 4.027 4.120 -0.000 0.000 0.244 157 V C 2.636 178.808 176.094 0.130 0.000 1.041 157 V CA 1.451 63.788 62.300 0.061 0.000 1.025 157 V CB -0.830 30.977 31.823 -0.027 0.000 0.656 157 V HN 0.453 nan 8.190 nan 0.000 0.451 158 V N 0.203 120.161 119.914 0.073 0.000 2.407 158 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 158 V C 2.321 178.532 176.094 0.195 0.000 1.055 158 V CA 2.038 64.429 62.300 0.151 0.000 1.049 158 V CB -0.846 31.058 31.823 0.135 0.000 0.662 158 V HN 0.524 nan 8.190 nan 0.000 0.455 159 D N 0.350 120.813 120.400 0.106 0.000 2.133 159 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 159 D C 2.220 178.598 176.300 0.131 0.000 1.001 159 D CA 1.614 55.667 54.000 0.090 0.000 0.844 159 D CB -0.161 40.653 40.800 0.023 0.000 0.944 159 D HN 0.337 nan 8.370 nan 0.000 0.447 160 K N 0.129 120.611 120.400 0.136 0.000 2.097 160 K HA -0.058 4.261 4.320 -0.000 0.000 0.205 160 K C 1.900 178.584 176.600 0.140 0.000 1.050 160 K CA 0.150 56.487 56.287 0.083 0.000 0.938 160 K CB -0.498 31.975 32.500 -0.044 0.000 0.718 160 K HN 0.062 nan 8.250 nan 0.000 0.442 161 L N 0.456 121.866 121.223 0.312 0.000 2.072 161 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 161 L C 1.647 178.722 176.870 0.341 0.000 1.079 161 L CA 1.391 56.429 54.840 0.330 0.000 0.752 161 L CB -0.326 41.947 42.059 0.356 0.000 0.906 161 L HN 0.120 nan 8.230 nan 0.000 0.436 162 L N -1.845 119.593 121.223 0.359 0.000 2.013 162 L HA -0.301 4.038 4.340 -0.000 0.000 0.212 162 L C 2.462 179.357 176.870 0.043 0.000 1.073 162 L CA 1.882 56.824 54.840 0.170 0.000 0.753 162 L CB -0.836 41.263 42.059 0.067 0.000 0.890 162 L HN 0.296 nan 8.230 nan 0.000 0.432 163 Y N 0.185 120.437 120.300 -0.080 0.000 2.242 163 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 163 Y C 2.484 178.158 175.900 -0.377 0.000 1.137 163 Y CA 1.216 59.216 58.100 -0.166 0.000 1.181 163 Y CB -0.157 38.224 38.460 -0.131 0.000 0.989 163 Y HN 0.124 nan 8.280 nan 0.000 0.527 164 A N -0.965 121.567 122.820 -0.480 0.000 2.019 164 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 164 A C 2.257 179.482 177.584 -0.598 0.000 1.164 164 A CA 1.712 53.084 52.037 -1.109 0.000 0.644 164 A CB -1.176 16.942 19.000 -1.469 0.000 0.805 164 A HN 0.335 nan 8.150 nan 0.000 0.449 165 V N -0.079 119.695 119.914 -0.233 0.000 2.343 165 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 165 V C 2.258 178.326 176.094 -0.042 0.000 1.051 165 V CA 2.167 64.452 62.300 -0.026 0.000 1.036 165 V CB -0.808 31.027 31.823 0.020 0.000 0.654 165 V HN 0.642 nan 8.190 nan 0.000 0.451 166 E N 0.127 120.229 120.200 -0.164 0.000 1.983 166 E HA -0.161 4.189 4.350 -0.000 0.000 0.208 166 E C -0.621 175.965 176.600 -0.024 0.000 1.006 166 E CA 1.722 58.043 56.400 -0.131 0.000 0.872 166 E CB -1.195 28.356 29.700 -0.249 0.000 0.806 166 E HN 0.554 nan 8.360 nan 0.000 0.510 167 P HA 0.086 nan 4.420 nan 0.000 0.310 167 P C -0.062 177.383 177.300 0.242 0.000 1.399 167 P CA -0.252 62.918 63.100 0.117 0.000 0.849 167 P CB 0.072 31.841 31.700 0.115 0.000 2.098 168 F N -2.998 116.882 119.950 -0.115 0.000 2.180 168 F HA -0.260 4.267 4.527 -0.000 0.000 0.317 168 F C 0.372 176.121 175.800 -0.085 0.000 0.129 168 F CA 1.480 59.351 58.000 -0.216 0.000 0.910 168 F CB -2.368 36.298 39.000 -0.556 0.000 4.124 168 F HN 0.522 nan 8.300 nan 0.000 0.145 169 H N -0.519 118.691 119.070 0.234 0.000 3.643 169 H HA 0.043 4.599 4.556 -0.000 0.000 0.298 169 H C -0.075 175.325 175.328 0.120 0.000 0.802 169 H CA 0.835 56.982 56.048 0.165 0.000 0.890 169 H CB -0.689 29.152 29.762 0.132 0.000 1.436 169 H HN 0.519 nan 8.280 nan 0.000 0.324 170 Q N 2.579 122.518 119.800 0.233 0.000 3.394 170 Q HA 0.510 4.850 4.340 -0.000 0.000 0.285 170 Q C -0.070 176.034 176.000 0.174 0.000 0.866 170 Q CA -0.363 55.541 55.803 0.169 0.000 0.844 170 Q CB 1.432 30.243 28.738 0.121 0.000 1.472 170 Q HN 0.995 nan 8.270 nan 0.000 0.401 171 G N 1.324 110.225 108.800 0.168 0.000 2.326 171 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.478 171 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.478 171 G C 0.064 175.011 174.900 0.078 0.000 1.551 171 G CA -0.026 45.166 45.100 0.153 0.000 0.946 171 G HN 0.704 nan 8.290 nan 0.000 0.671 172 H N 0.143 119.245 119.070 0.053 0.000 2.365 172 H HA -0.399 4.157 4.556 -0.000 0.000 0.279 172 H C 1.801 177.111 175.328 -0.030 0.000 1.141 172 H CA 3.097 59.128 56.048 -0.028 0.000 1.135 172 H CB -0.737 28.955 29.762 -0.118 0.000 1.356 172 H HN 0.785 nan 8.280 nan 0.000 0.465 173 H N -0.406 118.314 119.070 -0.583 0.000 2.431 173 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 173 H C 2.669 177.994 175.328 -0.004 0.000 1.115 173 H CA 1.473 57.350 56.048 -0.285 0.000 1.277 173 H CB -0.240 29.328 29.762 -0.323 0.000 1.372 173 H HN 0.551 nan 8.280 nan 0.000 0.516 174 S N 0.018 115.809 115.700 0.151 0.000 2.372 174 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 174 S C 2.294 176.861 174.600 -0.056 0.000 1.044 174 S CA 1.620 59.877 58.200 0.095 0.000 1.050 174 S CB -0.584 62.687 63.200 0.119 0.000 0.901 174 S HN 0.251 nan 8.310 nan 0.000 0.447 175 V N 1.777 121.704 119.914 0.021 0.000 2.515 175 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 175 V C 1.997 178.118 176.094 0.044 0.000 1.058 175 V CA 2.216 64.532 62.300 0.028 0.000 1.064 175 V CB -0.954 30.934 31.823 0.108 0.000 0.675 175 V HN 0.530 nan 8.190 nan 0.000 0.461 176 D N -0.307 120.161 120.400 0.113 0.000 2.120 176 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 176 D C 2.263 178.712 176.300 0.248 0.000 0.972 176 D CA 1.555 55.679 54.000 0.207 0.000 0.837 176 D CB -0.494 40.460 40.800 0.257 0.000 0.989 176 D HN 0.339 nan 8.370 nan 0.000 0.469 177 T N 0.467 115.178 114.554 0.262 0.000 2.746 177 T HA -0.142 4.207 4.350 -0.000 0.000 0.267 177 T C 2.081 176.786 174.700 0.008 0.000 1.039 177 T CA 1.338 63.588 62.100 0.251 0.000 1.142 177 T CB -0.458 68.625 68.868 0.357 0.000 0.866 177 T HN 0.197 nan 8.240 nan 0.000 0.444 178 A N 1.751 124.481 122.820 -0.149 0.000 1.865 178 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 178 A C 2.713 180.108 177.584 -0.315 0.000 1.191 178 A CA 1.987 53.864 52.037 -0.267 0.000 0.623 178 A CB -1.300 17.507 19.000 -0.321 0.000 0.826 178 A HN 0.520 nan 8.150 nan 0.000 0.444 179 A N -1.224 121.449 122.820 -0.245 0.000 1.908 179 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 179 A C 2.201 179.664 177.584 -0.202 0.000 1.181 179 A CA 2.466 54.346 52.037 -0.261 0.000 0.627 179 A CB -0.522 18.449 19.000 -0.048 0.000 0.818 179 A HN 0.569 nan 8.150 nan 0.000 0.445 180 M N 0.233 119.738 119.600 -0.157 0.000 2.059 180 M HA -0.009 4.471 4.480 -0.000 0.000 0.259 180 M C 2.246 178.394 176.300 -0.254 0.000 1.072 180 M CA 1.879 57.038 55.300 -0.234 0.000 1.117 180 M CB -0.955 31.323 32.600 -0.537 0.000 1.320 180 M HN 0.377 nan 8.290 nan 0.000 0.408 181 A N -0.369 122.296 122.820 -0.258 0.000 1.892 181 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 181 A C 2.378 179.703 177.584 -0.430 0.000 1.188 181 A CA 2.187 54.006 52.037 -0.365 0.000 0.631 181 A CB -1.951 16.942 19.000 -0.179 0.000 0.822 181 A HN 0.663 nan 8.150 nan 0.000 0.447 182 G N -0.404 108.211 108.800 -0.308 0.000 2.446 182 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 182 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 182 G C 1.584 176.546 174.900 0.102 0.000 1.168 182 G CA 1.110 46.025 45.100 -0.308 0.000 0.771 182 G HN 0.448 nan 8.290 nan 0.000 0.551 183 L N 0.608 121.874 121.223 0.073 0.000 2.017 183 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 183 L C 3.466 180.372 176.870 0.060 0.000 1.073 183 L CA 1.016 55.959 54.840 0.173 0.000 0.745 183 L CB -0.462 41.674 42.059 0.128 0.000 0.894 183 L HN 0.317 nan 8.230 nan 0.000 0.432 184 A N 0.190 122.944 122.820 -0.109 0.000 1.873 184 A HA -0.262 4.057 4.320 -0.000 0.000 0.218 184 A C 2.011 179.550 177.584 -0.076 0.000 1.193 184 A CA 1.949 53.877 52.037 -0.182 0.000 0.629 184 A CB -0.928 17.839 19.000 -0.389 0.000 0.826 184 A HN 0.305 nan 8.150 nan 0.000 0.447 185 F N 0.635 120.620 119.950 0.059 0.000 2.102 185 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 185 F C 2.801 178.661 175.800 0.100 0.000 1.105 185 F CA 1.549 59.594 58.000 0.075 0.000 1.239 185 F CB -1.498 37.544 39.000 0.069 0.000 0.991 185 F HN 0.152 nan 8.300 nan 0.000 0.474 186 T N -0.562 114.181 114.554 0.314 0.000 2.624 186 T HA -0.337 4.012 4.350 -0.000 0.000 0.268 186 T C 2.279 177.076 174.700 0.161 0.000 1.041 186 T CA 1.767 63.997 62.100 0.216 0.000 1.159 186 T CB -1.151 67.832 68.868 0.191 0.000 0.863 186 T HN 0.512 nan 8.240 nan 0.000 0.434 187 c N 1.209 119.889 118.600 0.133 0.000 2.367 187 c HA -0.114 4.456 4.570 -0.000 0.000 0.276 187 c C 2.689 176.883 174.090 0.173 0.000 1.195 187 c CA 1.025 57.420 56.329 0.109 0.000 1.756 187 c CB -1.556 40.988 42.510 0.057 0.000 2.046 187 c HN 0.587 nan 8.230 nan 0.000 0.453 188 L N 0.684 122.025 121.223 0.197 0.000 2.042 188 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 188 L C 2.802 179.815 176.870 0.238 0.000 1.076 188 L CA 2.269 57.275 54.840 0.276 0.000 0.749 188 L CB -0.879 41.332 42.059 0.253 0.000 0.893 188 L HN 0.484 nan 8.230 nan 0.000 0.432 189 K N 0.627 121.140 120.400 0.188 0.000 2.097 189 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 189 K C 2.197 178.858 176.600 0.102 0.000 1.049 189 K CA 1.281 57.647 56.287 0.131 0.000 0.933 189 K CB 0.001 32.574 32.500 0.123 0.000 0.717 189 K HN 0.100 nan 8.250 nan 0.000 0.442 190 R N -0.361 120.207 120.500 0.114 0.000 2.323 190 R HA 0.055 4.395 4.340 -0.000 0.000 0.198 190 R C 0.308 176.658 176.300 0.083 0.000 0.988 190 R CA 0.677 56.834 56.100 0.095 0.000 1.041 190 R CB 0.285 30.642 30.300 0.095 0.000 0.926 190 R HN 0.040 nan 8.270 nan 0.000 0.476 191 S N -0.514 115.227 115.700 0.068 0.000 2.820 191 S HA 0.084 4.554 4.470 -0.000 0.000 0.265 191 S C -0.356 174.107 174.600 -0.228 0.000 1.043 191 S CA -0.487 57.673 58.200 -0.066 0.000 1.245 191 S CB 0.608 63.788 63.200 -0.034 0.000 1.187 191 S HN 0.404 nan 8.310 nan 0.000 0.673 192 N N 0.516 119.177 118.700 -0.065 0.000 2.738 192 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 192 N C -0.005 175.454 175.510 -0.085 0.000 1.047 192 N CA 0.332 53.347 53.050 -0.059 0.000 0.707 192 N CB -1.562 36.877 38.487 -0.080 0.000 0.937 192 N HN 0.349 nan 8.380 nan 0.000 0.545 193 F N 0.597 120.573 119.950 0.045 0.000 2.234 193 F HA 0.088 4.615 4.527 -0.000 0.000 0.296 193 F C 1.153 176.979 175.800 0.044 0.000 1.089 193 F CA 0.905 58.930 58.000 0.042 0.000 1.343 193 F CB 0.147 39.172 39.000 0.043 0.000 1.040 193 F HN 0.124 nan 8.300 nan 0.000 0.498 194 N N -0.050 118.787 118.700 0.228 0.000 2.898 194 N HA 0.205 4.945 4.740 -0.000 0.000 0.245 194 N C -2.168 173.395 175.510 0.088 0.000 1.185 194 N CA -1.236 51.901 53.050 0.144 0.000 0.879 194 N CB 0.994 39.557 38.487 0.127 0.000 1.157 194 N HN -0.138 nan 8.380 nan 0.000 0.503 195 P HA -0.112 nan 4.420 nan 0.000 0.215 195 P C 1.528 178.846 177.300 0.030 0.000 1.153 195 P CA 1.038 64.160 63.100 0.036 0.000 0.853 195 P CB 0.216 31.930 31.700 0.024 0.000 0.788 196 G N -0.574 108.246 108.800 0.032 0.000 2.564 196 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 196 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 196 G C 1.295 176.203 174.900 0.014 0.000 1.124 196 G CA 0.495 45.608 45.100 0.021 0.000 0.764 196 G HN 0.224 nan 8.290 nan 0.000 0.550 197 R N -0.869 119.643 120.500 0.020 0.000 2.572 197 R HA 0.234 4.574 4.340 -0.000 0.000 0.370 197 R C 1.722 178.025 176.300 0.006 0.000 1.005 197 R CA -0.264 55.842 56.100 0.010 0.000 1.146 197 R CB -0.151 30.161 30.300 0.019 0.000 1.390 197 R HN 0.403 nan 8.270 nan 0.000 0.553 198 R N 1.617 122.126 120.500 0.015 0.000 2.097 198 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 198 R C 1.272 177.569 176.300 -0.005 0.000 1.135 198 R CA 2.161 58.270 56.100 0.015 0.000 0.934 198 R CB 0.121 30.430 30.300 0.016 0.000 0.846 198 R HN 0.021 nan 8.270 nan 0.000 0.431 199 Q N -0.333 119.460 119.800 -0.010 0.000 2.124 199 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 199 Q C 2.141 178.117 176.000 -0.040 0.000 0.977 199 Q CA 1.872 57.663 55.803 -0.019 0.000 0.850 199 Q CB -0.155 28.574 28.738 -0.014 0.000 0.901 199 Q HN 0.251 nan 8.270 nan 0.000 0.429 200 R N 0.382 120.854 120.500 -0.047 0.000 2.075 200 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 200 R C 1.791 178.003 176.300 -0.147 0.000 1.126 200 R CA 1.232 57.286 56.100 -0.077 0.000 0.963 200 R CB -0.325 29.942 30.300 -0.056 0.000 0.858 200 R HN 0.269 nan 8.270 nan 0.000 0.435 201 I N -0.221 120.261 120.570 -0.146 0.000 2.179 201 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 201 I C 1.885 177.870 176.117 -0.221 0.000 1.088 201 I CA 1.728 62.873 61.300 -0.258 0.000 1.357 201 I CB -0.361 37.589 38.000 -0.084 0.000 1.051 201 I HN 0.245 nan 8.210 nan 0.000 0.409 202 T N 0.679 115.177 114.554 -0.093 0.000 2.720 202 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 202 T C 1.904 176.569 174.700 -0.059 0.000 1.037 202 T CA 1.560 63.634 62.100 -0.044 0.000 1.144 202 T CB -0.240 68.619 68.868 -0.015 0.000 0.864 202 T HN 0.225 nan 8.240 nan 0.000 0.444 203 M N 0.857 120.408 119.600 -0.082 0.000 2.080 203 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 203 M C 2.722 178.959 176.300 -0.106 0.000 1.068 203 M CA 1.847 57.100 55.300 -0.077 0.000 1.109 203 M CB -0.455 32.098 32.600 -0.077 0.000 1.342 203 M HN 0.330 nan 8.290 nan 0.000 0.405 204 A N 0.378 123.071 122.820 -0.211 0.000 1.908 204 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 204 A C 2.062 179.558 177.584 -0.146 0.000 1.181 204 A CA 1.713 53.581 52.037 -0.283 0.000 0.627 204 A CB -1.069 17.524 19.000 -0.677 0.000 0.818 204 A HN 0.514 nan 8.150 nan 0.000 0.445 205 I N -1.160 119.360 120.570 -0.083 0.000 2.208 205 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 205 I C 2.744 178.965 176.117 0.172 0.000 1.097 205 I CA 1.466 62.857 61.300 0.152 0.000 1.363 205 I CB -0.410 37.714 38.000 0.207 0.000 1.051 205 I HN 0.304 nan 8.210 nan 0.000 0.413 206 R N 0.747 121.292 120.500 0.074 0.000 2.120 206 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 206 R C 2.161 178.494 176.300 0.056 0.000 1.123 206 R CA 1.816 57.956 56.100 0.066 0.000 0.975 206 R CB -0.444 29.872 30.300 0.026 0.000 0.866 206 R HN 0.335 nan 8.270 nan 0.000 0.446 207 T N 0.398 114.963 114.554 0.019 0.000 2.777 207 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 207 T C 1.927 176.638 174.700 0.018 0.000 1.040 207 T CA 1.247 63.349 62.100 0.004 0.000 1.141 207 T CB -0.131 68.715 68.868 -0.035 0.000 0.868 207 T HN -0.000 nan 8.240 nan 0.000 0.444 208 V N 2.940 122.864 119.914 0.017 0.000 2.295 208 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 208 V C 2.744 178.851 176.094 0.021 0.000 1.049 208 V CA 1.968 64.233 62.300 -0.059 0.000 1.024 208 V CB -0.685 30.991 31.823 -0.245 0.000 0.648 208 V HN 0.552 nan 8.190 nan 0.000 0.447 209 R N 0.538 121.165 120.500 0.212 0.000 2.120 209 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 209 R C 1.916 178.306 176.300 0.150 0.000 1.123 209 R CA 1.808 58.078 56.100 0.283 0.000 0.975 209 R CB -0.538 29.939 30.300 0.295 0.000 0.866 209 R HN 0.546 nan 8.270 nan 0.000 0.446 210 E N 1.345 121.608 120.200 0.105 0.000 2.017 210 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 210 E C 1.986 178.634 176.600 0.080 0.000 0.997 210 E CA 1.283 57.733 56.400 0.082 0.000 0.804 210 E CB -0.091 29.643 29.700 0.057 0.000 0.757 210 E HN 0.430 nan 8.360 nan 0.000 0.448 211 E N 0.447 120.679 120.200 0.054 0.000 2.086 211 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 211 E C 2.137 178.776 176.600 0.065 0.000 1.012 211 E CA 1.229 57.653 56.400 0.040 0.000 0.812 211 E CB -0.113 29.582 29.700 -0.009 0.000 0.743 211 E HN 0.258 nan 8.360 nan 0.000 0.453 212 I N 0.150 120.761 120.570 0.068 0.000 2.162 212 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 212 I C 2.478 178.759 176.117 0.274 0.000 1.076 212 I CA 0.481 61.853 61.300 0.119 0.000 1.353 212 I CB -0.154 37.862 38.000 0.027 0.000 1.063 212 I HN 0.130 nan 8.210 nan 0.000 0.408 213 L N 1.247 122.621 121.223 0.251 0.000 2.191 213 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 213 L C 2.451 179.468 176.870 0.244 0.000 1.103 213 L CA 1.752 56.804 54.840 0.354 0.000 0.769 213 L CB -0.634 41.566 42.059 0.236 0.000 0.908 213 L HN 0.145 nan 8.230 nan 0.000 0.438 214 K N -0.443 120.056 120.400 0.166 0.000 2.097 214 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 214 K C 1.526 178.190 176.600 0.107 0.000 1.050 214 K CA 1.159 57.513 56.287 0.111 0.000 0.938 214 K CB -0.152 32.400 32.500 0.086 0.000 0.718 214 K HN 0.324 nan 8.250 nan 0.000 0.442 215 A N 1.528 124.437 122.820 0.148 0.000 2.310 215 A HA -0.006 4.314 4.320 -0.000 0.000 0.230 215 A C 0.311 177.958 177.584 0.106 0.000 1.294 215 A CA -0.137 51.979 52.037 0.132 0.000 0.898 215 A CB -0.369 18.721 19.000 0.149 0.000 0.917 215 A HN 0.482 nan 8.150 nan 0.000 0.491 216 Q N 1.831 121.650 119.800 0.032 0.000 2.323 216 Q HA 0.260 4.600 4.340 -0.000 0.000 0.257 216 Q C 0.426 176.354 176.000 -0.120 0.000 1.022 216 Q CA -0.120 55.568 55.803 -0.191 0.000 0.919 216 Q CB 0.408 28.904 28.738 -0.403 0.000 1.220 216 Q HN 0.546 nan 8.270 nan 0.000 0.427 217 T N 1.581 116.079 114.554 -0.093 0.000 2.856 217 T HA 0.165 4.515 4.350 -0.000 0.000 0.306 217 T C -1.782 172.872 174.700 -0.077 0.000 1.062 217 T CA -1.380 60.692 62.100 -0.047 0.000 1.083 217 T CB 0.650 69.517 68.868 -0.001 0.000 0.984 217 T HN 0.472 nan 8.240 nan 0.000 0.542 218 P HA -0.022 nan 4.420 nan 0.000 0.223 218 P C 1.003 178.264 177.300 -0.066 0.000 1.144 218 P CA 0.745 63.813 63.100 -0.053 0.000 0.783 218 P CB 0.029 31.712 31.700 -0.029 0.000 0.771 219 E N -1.366 118.796 120.200 -0.064 0.000 2.152 219 E HA 0.075 4.425 4.350 -0.000 0.000 0.192 219 E C 1.744 178.235 176.600 -0.182 0.000 0.983 219 E CA 1.372 57.720 56.400 -0.088 0.000 0.818 219 E CB -0.686 28.997 29.700 -0.028 0.000 0.758 219 E HN 0.265 nan 8.360 nan 0.000 0.467 220 G N -0.951 107.722 108.800 -0.212 0.000 2.296 220 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.188 220 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.188 220 G C 0.031 174.695 174.900 -0.393 0.000 1.000 220 G CA -0.317 44.606 45.100 -0.295 0.000 0.672 220 G HN 0.210 nan 8.290 nan 0.000 0.483 221 H N -0.467 118.480 119.070 -0.205 0.000 2.679 221 H HA 0.482 5.038 4.556 -0.000 0.000 0.369 221 H C -0.262 174.887 175.328 -0.299 0.000 1.178 221 H CA 0.032 55.979 56.048 -0.167 0.000 1.419 221 H CB 0.353 30.076 29.762 -0.066 0.000 1.458 221 H HN 0.075 nan 8.280 nan 0.000 0.605 222 F N 0.648 120.714 119.950 0.194 0.000 2.313 222 F HA 0.265 4.792 4.527 -0.000 0.000 0.369 222 F C 1.397 177.254 175.800 0.095 0.000 1.109 222 F CA 0.597 58.669 58.000 0.121 0.000 1.132 222 F CB 0.852 39.919 39.000 0.113 0.000 1.291 222 F HN 0.851 nan 8.300 nan 0.000 0.496 223 G N 3.188 112.105 108.800 0.196 0.000 5.229 223 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.250 223 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.250 223 G C 0.087 175.027 174.900 0.067 0.000 1.380 223 G CA 0.664 45.847 45.100 0.138 0.000 0.933 223 G HN 0.854 nan 8.290 nan 0.000 0.731 224 N N -1.544 117.166 118.700 0.018 0.000 3.204 224 N HA 0.561 5.301 4.740 -0.000 0.000 0.285 224 N C 0.702 175.988 175.510 -0.373 0.000 1.536 224 N CA 0.507 53.459 53.050 -0.165 0.000 0.832 224 N CB 1.090 39.458 38.487 -0.200 0.000 1.645 224 N HN 0.957 nan 8.380 nan 0.000 0.586 225 V N -0.314 119.125 119.914 -0.791 0.000 2.407 225 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 225 V C 0.804 176.577 176.094 -0.535 0.000 1.055 225 V CA 1.637 63.297 62.300 -1.068 0.000 1.049 225 V CB -0.879 30.236 31.823 -1.179 0.000 0.662 225 V HN 0.604 nan 8.190 nan 0.000 0.455 226 Y N -0.359 119.809 120.300 -0.221 0.000 2.511 226 Y HA 0.209 4.759 4.550 -0.000 0.000 0.279 226 Y C 2.532 178.450 175.900 0.029 0.000 1.157 226 Y CA 0.749 58.784 58.100 -0.108 0.000 1.300 226 Y CB -0.227 38.124 38.460 -0.181 0.000 1.052 226 Y HN 0.221 nan 8.280 nan 0.000 0.529 227 S N -1.300 114.487 115.700 0.145 0.000 2.503 227 S HA -0.058 4.412 4.470 -0.000 0.000 0.217 227 S C 1.924 176.644 174.600 0.200 0.000 0.999 227 S CA 0.846 59.151 58.200 0.174 0.000 0.914 227 S CB -0.115 63.183 63.200 0.164 0.000 0.782 227 S HN 0.422 nan 8.310 nan 0.000 0.520 228 T N 3.181 117.873 114.554 0.231 0.000 2.737 228 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 228 T C -0.794 174.042 174.700 0.227 0.000 1.038 228 T CA 1.125 63.418 62.100 0.322 0.000 1.144 228 T CB -1.383 67.750 68.868 0.442 0.000 0.866 228 T HN 0.312 nan 8.240 nan 0.000 0.434 229 P HA -0.042 nan 4.420 nan 0.000 0.214 229 P C 1.620 178.951 177.300 0.050 0.000 1.163 229 P CA 0.617 63.788 63.100 0.117 0.000 0.883 229 P CB -0.157 31.632 31.700 0.149 0.000 0.788 230 L N -0.877 120.393 121.223 0.079 0.000 2.131 230 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 230 L C 2.236 179.129 176.870 0.038 0.000 1.092 230 L CA 1.735 56.602 54.840 0.045 0.000 0.759 230 L CB -1.562 40.572 42.059 0.125 0.000 0.903 230 L HN -0.129 nan 8.230 nan 0.000 0.435 231 A N -0.632 122.208 122.820 0.032 0.000 1.845 231 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 231 A C 2.254 179.769 177.584 -0.115 0.000 1.195 231 A CA 1.957 53.959 52.037 -0.058 0.000 0.616 231 A CB -0.930 17.976 19.000 -0.157 0.000 0.832 231 A HN 0.409 nan 8.150 nan 0.000 0.443 232 L N -0.946 120.200 121.223 -0.128 0.000 2.043 232 L HA -0.311 4.029 4.340 -0.000 0.000 0.212 232 L C 2.921 179.745 176.870 -0.076 0.000 1.075 232 L CA 2.017 56.794 54.840 -0.106 0.000 0.752 232 L CB -0.561 41.493 42.059 -0.009 0.000 0.891 232 L HN 0.581 nan 8.230 nan 0.000 0.432 233 Q N -0.479 119.285 119.800 -0.059 0.000 2.077 233 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 233 Q C 2.145 178.124 176.000 -0.034 0.000 0.989 233 Q CA 2.437 58.189 55.803 -0.084 0.000 0.853 233 Q CB -0.262 28.376 28.738 -0.167 0.000 0.907 233 Q HN 0.455 nan 8.270 nan 0.000 0.418 234 F N 0.333 120.217 119.950 -0.110 0.000 2.102 234 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 234 F C 1.538 177.293 175.800 -0.075 0.000 1.105 234 F CA 1.299 59.253 58.000 -0.077 0.000 1.239 234 F CB -0.212 38.745 39.000 -0.071 0.000 0.991 234 F HN 0.060 nan 8.300 nan 0.000 0.474 235 L N -0.041 120.989 121.223 -0.321 0.000 2.362 235 L HA -0.151 4.189 4.340 -0.000 0.000 0.219 235 L C 1.942 178.633 176.870 -0.298 0.000 1.134 235 L CA 0.807 55.403 54.840 -0.407 0.000 0.807 235 L CB -0.563 41.355 42.059 -0.234 0.000 0.927 235 L HN 0.253 nan 8.230 nan 0.000 0.447 236 M N -0.697 118.776 119.600 -0.211 0.000 2.639 236 M HA -0.013 4.467 4.480 -0.000 0.000 0.220 236 M C 1.455 177.672 176.300 -0.139 0.000 1.155 236 M CA 0.645 55.866 55.300 -0.131 0.000 1.003 236 M CB -0.251 32.307 32.600 -0.069 0.000 1.725 236 M HN 0.319 nan 8.290 nan 0.000 0.489 237 T N -5.120 109.295 114.554 -0.232 0.000 3.019 237 T HA 0.168 4.518 4.350 -0.000 0.000 0.247 237 T C 0.874 175.460 174.700 -0.191 0.000 0.992 237 T CA -0.212 61.781 62.100 -0.180 0.000 1.036 237 T CB 0.027 68.798 68.868 -0.161 0.000 1.063 237 T HN 0.072 nan 8.240 nan 0.000 0.476 238 S N 4.425 119.939 115.700 -0.310 0.000 2.571 238 S HA 0.213 4.683 4.470 -0.000 0.000 0.297 238 S C -1.631 172.897 174.600 -0.120 0.000 1.234 238 S CA -0.621 57.446 58.200 -0.223 0.000 1.120 238 S CB 0.761 63.794 63.200 -0.278 0.000 0.923 238 S HN 0.458 nan 8.310 nan 0.000 0.504 239 P HA 0.145 nan 4.420 nan 0.000 0.261 239 P C -0.112 177.170 177.300 -0.031 0.000 1.352 239 P CA 0.002 63.075 63.100 -0.045 0.000 0.891 239 P CB 0.213 31.896 31.700 -0.028 0.000 1.383 240 M N 1.941 121.522 119.600 -0.032 0.000 2.077 240 M HA 0.291 4.771 4.480 -0.000 0.000 0.348 240 M C -2.213 174.079 176.300 -0.013 0.000 1.252 240 M CA -2.221 53.069 55.300 -0.017 0.000 1.096 240 M CB 1.154 33.748 32.600 -0.009 0.000 1.568 240 M HN -0.152 nan 8.290 nan 0.000 0.456 241 P HA 0.583 nan 4.420 nan 0.000 0.322 241 P C 0.585 177.886 177.300 0.002 0.000 1.414 241 P CA 0.712 63.809 63.100 -0.005 0.000 0.876 241 P CB 0.367 32.063 31.700 -0.006 0.000 2.176 242 G N -1.033 107.768 108.800 0.002 0.000 4.024 242 G HA2 0.002 3.962 3.960 -0.000 0.000 0.206 242 G HA3 0.002 3.962 3.960 -0.000 0.000 0.206 242 G C 0.680 175.584 174.900 0.007 0.000 1.608 242 G CA 1.024 46.127 45.100 0.006 0.000 1.221 242 G HN 0.967 nan 8.290 nan 0.000 0.623 243 A N -2.466 120.361 122.820 0.011 0.000 2.011 243 A HA 0.348 4.668 4.320 -0.000 0.000 0.183 243 A C 1.431 179.027 177.584 0.021 0.000 2.000 243 A CA 1.396 53.441 52.037 0.013 0.000 1.623 243 A CB -0.945 18.062 19.000 0.012 0.000 1.510 243 A HN 0.539 nan 8.150 nan 0.000 0.297 244 E N 1.012 121.228 120.200 0.026 0.000 2.164 244 E HA -0.306 4.044 4.350 -0.000 0.000 0.233 244 E C 1.910 178.542 176.600 0.053 0.000 1.073 244 E CA 2.082 58.506 56.400 0.040 0.000 0.941 244 E CB -0.710 29.016 29.700 0.043 0.000 0.820 244 E HN 0.691 nan 8.360 nan 0.000 0.486 245 L N 0.133 121.384 121.223 0.048 0.000 1.989 245 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 245 L C 2.629 179.533 176.870 0.056 0.000 1.071 245 L CA 1.506 56.379 54.840 0.056 0.000 0.749 245 L CB -1.237 40.834 42.059 0.020 0.000 0.890 245 L HN 0.286 nan 8.230 nan 0.000 0.431 246 G N 0.347 109.167 108.800 0.034 0.000 2.766 246 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.222 246 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.222 246 G C 1.589 176.510 174.900 0.035 0.000 1.225 246 G CA 2.281 47.397 45.100 0.028 0.000 0.784 246 G HN 0.481 nan 8.290 nan 0.000 0.631 247 T N -0.514 114.059 114.554 0.032 0.000 2.812 247 T HA 0.252 4.602 4.350 -0.000 0.000 0.264 247 T C 2.620 177.339 174.700 0.032 0.000 1.042 247 T CA 1.960 64.074 62.100 0.024 0.000 1.140 247 T CB -0.517 68.359 68.868 0.013 0.000 0.870 247 T HN 0.538 nan 8.240 nan 0.000 0.445 248 A N 0.457 123.312 122.820 0.058 0.000 1.902 248 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 248 A C 2.773 180.449 177.584 0.154 0.000 1.181 248 A CA 1.473 53.560 52.037 0.083 0.000 0.623 248 A CB -1.516 17.576 19.000 0.154 0.000 0.818 248 A HN 0.655 nan 8.150 nan 0.000 0.443 249 c N -1.541 117.168 118.600 0.182 0.000 2.446 249 c HA 0.028 4.598 4.570 -0.000 0.000 0.277 249 c C 2.499 176.660 174.090 0.118 0.000 1.275 249 c CA 1.151 57.597 56.329 0.195 0.000 1.727 249 c CB -1.290 41.289 42.510 0.115 0.000 2.010 249 c HN 0.585 nan 8.230 nan 0.000 0.486 250 L N 0.890 122.153 121.223 0.066 0.000 2.217 250 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 250 L C 2.433 179.309 176.870 0.010 0.000 1.107 250 L CA 1.626 56.487 54.840 0.035 0.000 0.783 250 L CB -0.702 41.370 42.059 0.022 0.000 0.919 250 L HN 0.308 nan 8.230 nan 0.000 0.442 251 K N -0.843 119.553 120.400 -0.005 0.000 2.062 251 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 251 K C 2.065 178.611 176.600 -0.089 0.000 1.051 251 K CA 1.094 57.346 56.287 -0.057 0.000 0.941 251 K CB -0.116 32.333 32.500 -0.086 0.000 0.719 251 K HN 0.329 nan 8.250 nan 0.000 0.440 252 A N 1.924 124.712 122.820 -0.054 0.000 1.948 252 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 252 A C 2.130 179.703 177.584 -0.019 0.000 1.177 252 A CA 1.665 53.683 52.037 -0.032 0.000 0.636 252 A CB -0.662 18.482 19.000 0.240 0.000 0.815 252 A HN 0.379 nan 8.150 nan 0.000 0.449 253 R N -0.179 120.329 120.500 0.014 0.000 2.083 253 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 253 R C 1.978 178.264 176.300 -0.024 0.000 1.137 253 R CA 2.165 58.270 56.100 0.008 0.000 0.951 253 R CB -0.582 29.728 30.300 0.016 0.000 0.851 253 R HN 0.349 nan 8.270 nan 0.000 0.434 254 V N 1.211 121.096 119.914 -0.048 0.000 2.233 254 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 254 V C 2.630 178.664 176.094 -0.100 0.000 1.050 254 V CA 2.031 64.294 62.300 -0.060 0.000 1.010 254 V CB -1.120 30.665 31.823 -0.063 0.000 0.637 254 V HN 0.556 nan 8.190 nan 0.000 0.444 255 A N -0.539 122.157 122.820 -0.206 0.000 1.917 255 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 255 A C 2.306 179.727 177.584 -0.273 0.000 1.182 255 A CA 2.374 54.166 52.037 -0.409 0.000 0.633 255 A CB -0.607 17.872 19.000 -0.867 0.000 0.819 255 A HN 0.497 nan 8.150 nan 0.000 0.448 256 L N -0.993 120.171 121.223 -0.100 0.000 2.023 256 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 256 L C 2.545 179.480 176.870 0.108 0.000 1.073 256 L CA 1.171 56.096 54.840 0.142 0.000 0.745 256 L CB -0.254 41.876 42.059 0.117 0.000 0.900 256 L HN 0.467 nan 8.230 nan 0.000 0.435 257 L N -0.396 120.849 121.223 0.037 0.000 2.051 257 L HA -0.300 4.040 4.340 -0.000 0.000 0.214 257 L C 2.661 179.560 176.870 0.048 0.000 1.076 257 L CA 1.860 56.719 54.840 0.032 0.000 0.758 257 L CB -0.542 41.523 42.059 0.010 0.000 0.890 257 L HN 0.400 nan 8.230 nan 0.000 0.433 258 A N -0.947 121.895 122.820 0.035 0.000 1.865 258 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 258 A C 2.343 179.974 177.584 0.079 0.000 1.191 258 A CA 2.159 54.221 52.037 0.041 0.000 0.623 258 A CB -0.753 18.256 19.000 0.014 0.000 0.826 258 A HN 0.530 nan 8.150 nan 0.000 0.444 259 S N -0.583 115.194 115.700 0.128 0.000 2.402 259 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 259 S C 1.769 176.484 174.600 0.193 0.000 1.021 259 S CA 1.204 59.495 58.200 0.152 0.000 0.974 259 S CB -0.314 63.007 63.200 0.201 0.000 0.800 259 S HN 0.368 nan 8.310 nan 0.000 0.484 260 L N 2.513 123.865 121.223 0.215 0.000 2.027 260 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 260 L C 2.361 179.318 176.870 0.146 0.000 1.074 260 L CA 1.715 56.682 54.840 0.212 0.000 0.745 260 L CB -0.885 41.237 42.059 0.106 0.000 0.898 260 L HN 0.431 nan 8.230 nan 0.000 0.433 261 Q N -1.928 117.933 119.800 0.102 0.000 2.466 261 Q HA -0.118 4.222 4.340 -0.000 0.000 0.210 261 Q C 0.683 176.728 176.000 0.075 0.000 0.961 261 Q CA 0.857 56.708 55.803 0.080 0.000 0.953 261 Q CB -0.209 28.564 28.738 0.057 0.000 1.011 261 Q HN 0.496 nan 8.270 nan 0.000 0.516 262 D N 0.113 120.565 120.400 0.086 0.000 2.417 262 D HA 0.092 4.732 4.640 -0.000 0.000 0.207 262 D C 0.692 177.035 176.300 0.072 0.000 1.075 262 D CA 0.774 54.814 54.000 0.067 0.000 0.851 262 D CB 0.650 41.483 40.800 0.054 0.000 0.976 262 D HN 0.483 nan 8.370 nan 0.000 0.505 263 G N 0.907 109.770 108.800 0.105 0.000 2.131 263 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.223 263 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.223 263 G C 1.120 176.075 174.900 0.091 0.000 0.990 263 G CA 0.497 45.661 45.100 0.107 0.000 0.671 263 G HN 0.425 nan 8.290 nan 0.000 0.521 264 A N -0.707 122.169 122.820 0.094 0.000 2.125 264 A HA 0.420 4.740 4.320 -0.000 0.000 0.219 264 A C 0.969 178.526 177.584 -0.046 0.000 1.156 264 A CA 1.102 53.132 52.037 -0.013 0.000 0.671 264 A CB -0.215 18.680 19.000 -0.176 0.000 0.794 264 A HN 0.748 nan 8.150 nan 0.000 0.459 265 F N 0.164 120.177 119.950 0.105 0.000 2.441 265 F HA 0.261 4.788 4.527 -0.000 0.000 0.337 265 F C 1.387 177.140 175.800 -0.079 0.000 1.182 265 F CA -0.393 57.662 58.000 0.092 0.000 1.279 265 F CB 0.865 39.912 39.000 0.078 0.000 1.614 265 F HN 0.129 nan 8.300 nan 0.000 0.574 266 Q N 0.195 119.987 119.800 -0.014 0.000 2.204 266 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 266 Q C 0.810 176.765 176.000 -0.076 0.000 0.946 266 Q CA 0.405 56.114 55.803 -0.156 0.000 0.859 266 Q CB -0.046 28.651 28.738 -0.069 0.000 0.946 266 Q HN 0.482 nan 8.270 nan 0.000 0.474 267 N N 0.688 119.367 118.700 -0.035 0.000 2.468 267 N HA 0.054 4.794 4.740 -0.000 0.000 0.265 267 N C 0.714 176.233 175.510 0.014 0.000 1.199 267 N CA 0.349 53.385 53.050 -0.023 0.000 0.928 267 N CB 1.182 39.596 38.487 -0.121 0.000 1.059 267 N HN 0.054 nan 8.380 nan 0.000 0.467 268 A N 4.485 127.298 122.820 -0.012 0.000 1.908 268 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 268 A C 2.024 179.564 177.584 -0.074 0.000 1.181 268 A CA 1.117 53.109 52.037 -0.075 0.000 0.627 268 A CB -0.528 18.198 19.000 -0.457 0.000 0.818 268 A HN 0.752 nan 8.150 nan 0.000 0.445 269 L N -1.106 120.056 121.223 -0.102 0.000 2.046 269 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 269 L C 2.314 179.210 176.870 0.044 0.000 1.077 269 L CA 2.017 56.833 54.840 -0.040 0.000 0.747 269 L CB -0.395 41.628 42.059 -0.060 0.000 0.896 269 L HN 0.299 nan 8.230 nan 0.000 0.432 270 M N -0.894 118.743 119.600 0.062 0.000 2.229 270 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 270 M C 2.359 178.830 176.300 0.285 0.000 1.063 270 M CA 1.549 56.966 55.300 0.196 0.000 1.114 270 M CB -0.863 31.843 32.600 0.178 0.000 1.387 270 M HN 0.313 nan 8.290 nan 0.000 0.420 271 I N 0.206 120.897 120.570 0.202 0.000 2.252 271 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 271 I C 2.388 178.535 176.117 0.050 0.000 1.102 271 I CA 1.501 62.872 61.300 0.118 0.000 1.385 271 I CB -0.394 37.670 38.000 0.107 0.000 1.064 271 I HN 0.310 nan 8.210 nan 0.000 0.414 272 S N -0.204 115.533 115.700 0.061 0.000 2.515 272 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 272 S C 1.750 176.400 174.600 0.084 0.000 0.987 272 S CA 0.536 58.770 58.200 0.057 0.000 0.936 272 S CB -0.211 63.024 63.200 0.059 0.000 0.766 272 S HN 0.511 nan 8.310 nan 0.000 0.528 273 Q N -0.342 119.512 119.800 0.089 0.000 2.376 273 Q HA 0.270 4.610 4.340 -0.000 0.000 0.206 273 Q C 1.830 177.821 176.000 -0.015 0.000 0.921 273 Q CA 0.404 56.247 55.803 0.067 0.000 0.911 273 Q CB -0.032 28.785 28.738 0.131 0.000 1.032 273 Q HN 0.546 nan 8.270 nan 0.000 0.510 274 L N -0.013 121.191 121.223 -0.032 0.000 2.253 274 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 274 L C 1.854 178.639 176.870 -0.141 0.000 1.078 274 L CA 1.105 55.865 54.840 -0.133 0.000 0.805 274 L CB -0.252 41.599 42.059 -0.347 0.000 0.963 274 L HN 0.102 nan 8.230 nan 0.000 0.459 275 L N 0.239 121.397 121.223 -0.108 0.000 2.013 275 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 275 L C -0.225 176.582 176.870 -0.104 0.000 1.073 275 L CA 1.736 56.516 54.840 -0.100 0.000 0.753 275 L CB -1.780 40.241 42.059 -0.064 0.000 0.890 275 L HN 0.278 nan 8.230 nan 0.000 0.432 276 P HA -0.135 nan 4.420 nan 0.000 0.215 276 P C 1.953 179.180 177.300 -0.121 0.000 1.157 276 P CA 1.149 64.195 63.100 -0.091 0.000 0.868 276 P CB 0.028 31.672 31.700 -0.094 0.000 0.788 277 V N -0.105 119.729 119.914 -0.133 0.000 2.282 277 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 277 V C 2.448 178.444 176.094 -0.163 0.000 1.057 277 V CA 1.689 63.915 62.300 -0.123 0.000 1.032 277 V CB -1.369 30.393 31.823 -0.101 0.000 0.645 277 V HN 0.099 nan 8.190 nan 0.000 0.447 278 L N 0.166 121.281 121.223 -0.180 0.000 2.447 278 L HA -0.152 4.188 4.340 -0.000 0.000 0.225 278 L C 1.681 178.336 176.870 -0.358 0.000 1.148 278 L CA 1.432 56.139 54.840 -0.221 0.000 0.808 278 L CB -0.487 41.467 42.059 -0.176 0.000 0.928 278 L HN 0.444 nan 8.230 nan 0.000 0.448 279 N N -0.918 117.572 118.700 -0.350 0.000 2.282 279 N HA 0.023 4.763 4.740 -0.000 0.000 0.240 279 N C -0.116 175.152 175.510 -0.404 0.000 1.182 279 N CA -0.313 52.493 53.050 -0.405 0.000 0.874 279 N CB -0.172 38.212 38.487 -0.170 0.000 1.126 279 N HN 0.246 nan 8.380 nan 0.000 0.516 280 H N -1.148 117.902 119.070 -0.034 0.000 2.713 280 H HA -0.173 4.383 4.556 -0.000 0.000 0.311 280 H C -0.617 174.692 175.328 -0.031 0.000 1.175 280 H CA 0.777 56.806 56.048 -0.032 0.000 1.143 280 H CB -1.457 28.291 29.762 -0.024 0.000 1.434 280 H HN 0.136 nan 8.280 nan 0.000 0.418 281 K N 0.975 121.373 120.400 -0.005 0.000 2.318 281 K HA 0.644 4.963 4.320 -0.000 0.000 0.249 281 K C 0.538 177.112 176.600 -0.044 0.000 0.942 281 K CA -0.057 56.227 56.287 -0.005 0.000 0.808 281 K CB 2.517 35.011 32.500 -0.011 0.000 1.189 281 K HN 0.329 nan 8.250 nan 0.000 0.428 282 T N -2.490 112.047 114.554 -0.027 0.000 2.858 282 T HA 0.350 4.700 4.350 -0.000 0.000 0.285 282 T C 0.686 175.404 174.700 0.030 0.000 1.052 282 T CA -0.525 61.531 62.100 -0.074 0.000 1.009 282 T CB 0.332 69.171 68.868 -0.048 0.000 1.241 282 T HN 0.351 nan 8.240 nan 0.000 0.542 283 Y N -0.074 120.227 120.300 0.002 0.000 2.509 283 Y HA 0.172 4.721 4.550 -0.000 0.000 0.293 283 Y C 2.146 178.031 175.900 -0.025 0.000 1.133 283 Y CA -0.503 57.590 58.100 -0.012 0.000 1.283 283 Y CB -0.731 37.725 38.460 -0.007 0.000 1.001 283 Y HN 0.444 nan 8.280 nan 0.000 0.555 284 I N -0.116 120.528 120.570 0.124 0.000 2.546 284 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 284 I C 1.468 177.600 176.117 0.026 0.000 1.163 284 I CA 1.039 62.373 61.300 0.057 0.000 1.457 284 I CB -0.838 37.192 38.000 0.049 0.000 1.092 284 I HN 0.202 nan 8.210 nan 0.000 0.434 285 D N 0.748 121.176 120.400 0.046 0.000 2.378 285 D HA -0.088 4.552 4.640 -0.000 0.000 0.222 285 D C 2.002 178.310 176.300 0.013 0.000 0.980 285 D CA 0.632 54.658 54.000 0.044 0.000 0.907 285 D CB 0.260 41.090 40.800 0.051 0.000 0.899 285 D HN 0.358 nan 8.370 nan 0.000 0.527 286 L N 0.403 121.620 121.223 -0.010 0.000 2.599 286 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 286 L C 2.173 178.940 176.870 -0.171 0.000 1.141 286 L CA -0.066 54.729 54.840 -0.076 0.000 0.877 286 L CB 0.025 42.041 42.059 -0.071 0.000 1.009 286 L HN -0.015 nan 8.230 nan 0.000 0.447 287 I N -0.777 119.664 120.570 -0.214 0.000 2.235 287 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 287 I C 0.341 176.098 176.117 -0.600 0.000 1.085 287 I CA 1.459 62.483 61.300 -0.460 0.000 1.378 287 I CB 0.117 37.751 38.000 -0.609 0.000 1.076 287 I HN 0.076 nan 8.210 nan 0.000 0.415 288 F N 2.513 122.468 119.950 0.008 0.000 2.449 288 F HA 0.360 4.887 4.527 -0.000 0.000 0.344 288 F C -2.254 173.538 175.800 -0.013 0.000 1.180 288 F CA -2.164 55.838 58.000 0.003 0.000 1.209 288 F CB 0.165 39.176 39.000 0.019 0.000 1.440 288 F HN -0.097 nan 8.300 nan 0.000 0.526 289 P HA 0.090 nan 4.420 nan 0.000 0.277 289 P C -0.899 176.428 177.300 0.044 0.000 1.240 289 P CA -0.223 62.898 63.100 0.035 0.000 0.798 289 P CB 1.528 33.210 31.700 -0.030 0.000 0.979 290 D N 1.567 121.986 120.400 0.032 0.000 2.443 290 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 290 D C 0.324 176.629 176.300 0.009 0.000 1.097 290 D CA -0.431 53.583 54.000 0.025 0.000 0.865 290 D CB 0.137 40.953 40.800 0.025 0.000 1.034 290 D HN 0.174 nan 8.370 nan 0.000 0.511 291 c N 3.129 121.733 118.600 0.007 0.000 2.562 291 c HA 0.159 4.729 4.570 -0.000 0.000 0.266 291 c C 2.285 176.378 174.090 0.005 0.000 1.382 291 c CA -0.059 56.272 56.329 0.003 0.000 1.742 291 c CB -0.763 41.751 42.510 0.006 0.000 1.812 291 c HN 0.643 nan 8.230 nan 0.000 0.559 292 L N 0.428 121.655 121.223 0.007 0.000 2.616 292 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 292 L C 1.473 178.345 176.870 0.003 0.000 1.110 292 L CA -0.079 54.765 54.840 0.006 0.000 0.884 292 L CB -0.254 41.810 42.059 0.009 0.000 1.115 292 L HN 0.148 nan 8.230 nan 0.000 0.481 293 A N 1.591 124.413 122.820 0.003 0.000 2.545 293 A HA 0.321 4.641 4.320 -0.000 0.000 0.253 293 A C -2.155 175.426 177.584 -0.004 0.000 1.074 293 A CA -0.745 51.293 52.037 0.002 0.000 0.760 293 A CB -0.710 18.293 19.000 0.005 0.000 1.005 293 A HN -0.007 nan 8.150 nan 0.000 0.506 294 P HA 0.530 nan 4.420 nan 0.000 0.278 294 P C -0.599 176.693 177.300 -0.012 0.000 1.238 294 P CA -0.282 62.814 63.100 -0.007 0.000 0.794 294 P CB 0.797 32.495 31.700 -0.003 0.000 0.955 295 R N 0.791 121.280 120.500 -0.019 0.000 2.673 295 R HA 0.540 4.880 4.340 -0.000 0.000 0.281 295 R C -0.960 175.324 176.300 -0.025 0.000 0.991 295 R CA -1.209 54.875 56.100 -0.026 0.000 0.896 295 R CB 2.103 32.379 30.300 -0.040 0.000 1.201 295 R HN 0.227 nan 8.270 nan 0.000 0.457 296 V N 4.034 123.932 119.914 -0.028 0.000 2.740 296 V HA 0.112 4.232 4.120 -0.000 0.000 0.303 296 V C 0.598 176.672 176.094 -0.032 0.000 1.054 296 V CA -0.037 62.247 62.300 -0.027 0.000 1.106 296 V CB 0.913 32.718 31.823 -0.030 0.000 0.957 296 V HN 0.636 nan 8.190 nan 0.000 0.486 297 M N 5.606 125.190 119.600 -0.026 0.000 2.240 297 M HA 0.224 4.704 4.480 -0.000 0.000 0.317 297 M C -0.430 175.849 176.300 -0.036 0.000 1.087 297 M CA 0.491 55.775 55.300 -0.026 0.000 1.176 297 M CB 0.359 32.949 32.600 -0.017 0.000 1.439 297 M HN 0.469 nan 8.290 nan 0.000 0.452 298 L N 2.776 123.979 121.223 -0.034 0.000 2.298 298 L HA 0.244 4.583 4.340 -0.000 0.000 0.284 298 L C 0.314 177.166 176.870 -0.031 0.000 1.013 298 L CA -0.560 54.255 54.840 -0.041 0.000 0.824 298 L CB 1.202 43.237 42.059 -0.039 0.000 1.221 298 L HN 0.543 nan 8.230 nan 0.000 0.418 299 E N 4.001 124.182 120.200 -0.032 0.000 2.383 299 E HA 0.219 4.569 4.350 -0.000 0.000 0.264 299 E C -2.213 174.373 176.600 -0.024 0.000 1.050 299 E CA -1.761 54.627 56.400 -0.021 0.000 0.896 299 E CB 0.318 30.011 29.700 -0.013 0.000 0.982 299 E HN 0.266 nan 8.360 nan 0.000 0.424 300 P HA -0.030 nan 4.420 nan 0.000 0.265 300 P C 0.290 177.572 177.300 -0.029 0.000 1.193 300 P CA 0.245 63.330 63.100 -0.025 0.000 0.765 300 P CB 0.634 32.321 31.700 -0.021 0.000 0.823 301 A N 5.186 127.981 122.820 -0.043 0.000 1.859 301 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 301 A C 1.559 179.121 177.584 -0.037 0.000 1.198 301 A CA 1.970 53.977 52.037 -0.050 0.000 0.629 301 A CB -1.752 17.198 19.000 -0.083 0.000 0.830 301 A HN 0.714 nan 8.150 nan 0.000 0.446 302 A N -1.124 121.673 122.820 -0.038 0.000 2.624 302 A HA -0.148 4.171 4.320 -0.000 0.000 0.302 302 A C 0.500 178.071 177.584 -0.022 0.000 1.504 302 A CA 2.178 54.198 52.037 -0.029 0.000 0.804 302 A CB -1.744 17.243 19.000 -0.023 0.000 1.020 302 A HN 1.508 nan 8.150 nan 0.000 0.444 303 E N -3.475 116.711 120.200 -0.024 0.000 2.321 303 E HA 0.130 4.480 4.350 -0.000 0.000 0.158 303 E C 0.082 176.672 176.600 -0.017 0.000 0.877 303 E CA 0.268 56.658 56.400 -0.016 0.000 1.344 303 E CB -1.627 28.067 29.700 -0.010 0.000 1.630 303 E HN 0.368 nan 8.360 nan 0.000 0.669 304 T N 3.025 117.564 114.554 -0.024 0.000 2.658 304 T HA -0.072 4.278 4.350 -0.000 0.000 0.252 304 T C 0.632 175.325 174.700 -0.012 0.000 1.021 304 T CA 0.519 62.606 62.100 -0.022 0.000 1.169 304 T CB -0.267 68.583 68.868 -0.030 0.000 1.015 304 T HN 0.218 nan 8.240 nan 0.000 0.489 305 I N 7.542 128.109 120.570 -0.006 0.000 2.872 305 I HA 0.009 4.179 4.170 -0.000 0.000 0.287 305 I C -1.520 174.596 176.117 -0.002 0.000 1.197 305 I CA -1.230 60.068 61.300 -0.002 0.000 1.390 305 I CB -0.097 37.904 38.000 0.002 0.000 1.400 305 I HN 0.432 nan 8.210 nan 0.000 0.544 306 P HA 0.100 nan 4.420 nan 0.000 0.274 306 P C -0.259 177.040 177.300 -0.001 0.000 1.291 306 P CA -0.278 62.820 63.100 -0.003 0.000 0.815 306 P CB 0.517 32.214 31.700 -0.005 0.000 0.897 307 Q N 1.617 121.417 119.800 0.000 0.000 2.631 307 Q HA 0.136 4.476 4.340 -0.000 0.000 0.210 307 Q C 0.046 176.045 176.000 -0.000 0.000 1.094 307 Q CA 0.193 55.996 55.803 0.001 0.000 1.055 307 Q CB 0.527 29.266 28.738 0.002 0.000 1.261 307 Q HN 0.327 nan 8.270 nan 0.000 0.615 308 T N 0.803 115.357 114.554 -0.000 0.000 2.875 308 T HA 0.175 4.525 4.350 -0.000 0.000 0.284 308 T C -0.663 174.036 174.700 -0.001 0.000 0.995 308 T CA -0.609 61.490 62.100 -0.001 0.000 1.060 308 T CB 1.140 70.007 68.868 -0.001 0.000 0.967 308 T HN 0.431 nan 8.240 nan 0.000 0.476 309 Q N 2.701 122.500 119.800 -0.001 0.000 2.337 309 Q HA 0.349 4.689 4.340 -0.000 0.000 0.270 309 Q C -0.412 175.587 176.000 -0.002 0.000 1.002 309 Q CA 0.612 56.414 55.803 -0.001 0.000 0.888 309 Q CB 0.465 29.202 28.738 -0.001 0.000 1.222 309 Q HN 0.701 nan 8.270 nan 0.000 0.400 310 E N 3.406 123.605 120.200 -0.002 0.000 2.531 310 E HA 0.132 4.481 4.350 -0.000 0.000 0.323 310 E C -1.167 175.431 176.600 -0.003 0.000 0.908 310 E CA -0.342 56.056 56.400 -0.003 0.000 0.792 310 E CB 0.653 30.351 29.700 -0.004 0.000 1.360 310 E HN 0.513 nan 8.360 nan 0.000 0.394 311 I N 6.843 127.412 120.570 -0.003 0.000 2.421 311 I HA 0.183 4.352 4.170 -0.000 0.000 0.291 311 I C 0.678 176.793 176.117 -0.004 0.000 1.089 311 I CA 0.079 61.377 61.300 -0.003 0.000 1.354 311 I CB -0.634 37.364 38.000 -0.002 0.000 1.413 311 I HN 0.456 nan 8.210 nan 0.000 0.513 312 I N 3.195 123.762 120.570 -0.005 0.000 2.822 312 I HA 0.659 4.829 4.170 -0.000 0.000 0.312 312 I C 0.099 176.212 176.117 -0.006 0.000 1.011 312 I CA -0.620 60.677 61.300 -0.005 0.000 1.105 312 I CB 2.077 40.073 38.000 -0.006 0.000 1.291 312 I HN 0.423 nan 8.210 nan 0.000 0.474 313 S N 2.812 118.509 115.700 -0.006 0.000 2.503 313 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 313 S C -1.015 173.582 174.600 -0.005 0.000 1.087 313 S CA -0.461 57.735 58.200 -0.008 0.000 1.042 313 S CB 1.589 64.784 63.200 -0.010 0.000 1.043 313 S HN 0.583 nan 8.310 nan 0.000 0.489 314 V N 3.829 123.738 119.914 -0.009 0.000 2.668 314 V HA 0.401 4.521 4.120 -0.000 0.000 0.304 314 V C -0.461 175.624 176.094 -0.016 0.000 1.071 314 V CA -0.729 61.569 62.300 -0.004 0.000 0.894 314 V CB 2.250 34.076 31.823 0.004 0.000 1.008 314 V HN 1.005 nan 8.190 nan 0.000 0.425 315 T N 6.170 120.717 114.554 -0.011 0.000 2.723 315 T HA 0.445 4.795 4.350 -0.000 0.000 0.297 315 T C -0.330 174.362 174.700 -0.015 0.000 0.925 315 T CA -0.056 62.032 62.100 -0.020 0.000 1.030 315 T CB 0.635 69.493 68.868 -0.017 0.000 0.905 315 T HN 0.411 nan 8.240 nan 0.000 0.502 316 L N 4.921 126.131 121.223 -0.022 0.000 2.276 316 L HA 0.487 4.827 4.340 -0.000 0.000 0.286 316 L C -0.171 176.745 176.870 0.077 0.000 1.061 316 L CA -0.093 54.740 54.840 -0.012 0.000 0.807 316 L CB 0.872 42.869 42.059 -0.103 0.000 1.177 316 L HN 0.739 nan 8.230 nan 0.000 0.429 317 Q N 3.901 123.756 119.800 0.092 0.000 2.331 317 Q HA 0.712 5.052 4.340 -0.000 0.000 0.272 317 Q C -1.890 174.222 176.000 0.187 0.000 1.062 317 Q CA -1.011 54.890 55.803 0.163 0.000 0.806 317 Q CB 2.223 31.009 28.738 0.081 0.000 1.312 317 Q HN 0.402 nan 8.270 nan 0.000 0.431 318 V N 4.559 124.643 119.914 0.283 0.000 2.349 318 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 318 V C 0.204 176.430 176.094 0.220 0.000 1.014 318 V CA -0.533 61.909 62.300 0.238 0.000 0.826 318 V CB 0.584 32.534 31.823 0.212 0.000 1.009 318 V HN 0.795 nan 8.190 nan 0.000 0.431 319 L N 2.991 124.318 121.223 0.173 0.000 2.867 319 L HA 0.303 4.643 4.340 -0.000 0.000 0.158 319 L C 1.647 178.608 176.870 0.152 0.000 1.387 319 L CA 0.238 55.158 54.840 0.132 0.000 1.696 319 L CB -0.206 41.904 42.059 0.085 0.000 2.480 319 L HN 0.854 nan 8.230 nan 0.000 0.522 320 S N -0.906 114.851 115.700 0.094 0.000 3.420 320 S HA -0.222 4.248 4.470 -0.000 0.000 0.367 320 S C -0.451 174.220 174.600 0.119 0.000 1.063 320 S CA 0.745 58.985 58.200 0.066 0.000 1.073 320 S CB -2.012 61.183 63.200 -0.009 0.000 0.905 320 S HN 0.421 nan 8.310 nan 0.000 0.485 321 L N -0.619 120.683 121.223 0.131 0.000 2.549 321 L HA 0.466 4.806 4.340 -0.000 0.000 0.259 321 L C 1.064 177.996 176.870 0.103 0.000 0.934 321 L CA -0.933 53.988 54.840 0.135 0.000 0.865 321 L CB 1.376 43.547 42.059 0.187 0.000 1.352 321 L HN 0.248 nan 8.230 nan 0.000 0.410 322 L N 1.742 123.013 121.223 0.081 0.000 3.805 322 L HA -0.258 4.082 4.340 -0.000 0.000 0.076 322 L C -1.490 175.419 176.870 0.065 0.000 3.610 322 L CA 1.661 56.540 54.840 0.064 0.000 1.426 322 L CB -1.079 41.016 42.059 0.060 0.000 3.028 322 L HN 0.513 nan 8.230 nan 0.000 0.661 323 P HA 0.246 nan 4.420 nan 0.000 0.287 323 P C -2.448 174.914 177.300 0.103 0.000 1.281 323 P CA -1.330 61.814 63.100 0.072 0.000 0.781 323 P CB 0.478 32.217 31.700 0.065 0.000 0.903 324 P HA -0.021 nan 4.420 nan 0.000 0.265 324 P C -1.033 176.357 177.300 0.149 0.000 1.193 324 P CA 0.105 63.278 63.100 0.121 0.000 0.765 324 P CB 0.300 32.048 31.700 0.080 0.000 0.823 325 Y N 4.849 125.193 120.300 0.073 0.000 2.320 325 Y HA 0.433 4.983 4.550 -0.001 0.000 0.334 325 Y C 0.292 176.218 175.900 0.044 0.000 1.055 325 Y CA -0.650 57.494 58.100 0.075 0.000 1.143 325 Y CB 1.106 39.648 38.460 0.135 0.000 1.193 325 Y HN 0.435 nan 8.280 nan 0.000 0.477 326 R N 4.586 124.824 120.500 -0.436 0.000 2.508 326 R HA 0.510 4.850 4.340 -0.000 0.000 0.283 326 R C -2.203 173.812 176.300 -0.474 0.000 1.120 326 R CA -0.953 54.953 56.100 -0.323 0.000 0.958 326 R CB 1.336 31.576 30.300 -0.099 0.000 1.215 326 R HN 0.663 nan 8.270 nan 0.000 0.427 327 Q N 2.017 121.583 119.800 -0.391 0.000 2.268 327 Q HA 0.285 4.625 4.340 -0.000 0.000 0.266 327 Q C -1.335 174.591 176.000 -0.123 0.000 1.006 327 Q CA -0.535 55.100 55.803 -0.279 0.000 0.824 327 Q CB 2.578 31.103 28.738 -0.354 0.000 1.306 327 Q HN 0.718 nan 8.270 nan 0.000 0.424 328 S N 5.551 121.197 115.700 -0.091 0.000 2.503 328 S HA 0.230 4.700 4.470 -0.000 0.000 0.317 328 S C 0.144 174.717 174.600 -0.045 0.000 1.162 328 S CA -0.468 57.699 58.200 -0.055 0.000 1.124 328 S CB -0.257 62.916 63.200 -0.044 0.000 1.207 328 S HN 0.491 nan 8.310 nan 0.000 0.538 329 I N 4.091 124.636 120.570 -0.041 0.000 2.519 329 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 329 I C 0.781 176.883 176.117 -0.024 0.000 1.047 329 I CA -0.128 61.151 61.300 -0.034 0.000 1.381 329 I CB 1.249 39.219 38.000 -0.050 0.000 1.417 329 I HN 0.541 nan 8.210 nan 0.000 0.540 330 S N 6.341 122.032 115.700 -0.016 0.000 2.474 330 S HA 0.698 5.168 4.470 -0.000 0.000 0.321 330 S C -0.484 174.112 174.600 -0.007 0.000 1.080 330 S CA -0.508 57.686 58.200 -0.011 0.000 1.106 330 S CB 0.473 63.668 63.200 -0.008 0.000 0.984 330 S HN 0.449 nan 8.310 nan 0.000 0.464 331 V N 2.979 122.890 119.914 -0.006 0.000 3.155 331 V HA 0.755 4.874 4.120 -0.000 0.000 0.313 331 V C -0.510 175.582 176.094 -0.002 0.000 1.162 331 V CA -1.295 61.004 62.300 -0.003 0.000 1.048 331 V CB 1.309 33.130 31.823 -0.004 0.000 1.092 331 V HN 0.713 nan 8.190 nan 0.000 0.447 332 L N 2.316 123.539 121.223 -0.000 0.000 2.417 332 L HA 0.720 5.060 4.340 -0.000 0.000 0.268 332 L C 0.864 177.732 176.870 -0.005 0.000 1.158 332 L CA 0.703 55.542 54.840 -0.001 0.000 0.819 332 L CB 0.820 42.880 42.059 0.001 0.000 1.112 332 L HN 1.151 nan 8.230 nan 0.000 0.458 333 A N 3.090 125.906 122.820 -0.007 0.000 2.498 333 A HA 0.467 4.787 4.320 -0.000 0.000 0.239 333 A C 1.232 178.808 177.584 -0.013 0.000 1.068 333 A CA 0.388 52.418 52.037 -0.012 0.000 0.766 333 A CB -0.446 18.547 19.000 -0.011 0.000 1.003 333 A HN 1.672 nan 8.150 nan 0.000 0.497 334 G N 1.259 110.045 108.800 -0.023 0.000 2.199 334 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 334 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 334 G C 0.597 175.486 174.900 -0.018 0.000 0.982 334 G CA 0.401 45.487 45.100 -0.024 0.000 0.632 334 G HN 1.233 nan 8.290 nan 0.000 0.529 335 S N 0.367 116.059 115.700 -0.013 0.000 2.566 335 S HA 0.461 4.930 4.470 -0.000 0.000 0.280 335 S C 0.677 175.275 174.600 -0.005 0.000 1.343 335 S CA 0.877 59.075 58.200 -0.003 0.000 1.036 335 S CB 1.424 64.624 63.200 -0.001 0.000 0.866 335 S HN 0.643 nan 8.310 nan 0.000 0.526 336 T N 1.157 115.719 114.554 0.013 0.000 2.902 336 T HA 0.244 4.594 4.350 -0.000 0.000 0.280 336 T C 1.561 176.284 174.700 0.038 0.000 0.992 336 T CA -0.795 61.322 62.100 0.030 0.000 1.015 336 T CB 0.693 69.590 68.868 0.048 0.000 1.044 336 T HN 0.272 nan 8.240 nan 0.000 0.520 337 V N 2.650 122.610 119.914 0.076 0.000 2.380 337 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 337 V C 2.533 178.609 176.094 -0.030 0.000 1.063 337 V CA 2.438 64.767 62.300 0.049 0.000 1.055 337 V CB -0.737 31.136 31.823 0.083 0.000 0.657 337 V HN 0.956 nan 8.190 nan 0.000 0.455 338 E N -0.154 120.039 120.200 -0.011 0.000 2.118 338 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 338 E C 1.833 178.412 176.600 -0.035 0.000 0.992 338 E CA 1.506 57.883 56.400 -0.039 0.000 0.804 338 E CB -0.053 29.671 29.700 0.041 0.000 0.741 338 E HN 0.655 nan 8.360 nan 0.000 0.458 339 D N -0.113 120.286 120.400 -0.002 0.000 2.117 339 D HA -0.138 4.501 4.640 -0.000 0.000 0.198 339 D C 2.075 178.363 176.300 -0.020 0.000 0.982 339 D CA 0.943 54.948 54.000 0.007 0.000 0.828 339 D CB -0.214 40.595 40.800 0.015 0.000 0.967 339 D HN 0.130 nan 8.370 nan 0.000 0.464 340 V N 1.458 121.344 119.914 -0.047 0.000 2.295 340 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 340 V C 2.731 178.732 176.094 -0.154 0.000 1.049 340 V CA 1.129 63.381 62.300 -0.081 0.000 1.024 340 V CB -0.536 31.242 31.823 -0.076 0.000 0.648 340 V HN 0.187 nan 8.190 nan 0.000 0.447 341 L N -0.558 120.529 121.223 -0.227 0.000 2.012 341 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 341 L C 2.655 179.431 176.870 -0.158 0.000 1.073 341 L CA 1.923 56.537 54.840 -0.377 0.000 0.748 341 L CB -0.640 40.989 42.059 -0.716 0.000 0.891 341 L HN 0.293 nan 8.230 nan 0.000 0.431 342 K N -0.173 120.205 120.400 -0.037 0.000 2.032 342 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 342 K C 2.191 178.896 176.600 0.176 0.000 1.048 342 K CA 1.322 57.711 56.287 0.171 0.000 0.927 342 K CB 0.039 32.624 32.500 0.142 0.000 0.712 342 K HN 0.113 nan 8.250 nan 0.000 0.441 343 K N 0.200 120.648 120.400 0.079 0.000 2.097 343 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 343 K C 2.059 178.707 176.600 0.081 0.000 1.049 343 K CA 1.368 57.697 56.287 0.069 0.000 0.933 343 K CB -0.481 32.033 32.500 0.024 0.000 0.717 343 K HN 0.176 nan 8.250 nan 0.000 0.442 344 A N 1.570 124.414 122.820 0.041 0.000 1.902 344 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 344 A C 2.234 179.958 177.584 0.234 0.000 1.181 344 A CA 1.745 53.801 52.037 0.032 0.000 0.623 344 A CB -0.820 17.981 19.000 -0.331 0.000 0.818 344 A HN 0.468 nan 8.150 nan 0.000 0.443 345 H N 0.736 119.980 119.070 0.290 0.000 2.319 345 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 345 H C 2.004 177.436 175.328 0.173 0.000 1.092 345 H CA 2.006 58.240 56.048 0.310 0.000 1.302 345 H CB -0.058 29.914 29.762 0.350 0.000 1.373 345 H HN 0.780 nan 8.280 nan 0.000 0.497 346 E N 0.021 120.295 120.200 0.123 0.000 2.216 346 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 346 E C 2.385 178.990 176.600 0.008 0.000 0.988 346 E CA 0.428 56.842 56.400 0.024 0.000 0.834 346 E CB -0.249 29.516 29.700 0.109 0.000 0.772 346 E HN 0.321 nan 8.360 nan 0.000 0.479 347 L N 0.521 121.771 121.223 0.045 0.000 2.023 347 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 347 L C 1.191 178.081 176.870 0.033 0.000 1.073 347 L CA 1.985 56.848 54.840 0.037 0.000 0.745 347 L CB -0.004 42.082 42.059 0.045 0.000 0.900 347 L HN 0.302 nan 8.230 nan 0.000 0.435 348 G N -2.853 105.984 108.800 0.062 0.000 2.933 348 G HA2 0.376 4.336 3.960 -0.000 0.000 0.203 348 G HA3 0.376 4.336 3.960 -0.000 0.000 0.203 348 G C -0.598 174.364 174.900 0.103 0.000 1.170 348 G CA -0.121 45.022 45.100 0.072 0.000 0.880 348 G HN 0.186 nan 8.290 nan 0.000 0.573 349 G N 0.136 109.033 108.800 0.163 0.000 2.865 349 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 349 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 349 G C -1.252 173.829 174.900 0.303 0.000 0.800 349 G CA 0.001 45.203 45.100 0.171 0.000 1.838 349 G HN 0.630 nan 8.290 nan 0.000 0.535 350 F N 2.408 122.380 119.950 0.036 0.000 2.615 350 F HA 0.644 5.170 4.527 -0.000 0.000 0.312 350 F C -0.220 175.628 175.800 0.079 0.000 1.119 350 F CA -0.586 57.378 58.000 -0.060 0.000 0.979 350 F CB 2.106 41.004 39.000 -0.170 0.000 1.266 350 F HN 0.429 nan 8.300 nan 0.000 0.444 351 T N 1.878 115.999 114.554 -0.722 0.000 2.883 351 T HA 0.814 5.163 4.350 -0.000 0.000 0.296 351 T C -1.425 172.885 174.700 -0.649 0.000 1.117 351 T CA -0.766 61.106 62.100 -0.380 0.000 1.006 351 T CB 2.197 70.956 68.868 -0.182 0.000 1.191 351 T HN 1.043 nan 8.240 nan 0.000 0.508 352 Y N -1.642 118.354 120.300 -0.506 0.000 2.565 352 Y HA 0.746 5.296 4.550 -0.000 0.000 0.330 352 Y C -1.592 174.139 175.900 -0.282 0.000 1.150 352 Y CA -1.177 56.659 58.100 -0.440 0.000 1.055 352 Y CB 1.276 39.533 38.460 -0.338 0.000 1.337 352 Y HN 0.597 nan 8.280 nan 0.000 0.457 353 E N 2.368 122.398 120.200 -0.283 0.000 2.212 353 E HA 0.502 4.852 4.350 -0.000 0.000 0.268 353 E C -0.764 175.762 176.600 -0.123 0.000 0.902 353 E CA -0.645 55.596 56.400 -0.265 0.000 0.779 353 E CB 2.416 32.007 29.700 -0.183 0.000 1.172 353 E HN 0.834 nan 8.360 nan 0.000 0.409 354 T N -0.708 113.788 114.554 -0.096 0.000 2.926 354 T HA 0.632 4.982 4.350 -0.000 0.000 0.289 354 T C -0.170 174.534 174.700 0.006 0.000 1.054 354 T CA -0.832 61.263 62.100 -0.008 0.000 1.015 354 T CB 1.807 70.715 68.868 0.066 0.000 1.167 354 T HN 0.268 nan 8.240 nan 0.000 0.526 355 Q N -0.055 119.789 119.800 0.075 0.000 2.394 355 Q HA 0.672 5.012 4.340 -0.000 0.000 0.273 355 Q C -0.515 175.534 176.000 0.081 0.000 1.089 355 Q CA -1.263 54.590 55.803 0.084 0.000 0.812 355 Q CB 2.438 31.267 28.738 0.152 0.000 1.353 355 Q HN 1.038 nan 8.270 nan 0.000 0.438 356 A N 1.321 124.148 122.820 0.011 0.000 2.366 356 A HA 0.648 4.968 4.320 -0.000 0.000 0.249 356 A C -0.272 177.297 177.584 -0.026 0.000 1.084 356 A CA 0.199 52.214 52.037 -0.037 0.000 0.794 356 A CB 0.364 19.297 19.000 -0.112 0.000 1.034 356 A HN 0.760 nan 8.150 nan 0.000 0.491 357 S N -0.486 115.182 115.700 -0.052 0.000 2.597 357 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 357 S C -0.188 174.366 174.600 -0.077 0.000 1.132 357 S CA -0.653 57.507 58.200 -0.066 0.000 0.835 357 S CB 0.169 63.316 63.200 -0.088 0.000 1.092 357 S HN 0.545 nan 8.310 nan 0.000 0.457 358 L N 1.354 122.537 121.223 -0.066 0.000 2.447 358 L HA 0.108 4.448 4.340 -0.000 0.000 0.225 358 L C 2.234 179.039 176.870 -0.107 0.000 1.148 358 L CA 1.633 56.434 54.840 -0.065 0.000 0.808 358 L CB -1.305 40.743 42.059 -0.018 0.000 0.928 358 L HN 0.876 nan 8.230 nan 0.000 0.448 359 S N -1.722 113.917 115.700 -0.101 0.000 2.512 359 S HA 0.511 4.981 4.470 -0.000 0.000 0.216 359 S C 0.755 175.314 174.600 -0.069 0.000 1.006 359 S CA 0.440 58.581 58.200 -0.099 0.000 0.915 359 S CB 0.189 63.328 63.200 -0.101 0.000 0.824 359 S HN 0.626 nan 8.310 nan 0.000 0.497 360 G N 1.783 110.554 108.800 -0.049 0.000 2.362 360 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.517 360 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.517 360 G C -3.283 171.652 174.900 0.059 0.000 1.256 360 G CA -0.923 44.188 45.100 0.019 0.000 1.027 360 G HN 0.061 nan 8.290 nan 0.000 0.491 361 P HA 0.266 nan 4.420 nan 0.000 0.266 361 P C -1.171 176.232 177.300 0.172 0.000 1.215 361 P CA 0.477 63.650 63.100 0.120 0.000 0.763 361 P CB 0.332 32.109 31.700 0.128 0.000 0.806 362 Y N 5.173 125.491 120.300 0.030 0.000 2.335 362 Y HA 0.377 4.927 4.550 -0.000 0.000 0.339 362 Y C -0.485 175.457 175.900 0.070 0.000 0.987 362 Y CA -1.576 56.548 58.100 0.040 0.000 1.140 362 Y CB 0.890 39.361 38.460 0.018 0.000 1.173 362 Y HN 0.211 nan 8.280 nan 0.000 0.486 363 L N 6.797 127.875 121.223 -0.241 0.000 2.418 363 L HA 0.242 4.582 4.340 -0.000 0.000 0.274 363 L C 0.866 177.503 176.870 -0.389 0.000 1.135 363 L CA 1.058 55.765 54.840 -0.222 0.000 0.870 363 L CB 0.642 42.637 42.059 -0.106 0.000 1.154 363 L HN 0.926 nan 8.230 nan 0.000 0.462 364 T N -0.637 113.785 114.554 -0.221 0.000 2.987 364 T HA 0.250 4.600 4.350 -0.000 0.000 0.248 364 T C 0.606 175.336 174.700 0.049 0.000 0.997 364 T CA 0.356 62.404 62.100 -0.087 0.000 1.013 364 T CB 0.061 68.905 68.868 -0.041 0.000 1.077 364 T HN 0.502 nan 8.240 nan 0.000 0.483 365 S N 0.238 115.842 115.700 -0.160 0.000 2.547 365 S HA 0.700 5.170 4.470 -0.000 0.000 0.281 365 S C -1.628 172.648 174.600 -0.541 0.000 1.118 365 S CA -0.507 57.559 58.200 -0.222 0.000 0.947 365 S CB 1.930 65.065 63.200 -0.109 0.000 1.053 365 S HN 0.253 nan 8.310 nan 0.000 0.482 366 V N 6.036 125.468 119.914 -0.803 0.000 2.638 366 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 366 V C 0.037 175.789 176.094 -0.570 0.000 1.052 366 V CA -0.821 60.941 62.300 -0.897 0.000 0.885 366 V CB 1.674 32.601 31.823 -1.494 0.000 0.999 366 V HN 1.066 nan 8.190 nan 0.000 0.424 367 M N 3.191 122.436 119.600 -0.591 0.000 2.333 367 M HA -0.220 4.259 4.480 -0.000 0.000 0.199 367 M C 1.260 177.448 176.300 -0.186 0.000 0.376 367 M CA 1.315 56.391 55.300 -0.374 0.000 0.440 367 M CB -1.979 30.484 32.600 -0.229 0.000 1.506 367 M HN 1.622 nan 8.290 nan 0.000 0.889 368 G N -0.211 108.475 108.800 -0.189 0.000 2.162 368 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 368 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 368 G C 0.033 174.924 174.900 -0.015 0.000 0.976 368 G CA 0.824 45.869 45.100 -0.092 0.000 0.655 368 G HN 0.582 nan 8.290 nan 0.000 0.533 369 K N 1.047 121.466 120.400 0.032 0.000 2.354 369 K HA 0.732 5.052 4.320 -0.000 0.000 0.257 369 K C 0.540 177.325 176.600 0.307 0.000 1.062 369 K CA 0.189 56.589 56.287 0.188 0.000 0.971 369 K CB 0.427 33.122 32.500 0.324 0.000 1.305 369 K HN 0.748 nan 8.250 nan 0.000 0.449 370 A N 3.200 126.134 122.820 0.191 0.000 2.450 370 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 370 A C 0.119 177.858 177.584 0.258 0.000 1.096 370 A CA -0.081 52.084 52.037 0.212 0.000 0.778 370 A CB 0.041 19.101 19.000 0.100 0.000 1.031 370 A HN 0.887 nan 8.150 nan 0.000 0.494 371 A N 2.931 125.948 122.820 0.327 0.000 2.546 371 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 371 A C 1.181 178.824 177.584 0.098 0.000 1.063 371 A CA 0.419 52.532 52.037 0.127 0.000 0.757 371 A CB -0.435 18.652 19.000 0.145 0.000 0.991 371 A HN 1.561 nan 8.150 nan 0.000 0.503 372 G N 1.303 110.127 108.800 0.039 0.000 2.679 372 G HA2 0.281 4.241 3.960 -0.000 0.000 0.202 372 G HA3 0.281 4.241 3.960 -0.000 0.000 0.202 372 G C 0.740 175.684 174.900 0.073 0.000 1.566 372 G CA 0.624 45.750 45.100 0.044 0.000 1.074 372 G HN 0.862 nan 8.290 nan 0.000 0.564 373 E N -0.355 119.868 120.200 0.038 0.000 2.029 373 E HA 0.051 4.401 4.350 -0.000 0.000 0.217 373 E C 1.729 178.347 176.600 0.031 0.000 0.903 373 E CA 0.089 56.506 56.400 0.028 0.000 1.062 373 E CB 0.044 29.732 29.700 -0.020 0.000 0.908 373 E HN 0.241 nan 8.360 nan 0.000 0.569 374 R N 1.414 121.841 120.500 -0.122 0.000 4.054 374 R HA 0.043 4.383 4.340 -0.000 0.000 0.227 374 R C -0.567 175.784 176.300 0.085 0.000 1.902 374 R CA 0.139 56.041 56.100 -0.330 0.000 1.590 374 R CB -0.481 29.385 30.300 -0.723 0.000 1.245 374 R HN 0.336 nan 8.270 nan 0.000 0.647 375 E N 0.592 120.966 120.200 0.289 0.000 2.263 375 E HA 0.522 4.872 4.350 -0.000 0.000 0.264 375 E C -0.573 176.279 176.600 0.420 0.000 0.923 375 E CA -1.041 55.536 56.400 0.294 0.000 0.802 375 E CB 1.571 31.266 29.700 -0.009 0.000 1.228 375 E HN 0.032 nan 8.360 nan 0.000 0.417 376 F N -2.186 117.774 119.950 0.017 0.000 2.654 376 F HA 0.512 5.039 4.527 -0.000 0.000 0.308 376 F C -1.910 173.789 175.800 -0.168 0.000 1.108 376 F CA -1.615 56.348 58.000 -0.062 0.000 0.957 376 F CB 0.877 39.816 39.000 -0.102 0.000 1.309 376 F HN 0.471 nan 8.300 nan 0.000 0.446 377 W N 3.561 124.831 121.300 -0.051 0.000 2.497 377 W HA 0.375 5.035 4.660 -0.000 0.000 0.354 377 W C 0.390 176.834 176.519 -0.126 0.000 1.111 377 W CA -0.047 57.207 57.345 -0.152 0.000 1.510 377 W CB 0.695 30.098 29.460 -0.095 0.000 1.466 377 W HN 0.639 nan 8.180 nan 0.000 0.409 378 Q N 3.066 122.749 119.800 -0.195 0.000 2.352 378 Q HA 0.318 4.657 4.340 -0.000 0.000 0.260 378 Q C -0.537 175.516 176.000 0.088 0.000 0.976 378 Q CA -0.191 55.577 55.803 -0.059 0.000 0.881 378 Q CB 0.711 29.284 28.738 -0.274 0.000 1.235 378 Q HN 0.451 nan 8.270 nan 0.000 0.419 379 L N 4.800 126.087 121.223 0.107 0.000 2.295 379 L HA 0.542 4.882 4.340 -0.000 0.000 0.285 379 L C -0.760 176.095 176.870 -0.025 0.000 1.035 379 L CA -0.661 54.196 54.840 0.028 0.000 0.806 379 L CB 0.918 42.976 42.059 -0.003 0.000 1.214 379 L HN 0.566 nan 8.230 nan 0.000 0.426 380 L N 3.395 124.586 121.223 -0.054 0.000 2.409 380 L HA 0.598 4.938 4.340 -0.000 0.000 0.262 380 L C -0.457 176.353 176.870 -0.100 0.000 0.992 380 L CA -0.513 54.286 54.840 -0.067 0.000 0.817 380 L CB 2.481 44.526 42.059 -0.022 0.000 1.350 380 L HN 0.543 nan 8.230 nan 0.000 0.411 381 R N 1.405 121.843 120.500 -0.104 0.000 2.343 381 R HA 0.292 4.631 4.340 -0.000 0.000 0.320 381 R C -1.118 175.169 176.300 -0.022 0.000 0.956 381 R CA -0.651 55.405 56.100 -0.073 0.000 0.836 381 R CB 1.485 31.734 30.300 -0.086 0.000 1.151 381 R HN 0.706 nan 8.270 nan 0.000 0.450 382 D N 4.917 125.314 120.400 -0.004 0.000 2.458 382 D HA 0.077 4.717 4.640 -0.000 0.000 0.243 382 D C -1.986 174.320 176.300 0.010 0.000 1.146 382 D CA -0.677 53.326 54.000 0.005 0.000 0.877 382 D CB 0.954 41.759 40.800 0.009 0.000 1.176 382 D HN 0.268 nan 8.370 nan 0.000 0.461 383 P HA 0.326 nan 4.420 nan 0.000 0.291 383 P C -0.850 176.454 177.300 0.006 0.000 1.378 383 P CA -0.569 62.536 63.100 0.008 0.000 0.853 383 P CB 0.910 32.616 31.700 0.010 0.000 1.002 384 N N -0.202 118.501 118.700 0.004 0.000 2.713 384 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 384 N C -0.416 175.097 175.510 0.004 0.000 1.117 384 N CA 1.728 54.781 53.050 0.005 0.000 0.770 384 N CB -1.871 36.622 38.487 0.009 0.000 1.137 384 N HN 0.610 nan 8.380 nan 0.000 0.566 385 T N -1.347 113.205 114.554 -0.004 0.000 2.738 385 T HA 0.485 4.835 4.350 -0.000 0.000 0.298 385 T C -2.505 172.180 174.700 -0.027 0.000 0.962 385 T CA -1.743 60.352 62.100 -0.008 0.000 0.972 385 T CB 2.239 71.103 68.868 -0.007 0.000 0.928 385 T HN -0.061 nan 8.240 nan 0.000 0.474 386 P HA 0.152 nan 4.420 nan 0.000 0.268 386 P C 0.044 177.307 177.300 -0.061 0.000 1.205 386 P CA -0.481 62.611 63.100 -0.014 0.000 0.771 386 P CB 0.804 32.531 31.700 0.044 0.000 0.858 387 L N 3.145 124.306 121.223 -0.103 0.000 2.439 387 L HA 0.123 4.463 4.340 -0.000 0.000 0.269 387 L C 1.824 178.641 176.870 -0.088 0.000 1.179 387 L CA -0.290 54.446 54.840 -0.173 0.000 0.828 387 L CB 0.049 41.920 42.059 -0.312 0.000 1.106 387 L HN 0.338 nan 8.230 nan 0.000 0.467 388 L N 2.058 123.257 121.223 -0.041 0.000 2.592 388 L HA 0.166 4.506 4.340 -0.000 0.000 0.227 388 L C 0.337 177.199 176.870 -0.014 0.000 1.127 388 L CA 0.316 55.159 54.840 0.005 0.000 0.884 388 L CB -0.019 42.109 42.059 0.115 0.000 1.065 388 L HN 0.686 nan 8.230 nan 0.000 0.457 389 Q N -1.442 118.349 119.800 -0.015 0.000 2.456 389 Q HA 0.527 4.867 4.340 -0.000 0.000 0.283 389 Q C -0.085 175.916 176.000 0.001 0.000 1.084 389 Q CA -0.639 55.139 55.803 -0.042 0.000 0.801 389 Q CB 2.207 30.987 28.738 0.070 0.000 1.434 389 Q HN 0.102 nan 8.270 nan 0.000 0.419 390 G N 0.241 109.044 108.800 0.004 0.000 2.580 390 G HA2 0.297 4.257 3.960 -0.000 0.000 0.278 390 G HA3 0.297 4.257 3.960 -0.000 0.000 0.278 390 G C 0.883 175.830 174.900 0.077 0.000 1.212 390 G CA -0.445 44.683 45.100 0.047 0.000 0.939 390 G HN 0.817 nan 8.290 nan 0.000 0.513 391 I N -2.477 118.135 120.570 0.070 0.000 2.502 391 I HA -0.070 4.100 4.170 -0.000 0.000 0.258 391 I C 1.929 178.095 176.117 0.082 0.000 1.172 391 I CA 1.859 63.196 61.300 0.062 0.000 1.430 391 I CB -0.012 38.001 38.000 0.021 0.000 1.086 391 I HN 0.274 nan 8.210 nan 0.000 0.440 392 A N -0.260 122.615 122.820 0.092 0.000 2.430 392 A HA 0.174 4.494 4.320 -0.000 0.000 0.243 392 A C 1.226 178.870 177.584 0.099 0.000 1.254 392 A CA 0.088 52.187 52.037 0.103 0.000 0.914 392 A CB -0.090 18.988 19.000 0.130 0.000 0.998 392 A HN 0.470 nan 8.150 nan 0.000 0.515 393 D N -2.489 117.965 120.400 0.090 0.000 2.480 393 D HA 0.100 4.740 4.640 -0.000 0.000 0.243 393 D C -0.514 175.833 176.300 0.078 0.000 1.120 393 D CA 0.035 54.075 54.000 0.066 0.000 0.835 393 D CB 0.151 40.962 40.800 0.018 0.000 1.204 393 D HN 0.401 nan 8.370 nan 0.000 0.513 394 Y N 2.401 122.699 120.300 -0.003 0.000 2.393 394 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 394 Y C -0.057 175.846 175.900 0.004 0.000 1.029 394 Y CA -0.187 57.912 58.100 -0.001 0.000 1.239 394 Y CB 0.397 38.855 38.460 -0.003 0.000 1.170 394 Y HN -0.409 nan 8.280 nan 0.000 0.515 395 R N 8.069 128.278 120.500 -0.485 0.000 2.332 395 R HA 0.306 4.646 4.340 -0.000 0.000 0.306 395 R C -2.477 173.540 176.300 -0.472 0.000 1.117 395 R CA -1.931 53.977 56.100 -0.320 0.000 1.108 395 R CB 0.447 30.636 30.300 -0.185 0.000 1.126 395 R HN 0.510 nan 8.270 nan 0.000 0.548 396 P HA -0.012 nan 4.420 nan 0.000 0.270 396 P C -0.704 176.557 177.300 -0.066 0.000 1.223 396 P CA -0.004 63.051 63.100 -0.075 0.000 0.785 396 P CB 0.962 32.753 31.700 0.152 0.000 0.923 397 K N 0.598 120.986 120.400 -0.020 0.000 2.177 397 K HA 0.257 4.577 4.320 -0.000 0.000 0.238 397 K C 0.006 176.609 176.600 0.005 0.000 1.015 397 K CA -0.822 55.456 56.287 -0.016 0.000 0.922 397 K CB 0.422 32.915 32.500 -0.011 0.000 1.127 397 K HN 0.399 nan 8.250 nan 0.000 0.469 398 D N 0.061 120.460 120.400 -0.001 0.000 2.493 398 D HA 0.067 4.707 4.640 -0.000 0.000 0.240 398 D C 0.851 177.156 176.300 0.008 0.000 1.142 398 D CA 1.615 55.616 54.000 0.002 0.000 0.872 398 D CB 0.233 41.032 40.800 -0.001 0.000 1.173 398 D HN 0.712 nan 8.370 nan 0.000 0.467 399 G N 3.024 111.829 108.800 0.007 0.000 2.153 399 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 399 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 399 G C 0.363 175.273 174.900 0.016 0.000 0.994 399 G CA 0.488 45.593 45.100 0.008 0.000 0.698 399 G HN 0.613 nan 8.290 nan 0.000 0.521 400 E N 0.096 120.312 120.200 0.026 0.000 2.319 400 E HA 0.565 4.915 4.350 -0.000 0.000 0.268 400 E C -0.106 176.514 176.600 0.033 0.000 1.050 400 E CA -0.203 56.222 56.400 0.042 0.000 0.878 400 E CB 0.669 30.416 29.700 0.079 0.000 1.066 400 E HN 0.134 nan 8.360 nan 0.000 0.406 401 T N 3.770 118.342 114.554 0.030 0.000 2.797 401 T HA 0.417 4.767 4.350 -0.000 0.000 0.279 401 T C -0.464 174.244 174.700 0.012 0.000 0.991 401 T CA -0.652 61.457 62.100 0.016 0.000 0.979 401 T CB 0.539 69.414 68.868 0.011 0.000 0.943 401 T HN 0.253 nan 8.240 nan 0.000 0.444 402 I N 2.845 123.418 120.570 0.004 0.000 2.362 402 I HA 0.384 4.553 4.170 -0.000 0.000 0.289 402 I C 0.363 176.479 176.117 -0.002 0.000 0.994 402 I CA -0.752 60.539 61.300 -0.015 0.000 1.158 402 I CB 1.537 39.524 38.000 -0.023 0.000 1.315 402 I HN 0.702 nan 8.210 nan 0.000 0.451 403 E N 6.744 126.945 120.200 0.002 0.000 2.175 403 E HA 0.503 4.853 4.350 -0.000 0.000 0.278 403 E C -1.331 175.303 176.600 0.056 0.000 0.969 403 E CA -0.675 55.748 56.400 0.038 0.000 0.796 403 E CB 1.556 31.279 29.700 0.040 0.000 1.104 403 E HN 0.474 nan 8.360 nan 0.000 0.395 404 L N 5.240 126.527 121.223 0.106 0.000 2.262 404 L HA 0.484 4.824 4.340 -0.000 0.000 0.288 404 L C 0.221 177.315 176.870 0.373 0.000 1.035 404 L CA -0.440 54.515 54.840 0.191 0.000 0.820 404 L CB 0.974 43.080 42.059 0.078 0.000 1.204 404 L HN 0.344 nan 8.230 nan 0.000 0.424 405 R N 3.529 124.200 120.500 0.285 0.000 2.534 405 R HA 0.443 4.783 4.340 -0.000 0.000 0.301 405 R C -1.256 174.909 176.300 -0.225 0.000 0.961 405 R CA -0.922 55.229 56.100 0.086 0.000 0.871 405 R CB 1.765 32.053 30.300 -0.020 0.000 1.170 405 R HN 0.443 nan 8.270 nan 0.000 0.446 406 L N 7.032 127.898 121.223 -0.595 0.000 2.328 406 L HA 0.225 4.565 4.340 -0.000 0.000 0.280 406 L C -0.451 176.081 176.870 -0.563 0.000 1.111 406 L CA -0.278 53.967 54.840 -0.991 0.000 0.909 406 L CB 0.775 41.978 42.059 -1.426 0.000 1.277 406 L HN 0.452 nan 8.230 nan 0.000 0.433 407 V N 1.071 120.649 119.914 -0.560 0.000 3.134 407 V HA 0.772 4.892 4.120 -0.000 0.000 0.313 407 V C 0.221 176.176 176.094 -0.231 0.000 1.069 407 V CA -0.585 61.496 62.300 -0.364 0.000 1.048 407 V CB 1.502 33.107 31.823 -0.363 0.000 1.119 407 V HN 0.670 nan 8.190 nan 0.000 0.461 408 S N 1.599 117.281 115.700 -0.031 0.000 2.532 408 S HA 0.670 5.140 4.470 -0.000 0.000 0.299 408 S C -0.843 173.927 174.600 0.284 0.000 1.105 408 S CA -0.557 57.722 58.200 0.131 0.000 1.018 408 S CB 1.165 64.373 63.200 0.012 0.000 1.021 408 S HN 1.094 nan 8.310 nan 0.000 0.483 409 W N 0.000 121.338 121.300 0.063 0.000 2.388 409 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 409 W CA 0.000 57.375 57.345 0.050 0.000 1.226 409 W CB 0.000 29.543 29.460 0.139 0.000 1.126 409 W HN 0.000 nan 8.180 nan 0.000 0.535