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_A 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 0.000 176.589 176.600 -0.019 0.000 1.382 1 E CA 0.000 56.382 56.400 -0.029 0.000 0.976 1 E CB 0.000 29.682 29.700 -0.031 0.000 0.812 2 M N 0.480 120.070 119.600 -0.018 0.000 2.080 2 M HA 0.061 4.542 4.480 0.001 0.000 0.260 2 M C 1.246 177.545 176.300 -0.002 0.000 1.068 2 M CA 1.421 56.716 55.300 -0.010 0.000 1.109 2 M CB -0.210 32.383 32.600 -0.011 0.000 1.342 2 M HN 0.573 nan 8.290 nan 0.000 0.405 3 c N 2.680 121.272 118.600 -0.012 0.000 2.225 3 c HA 0.338 4.909 4.570 0.001 0.000 0.437 3 c C -0.306 173.787 174.090 0.006 0.000 1.039 3 c CA -0.571 55.757 56.329 -0.002 0.000 1.406 3 c CB -2.030 40.460 42.510 -0.033 0.000 1.548 3 c HN 0.222 nan 8.230 nan 0.000 0.515 4 E N 2.577 122.790 120.200 0.022 0.000 2.293 4 E HA 0.491 4.841 4.350 0.001 0.000 0.270 4 E C -1.076 175.559 176.600 0.058 0.000 0.879 4 E CA -0.515 55.910 56.400 0.042 0.000 0.756 4 E CB 2.109 31.822 29.700 0.022 0.000 1.208 4 E HN 0.489 nan 8.360 nan 0.000 0.428 5 I N 4.240 124.862 120.570 0.088 0.000 2.336 5 I HA 0.240 4.410 4.170 0.001 0.000 0.292 5 I C -1.980 174.206 176.117 0.115 0.000 0.991 5 I CA -1.843 59.503 61.300 0.077 0.000 1.227 5 I CB 0.918 38.948 38.000 0.050 0.000 1.366 5 I HN 0.137 nan 8.210 nan 0.000 0.466 6 P HA 0.096 nan 4.420 nan 0.000 0.270 6 P C -0.606 176.756 177.300 0.103 0.000 1.223 6 P CA -0.481 62.674 63.100 0.093 0.000 0.785 6 P CB 0.336 32.064 31.700 0.047 0.000 0.923 7 E N 1.405 121.685 120.200 0.133 0.000 2.436 7 E HA 0.122 4.473 4.350 0.001 0.000 0.262 7 E C -0.144 176.474 176.600 0.030 0.000 1.063 7 E CA 0.333 56.781 56.400 0.079 0.000 0.944 7 E CB 0.176 29.930 29.700 0.091 0.000 0.950 7 E HN 0.330 nan 8.360 nan 0.000 0.444 8 M N 0.974 120.575 119.600 0.002 0.000 2.792 8 M HA 0.209 4.689 4.480 0.001 0.000 0.294 8 M C -0.546 175.761 176.300 0.011 0.000 1.215 8 M CA -1.044 54.257 55.300 0.001 0.000 0.883 8 M CB 1.359 33.949 32.600 -0.017 0.000 1.620 8 M HN 0.705 nan 8.290 nan 0.000 0.511 9 D N 0.327 120.739 120.400 0.020 0.000 2.502 9 D HA -0.038 4.603 4.640 0.001 0.000 0.249 9 D C 0.923 177.249 176.300 0.044 0.000 1.188 9 D CA 0.526 54.549 54.000 0.038 0.000 0.890 9 D CB 0.763 41.591 40.800 0.046 0.000 1.140 9 D HN 0.595 nan 8.370 nan 0.000 0.505 10 S N 3.739 119.469 115.700 0.050 0.000 2.392 10 S HA -0.310 4.161 4.470 0.001 0.000 0.232 10 S C 1.809 176.420 174.600 0.017 0.000 1.041 10 S CA 1.111 59.330 58.200 0.031 0.000 1.026 10 S CB -0.478 62.748 63.200 0.045 0.000 0.845 10 S HN 0.722 nan 8.310 nan 0.000 0.465 11 H N 0.314 119.384 119.070 -0.000 0.000 2.529 11 H HA 0.276 4.832 4.556 0.001 0.000 0.277 11 H C 1.956 177.289 175.328 0.009 0.000 0.999 11 H CA 0.795 56.845 56.048 0.003 0.000 1.256 11 H CB 0.024 29.789 29.762 0.004 0.000 1.402 11 H HN 0.372 nan 8.280 nan 0.000 0.566 12 L N 0.069 121.345 121.223 0.089 0.000 2.131 12 L HA -0.114 4.226 4.340 0.001 0.000 0.206 12 L C 2.226 179.106 176.870 0.018 0.000 1.087 12 L CA 0.481 55.356 54.840 0.057 0.000 0.767 12 L CB 0.025 42.109 42.059 0.043 0.000 0.917 12 L HN 0.057 nan 8.230 nan 0.000 0.441 13 V N -0.409 119.496 119.914 -0.016 0.000 2.358 13 V HA -0.278 3.842 4.120 0.001 0.000 0.246 13 V C 2.273 178.339 176.094 -0.047 0.000 1.047 13 V CA 1.760 64.034 62.300 -0.043 0.000 1.035 13 V CB -0.439 31.348 31.823 -0.061 0.000 0.658 13 V HN 0.447 nan 8.190 nan 0.000 0.452 14 E N 0.135 120.281 120.200 -0.089 0.000 2.118 14 E HA -0.273 4.077 4.350 0.001 0.000 0.195 14 E C 2.325 178.882 176.600 -0.071 0.000 0.992 14 E CA 1.408 57.725 56.400 -0.137 0.000 0.804 14 E CB -0.098 29.400 29.700 -0.336 0.000 0.741 14 E HN 0.519 nan 8.360 nan 0.000 0.458 15 K N 0.466 120.856 120.400 -0.018 0.000 2.032 15 K HA -0.192 4.128 4.320 0.001 0.000 0.209 15 K C 2.121 178.790 176.600 0.115 0.000 1.048 15 K CA 1.234 57.550 56.287 0.050 0.000 0.927 15 K CB -0.099 32.461 32.500 0.099 0.000 0.712 15 K HN 0.140 nan 8.250 nan 0.000 0.441 16 L N -0.113 121.181 121.223 0.118 0.000 2.056 16 L HA -0.103 4.238 4.340 0.001 0.000 0.207 16 L C 2.614 179.569 176.870 0.142 0.000 1.078 16 L CA 1.379 56.320 54.840 0.167 0.000 0.749 16 L CB -0.764 41.331 42.059 0.061 0.000 0.901 16 L HN 0.436 nan 8.230 nan 0.000 0.433 17 G N -0.835 107.997 108.800 0.054 0.000 2.442 17 G HA2 -0.287 3.674 3.960 0.001 0.000 0.219 17 G HA3 -0.287 3.674 3.960 0.001 0.000 0.219 17 G C 1.496 176.420 174.900 0.039 0.000 1.141 17 G CA 0.483 45.601 45.100 0.030 0.000 0.763 17 G HN 0.385 nan 8.290 nan 0.000 0.554 18 Q N -0.690 119.117 119.800 0.012 0.000 2.224 18 Q HA -0.047 4.293 4.340 0.001 0.000 0.203 18 Q C 2.261 178.236 176.000 -0.042 0.000 0.970 18 Q CA 0.752 56.533 55.803 -0.037 0.000 0.865 18 Q CB -0.095 28.592 28.738 -0.086 0.000 0.922 18 Q HN 0.558 nan 8.270 nan 0.000 0.445 19 H N -0.238 118.873 119.070 0.068 0.000 2.423 19 H HA -0.040 4.517 4.556 0.001 0.000 0.297 19 H C 1.865 177.306 175.328 0.189 0.000 1.075 19 H CA 1.007 57.125 56.048 0.116 0.000 1.342 19 H CB 0.228 30.075 29.762 0.141 0.000 1.395 19 H HN 0.266 nan 8.280 nan 0.000 0.530 20 L N -0.059 121.329 121.223 0.275 0.000 2.240 20 L HA -0.130 4.210 4.340 0.001 0.000 0.211 20 L C 2.400 179.398 176.870 0.213 0.000 1.106 20 L CA 0.013 55.023 54.840 0.283 0.000 0.793 20 L CB -0.151 41.990 42.059 0.137 0.000 0.927 20 L HN 0.132 nan 8.230 nan 0.000 0.446 21 L N 1.243 122.524 121.223 0.097 0.000 2.043 21 L HA -0.141 4.200 4.340 0.001 0.000 0.212 21 L C -0.303 176.570 176.870 0.005 0.000 1.075 21 L CA 2.220 57.078 54.840 0.031 0.000 0.752 21 L CB -1.490 40.566 42.059 -0.006 0.000 0.891 21 L HN 0.158 nan 8.230 nan 0.000 0.432 22 P HA -0.162 nan 4.420 nan 0.000 0.230 22 P C 1.166 178.333 177.300 -0.221 0.000 1.158 22 P CA 1.235 64.229 63.100 -0.177 0.000 0.769 22 P CB -0.284 31.239 31.700 -0.295 0.000 0.807 23 W N -0.687 120.624 121.300 0.017 0.000 2.576 23 W HA 0.125 4.786 4.660 0.000 0.000 0.270 23 W C 2.123 178.683 176.519 0.069 0.000 1.255 23 W CA -0.000 57.372 57.345 0.046 0.000 1.314 23 W CB -0.558 28.932 29.460 0.051 0.000 1.101 23 W HN -0.225 nan 8.180 nan 0.000 0.595 24 M N 0.236 119.935 119.600 0.166 0.000 2.706 24 M HA -0.106 4.375 4.480 0.001 0.000 0.251 24 M C 0.174 176.626 176.300 0.253 0.000 1.070 24 M CA 1.369 56.730 55.300 0.101 0.000 1.073 24 M CB -0.772 31.837 32.600 0.016 0.000 1.449 24 M HN 0.072 nan 8.290 nan 0.000 0.531 25 D N -0.842 119.680 120.400 0.202 0.000 2.479 25 D HA 0.086 4.726 4.640 0.001 0.000 0.221 25 D C 0.661 177.047 176.300 0.144 0.000 1.104 25 D CA 0.079 54.165 54.000 0.143 0.000 0.849 25 D CB 0.546 41.373 40.800 0.046 0.000 1.072 25 D HN 0.240 nan 8.370 nan 0.000 0.502 26 R N 1.804 122.420 120.500 0.193 0.000 2.891 26 R HA 0.245 4.585 4.340 0.001 0.000 0.248 26 R C 0.883 177.348 176.300 0.275 0.000 1.439 26 R CA -0.058 56.145 56.100 0.171 0.000 1.288 26 R CB -0.338 30.015 30.300 0.088 0.000 1.212 26 R HN 0.013 nan 8.270 nan 0.000 0.605 27 L N 0.860 122.190 121.223 0.179 0.000 2.612 27 L HA 0.112 4.452 4.340 0.001 0.000 0.230 27 L C 0.963 177.882 176.870 0.082 0.000 1.140 27 L CA -0.093 54.807 54.840 0.100 0.000 0.896 27 L CB 0.069 42.172 42.059 0.072 0.000 1.065 27 L HN 0.361 nan 8.230 nan 0.000 0.447 28 S N 0.536 116.319 115.700 0.139 0.000 2.558 28 S HA -0.039 4.431 4.470 0.001 0.000 0.288 28 S C 1.210 175.874 174.600 0.107 0.000 1.318 28 S CA -0.515 57.764 58.200 0.132 0.000 1.056 28 S CB 0.775 64.099 63.200 0.207 0.000 0.853 28 S HN 0.275 nan 8.310 nan 0.000 0.505 29 L N 4.238 125.482 121.223 0.036 0.000 2.129 29 L HA -0.078 4.262 4.340 0.001 0.000 0.212 29 L C 1.892 178.743 176.870 -0.031 0.000 1.087 29 L CA 2.492 57.316 54.840 -0.026 0.000 0.757 29 L CB -0.879 41.137 42.059 -0.072 0.000 0.896 29 L HN 0.955 nan 8.230 nan 0.000 0.434 30 E N -3.306 116.891 120.200 -0.004 0.000 2.394 30 E HA 0.015 4.366 4.350 0.001 0.000 0.191 30 E C 0.841 177.341 176.600 -0.166 0.000 1.044 30 E CA 0.330 56.681 56.400 -0.082 0.000 0.939 30 E CB -0.237 29.406 29.700 -0.095 0.000 1.089 30 E HN 0.496 nan 8.360 nan 0.000 0.456 31 H N -0.514 118.614 119.070 0.098 0.000 3.854 31 H HA 0.252 4.809 4.556 0.001 0.000 0.264 31 H C -0.226 175.212 175.328 0.182 0.000 1.170 31 H CA -0.329 55.825 56.048 0.178 0.000 1.167 31 H CB 0.628 30.571 29.762 0.303 0.000 1.558 31 H HN 0.172 nan 8.280 nan 0.000 0.751 32 L N 2.344 123.692 121.223 0.208 0.000 2.410 32 L HA 0.093 4.433 4.340 0.001 0.000 0.273 32 L C 0.425 177.416 176.870 0.202 0.000 1.152 32 L CA 0.169 55.092 54.840 0.139 0.000 0.855 32 L CB 0.349 42.428 42.059 0.034 0.000 1.129 32 L HN 0.069 nan 8.230 nan 0.000 0.463 33 N N 4.825 123.698 118.700 0.288 0.000 2.617 33 N HA 0.299 5.040 4.740 0.001 0.000 0.263 33 N C -2.137 173.525 175.510 0.254 0.000 1.074 33 N CA -1.921 51.259 53.050 0.217 0.000 0.841 33 N CB 1.798 40.343 38.487 0.097 0.000 1.221 33 N HN 0.095 nan 8.380 nan 0.000 0.529 34 P HA -0.099 nan 4.420 nan 0.000 0.219 34 P C 1.217 178.590 177.300 0.122 0.000 1.146 34 P CA 0.917 64.066 63.100 0.081 0.000 0.808 34 P CB 0.489 32.148 31.700 -0.070 0.000 0.779 35 S N -1.431 114.327 115.700 0.098 0.000 2.387 35 S HA -0.068 4.402 4.470 0.001 0.000 0.226 35 S C 1.757 176.421 174.600 0.108 0.000 1.026 35 S CA 0.655 58.910 58.200 0.092 0.000 0.972 35 S CB -0.845 62.406 63.200 0.086 0.000 0.814 35 S HN -0.022 nan 8.310 nan 0.000 0.477 36 I N 0.065 120.694 120.570 0.098 0.000 2.113 36 I HA -0.186 3.984 4.170 0.001 0.000 0.238 36 I C 2.180 178.333 176.117 0.060 0.000 1.070 36 I CA 1.753 63.081 61.300 0.047 0.000 1.332 36 I CB -0.561 37.429 38.000 -0.016 0.000 1.044 36 I HN 0.376 nan 8.210 nan 0.000 0.402 37 Y N 1.426 121.738 120.300 0.021 0.000 2.081 37 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 37 Y C 2.501 178.412 175.900 0.018 0.000 1.163 37 Y CA 2.068 60.186 58.100 0.030 0.000 1.135 37 Y CB -0.450 38.099 38.460 0.149 0.000 0.970 37 Y HN -0.114 nan 8.280 nan 0.000 0.498 38 V N 0.210 120.222 119.914 0.163 0.000 2.332 38 V HA -0.322 3.799 4.120 0.001 0.000 0.248 38 V C 2.639 178.757 176.094 0.039 0.000 1.055 38 V CA 1.881 64.226 62.300 0.075 0.000 1.038 38 V CB -1.703 30.162 31.823 0.070 0.000 0.651 38 V HN 0.670 nan 8.190 nan 0.000 0.450 39 G N -0.147 108.689 108.800 0.060 0.000 2.491 39 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 39 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 39 G C 1.595 176.469 174.900 -0.042 0.000 1.180 39 G CA 1.313 46.434 45.100 0.035 0.000 0.774 39 G HN 0.443 nan 8.290 nan 0.000 0.562 40 L N -0.253 120.907 121.223 -0.104 0.000 1.976 40 L HA -0.074 4.266 4.340 0.001 0.000 0.209 40 L C 3.254 180.022 176.870 -0.170 0.000 1.071 40 L CA 1.087 55.840 54.840 -0.145 0.000 0.746 40 L CB -0.353 41.590 42.059 -0.193 0.000 0.890 40 L HN 0.095 nan 8.230 nan 0.000 0.432 41 R N 0.236 120.576 120.500 -0.267 0.000 2.139 41 R HA -0.142 4.199 4.340 0.001 0.000 0.243 41 R C 1.985 178.220 176.300 -0.109 0.000 1.145 41 R CA 1.302 57.265 56.100 -0.227 0.000 0.976 41 R CB -0.857 29.259 30.300 -0.306 0.000 0.866 41 R HN 0.422 nan 8.270 nan 0.000 0.449 42 L N 1.160 122.340 121.223 -0.071 0.000 2.558 42 L HA 0.040 4.380 4.340 0.001 0.000 0.225 42 L C 1.154 177.997 176.870 -0.046 0.000 1.128 42 L CA -0.108 54.714 54.840 -0.031 0.000 0.868 42 L CB -0.103 41.965 42.059 0.017 0.000 1.006 42 L HN 0.102 nan 8.230 nan 0.000 0.454 43 S N -1.380 114.282 115.700 -0.063 0.000 2.671 43 S HA 0.127 4.598 4.470 0.001 0.000 0.272 43 S C 1.206 175.768 174.600 -0.064 0.000 1.174 43 S CA -0.048 58.110 58.200 -0.070 0.000 1.004 43 S CB 1.341 64.499 63.200 -0.071 0.000 1.077 43 S HN 0.183 nan 8.310 nan 0.000 0.553 44 S N -0.523 115.137 115.700 -0.067 0.000 2.593 44 S HA 0.291 4.761 4.470 0.001 0.000 0.217 44 S C 0.243 174.812 174.600 -0.051 0.000 0.966 44 S CA -0.467 57.702 58.200 -0.052 0.000 0.914 44 S CB -0.879 62.290 63.200 -0.052 0.000 0.776 44 S HN 0.563 nan 8.310 nan 0.000 0.523 45 L N 1.403 122.591 121.223 -0.059 0.000 2.334 45 L HA 0.609 4.950 4.340 0.001 0.000 0.272 45 L C -0.239 176.594 176.870 -0.062 0.000 1.020 45 L CA -0.621 54.184 54.840 -0.058 0.000 0.812 45 L CB 1.716 43.740 42.059 -0.058 0.000 1.264 45 L HN 0.197 nan 8.230 nan 0.000 0.439 46 Q N 1.079 120.846 119.800 -0.055 0.000 2.285 46 Q HA 0.488 4.829 4.340 0.001 0.000 0.269 46 Q C -0.322 175.652 176.000 -0.043 0.000 1.030 46 Q CA -0.332 55.437 55.803 -0.057 0.000 0.788 46 Q CB 2.288 30.999 28.738 -0.045 0.000 1.266 46 Q HN 0.808 nan 8.270 nan 0.000 0.438 47 A N 3.521 126.314 122.820 -0.045 0.000 1.834 47 A HA 0.378 4.698 4.320 0.001 0.000 0.216 47 A C 1.017 178.595 177.584 -0.010 0.000 1.203 47 A CA 2.011 54.032 52.037 -0.026 0.000 0.621 47 A CB -0.791 18.195 19.000 -0.024 0.000 0.841 47 A HN 1.190 nan 8.150 nan 0.000 0.446 48 G N -3.533 105.268 108.800 0.001 0.000 2.366 48 G HA2 0.193 4.154 3.960 0.001 0.000 0.190 48 G HA3 0.193 4.154 3.960 0.001 0.000 0.190 48 G C 0.765 175.684 174.900 0.033 0.000 1.299 48 G CA 0.680 45.787 45.100 0.013 0.000 1.056 48 G HN 0.992 nan 8.290 nan 0.000 0.468 49 T N -0.226 114.350 114.554 0.036 0.000 2.867 49 T HA 0.001 4.352 4.350 0.001 0.000 0.268 49 T C 1.997 176.742 174.700 0.075 0.000 1.057 49 T CA 1.870 64.000 62.100 0.050 0.000 1.136 49 T CB -0.254 68.636 68.868 0.037 0.000 0.874 49 T HN 0.482 nan 8.240 nan 0.000 0.466 50 K N 1.396 121.841 120.400 0.075 0.000 2.127 50 K HA -0.181 4.139 4.320 0.001 0.000 0.208 50 K C 2.248 178.951 176.600 0.172 0.000 1.047 50 K CA 1.725 58.078 56.287 0.109 0.000 0.927 50 K CB -0.355 32.195 32.500 0.083 0.000 0.716 50 K HN 0.620 nan 8.250 nan 0.000 0.450 51 E N 0.923 121.213 120.200 0.151 0.000 2.033 51 E HA -0.204 4.147 4.350 0.001 0.000 0.199 51 E C 1.847 178.653 176.600 0.343 0.000 1.011 51 E CA 1.441 57.984 56.400 0.239 0.000 0.815 51 E CB -0.053 29.730 29.700 0.139 0.000 0.755 51 E HN 0.298 nan 8.360 nan 0.000 0.451 52 D N 0.483 121.023 120.400 0.232 0.000 2.123 52 D HA -0.168 4.472 4.640 0.001 0.000 0.196 52 D C 2.083 178.497 176.300 0.190 0.000 0.992 52 D CA 0.771 54.890 54.000 0.199 0.000 0.833 52 D CB -0.134 40.741 40.800 0.124 0.000 0.954 52 D HN 0.074 nan 8.370 nan 0.000 0.455 53 L N -0.088 121.241 121.223 0.177 0.000 2.141 53 L HA -0.165 4.176 4.340 0.001 0.000 0.209 53 L C 2.243 179.252 176.870 0.232 0.000 1.094 53 L CA 1.242 56.181 54.840 0.166 0.000 0.763 53 L CB -0.484 41.648 42.059 0.122 0.000 0.908 53 L HN -0.014 nan 8.230 nan 0.000 0.437 54 Y N -0.809 119.578 120.300 0.146 0.000 2.163 54 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 54 Y C 2.320 178.254 175.900 0.057 0.000 1.136 54 Y CA 2.007 60.191 58.100 0.140 0.000 1.147 54 Y CB -0.163 38.417 38.460 0.199 0.000 0.987 54 Y HN 0.274 nan 8.280 nan 0.000 0.509 55 L N -0.363 120.927 121.223 0.112 0.000 2.083 55 L HA -0.177 4.164 4.340 0.001 0.000 0.209 55 L C 2.345 179.173 176.870 -0.070 0.000 1.083 55 L CA 2.442 57.163 54.840 -0.198 0.000 0.752 55 L CB -0.969 40.899 42.059 -0.317 0.000 0.899 55 L HN 0.429 nan 8.230 nan 0.000 0.433 56 H N -1.258 117.789 119.070 -0.038 0.000 2.389 56 H HA -0.081 4.475 4.556 0.001 0.000 0.299 56 H C 2.083 177.396 175.328 -0.025 0.000 1.081 56 H CA 1.840 57.880 56.048 -0.014 0.000 1.345 56 H CB -0.039 29.731 29.762 0.014 0.000 1.393 56 H HN 0.407 nan 8.280 nan 0.000 0.520 57 S N 0.278 115.957 115.700 -0.035 0.000 2.383 57 S HA -0.086 4.384 4.470 0.001 0.000 0.227 57 S C 2.228 176.743 174.600 -0.142 0.000 1.026 57 S CA 1.085 59.223 58.200 -0.103 0.000 0.981 57 S CB -0.232 62.926 63.200 -0.070 0.000 0.818 57 S HN 0.351 nan 8.310 nan 0.000 0.472 58 L N 1.265 122.395 121.223 -0.155 0.000 1.989 58 L HA -0.170 4.170 4.340 0.001 0.000 0.211 58 L C 2.506 179.371 176.870 -0.009 0.000 1.071 58 L CA 1.415 56.208 54.840 -0.078 0.000 0.749 58 L CB -0.477 41.497 42.059 -0.141 0.000 0.890 58 L HN 0.254 nan 8.230 nan 0.000 0.431 59 K N -0.350 120.064 120.400 0.023 0.000 2.063 59 K HA -0.241 4.079 4.320 0.001 0.000 0.208 59 K C 1.976 178.512 176.600 -0.107 0.000 1.048 59 K CA 1.430 57.746 56.287 0.048 0.000 0.928 59 K CB -0.334 32.167 32.500 0.002 0.000 0.713 59 K HN 0.087 nan 8.250 nan 0.000 0.442 60 L N 0.645 121.739 121.223 -0.214 0.000 1.948 60 L HA -0.090 4.250 4.340 0.001 0.000 0.212 60 L C 2.228 179.016 176.870 -0.137 0.000 1.074 60 L CA 2.303 57.018 54.840 -0.209 0.000 0.753 60 L CB -1.169 40.720 42.059 -0.284 0.000 0.888 60 L HN 0.193 nan 8.230 nan 0.000 0.432 61 G N -1.711 107.023 108.800 -0.111 0.000 2.480 61 G HA2 -0.348 3.612 3.960 0.001 0.000 0.216 61 G HA3 -0.348 3.612 3.960 0.001 0.000 0.216 61 G C 1.467 176.261 174.900 -0.177 0.000 1.200 61 G CA 1.213 46.243 45.100 -0.117 0.000 0.782 61 G HN 0.492 nan 8.290 nan 0.000 0.554 62 Y N 0.969 121.057 120.300 -0.352 0.000 2.207 62 Y HA -0.113 4.437 4.550 0.001 0.000 0.287 62 Y C 3.199 178.844 175.900 -0.425 0.000 1.156 62 Y CA 1.802 59.605 58.100 -0.496 0.000 1.182 62 Y CB -0.091 37.780 38.460 -0.981 0.000 0.979 62 Y HN 0.295 nan 8.280 nan 0.000 0.521 63 Q N -0.797 118.879 119.800 -0.206 0.000 2.089 63 Q HA -0.190 4.150 4.340 0.001 0.000 0.195 63 Q C 2.245 178.176 176.000 -0.115 0.000 0.963 63 Q CA 0.907 56.626 55.803 -0.140 0.000 0.834 63 Q CB -0.219 28.470 28.738 -0.082 0.000 0.906 63 Q HN 0.506 nan 8.270 nan 0.000 0.452 64 Q N 0.112 119.844 119.800 -0.113 0.000 2.152 64 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 64 Q C 1.797 177.733 176.000 -0.107 0.000 0.985 64 Q CA 1.750 57.495 55.803 -0.096 0.000 0.863 64 Q CB 0.024 28.707 28.738 -0.092 0.000 0.904 64 Q HN 0.411 nan 8.270 nan 0.000 0.422 65 C N -0.839 118.375 119.300 -0.144 0.000 2.518 65 C HA 0.131 4.591 4.460 0.001 0.000 0.283 65 C C 2.302 177.203 174.990 -0.149 0.000 1.351 65 C CA -0.112 58.813 59.018 -0.155 0.000 1.745 65 C CB -0.481 27.134 27.740 -0.207 0.000 2.107 65 C HN 0.509 nan 8.230 nan 0.000 0.502 66 L N 0.631 121.757 121.223 -0.161 0.000 2.509 66 L HA 0.170 4.511 4.340 0.001 0.000 0.222 66 L C -0.211 176.597 176.870 -0.103 0.000 1.123 66 L CA 0.632 55.389 54.840 -0.137 0.000 0.856 66 L CB 0.034 42.007 42.059 -0.143 0.000 0.985 66 L HN 0.393 nan 8.230 nan 0.000 0.456 67 L N -2.913 118.255 121.223 -0.092 0.000 2.516 67 L HA 0.884 5.224 4.340 0.001 0.000 0.267 67 L C -0.429 176.404 176.870 -0.062 0.000 0.957 67 L CA -0.531 54.268 54.840 -0.070 0.000 0.860 67 L CB 1.618 43.647 42.059 -0.050 0.000 1.265 67 L HN -0.106 nan 8.230 nan 0.000 0.403 68 G N 1.548 110.314 108.800 -0.056 0.000 2.329 68 G HA2 0.500 4.461 3.960 0.001 0.000 0.234 68 G HA3 0.500 4.461 3.960 0.001 0.000 0.234 68 G C -0.635 174.239 174.900 -0.043 0.000 2.693 68 G CA -0.144 44.928 45.100 -0.046 0.000 1.036 68 G HN 1.589 nan 8.290 nan 0.000 0.602 69 S N -1.510 114.167 115.700 -0.039 0.000 2.697 69 S HA 0.819 5.289 4.470 0.001 0.000 0.313 69 S C 0.372 174.951 174.600 -0.036 0.000 0.954 69 S CA 0.091 58.272 58.200 -0.033 0.000 0.831 69 S CB 1.078 64.250 63.200 -0.047 0.000 1.030 69 S HN 1.903 nan 8.310 nan 0.000 0.466 70 A N 1.720 124.541 122.820 0.003 0.000 2.134 70 A HA 0.665 4.985 4.320 0.001 0.000 0.223 70 A C 0.698 178.250 177.584 -0.053 0.000 1.738 70 A CA 0.033 52.076 52.037 0.010 0.000 0.722 70 A CB -0.483 18.593 19.000 0.126 0.000 1.346 70 A HN 0.851 nan 8.150 nan 0.000 0.557 71 F N 1.777 121.707 119.950 -0.033 0.000 2.639 71 F HA 0.268 4.795 4.527 0.001 0.000 0.300 71 F C 0.894 176.676 175.800 -0.031 0.000 1.109 71 F CA 0.788 58.770 58.000 -0.031 0.000 1.335 71 F CB 0.253 39.238 39.000 -0.025 0.000 1.014 71 F HN 0.381 nan 8.300 nan 0.000 0.537 72 S N -0.026 115.715 115.700 0.067 0.000 3.278 72 S HA -0.294 4.177 4.470 0.001 0.000 0.857 72 S C -0.023 174.600 174.600 0.038 0.000 1.108 72 S CA 0.015 58.230 58.200 0.025 0.000 1.109 72 S CB -0.576 62.620 63.200 -0.007 0.000 0.774 72 S HN 0.460 nan 8.310 nan 0.000 0.261 73 E N 1.364 121.572 120.200 0.014 0.000 2.351 73 E HA 0.244 4.594 4.350 0.001 0.000 0.236 73 E C -0.011 176.591 176.600 0.004 0.000 1.341 73 E CA 0.379 56.785 56.400 0.010 0.000 1.579 73 E CB -0.728 28.972 29.700 -0.000 0.000 1.393 73 E HN 0.598 nan 8.360 nan 0.000 0.438 74 D N 1.223 121.628 120.400 0.009 0.000 2.708 74 D HA -0.218 4.422 4.640 0.001 0.000 0.236 74 D C -1.030 175.267 176.300 -0.005 0.000 1.146 74 D CA 1.730 55.732 54.000 0.005 0.000 0.662 74 D CB -1.195 39.608 40.800 0.005 0.000 1.059 74 D HN 0.620 nan 8.370 nan 0.000 0.428 75 D N -3.145 117.249 120.400 -0.010 0.000 2.450 75 D HA 0.625 5.265 4.640 0.001 0.000 0.238 75 D C 1.500 177.788 176.300 -0.020 0.000 1.020 75 D CA -0.451 53.540 54.000 -0.016 0.000 1.010 75 D CB 0.678 41.466 40.800 -0.020 0.000 1.342 75 D HN -0.091 nan 8.370 nan 0.000 0.530 76 G N -0.385 108.402 108.800 -0.022 0.000 2.547 76 G HA2 0.065 4.025 3.960 0.001 0.000 0.214 76 G HA3 0.065 4.025 3.960 0.001 0.000 0.214 76 G C -0.160 174.721 174.900 -0.031 0.000 1.254 76 G CA 0.681 45.766 45.100 -0.025 0.000 0.817 76 G HN 0.772 nan 8.290 nan 0.000 0.551 77 D N -1.294 119.085 120.400 -0.035 0.000 2.381 77 D HA 0.112 4.752 4.640 0.001 0.000 0.245 77 D C -0.234 176.037 176.300 -0.047 0.000 1.297 77 D CA -0.527 53.446 54.000 -0.044 0.000 0.931 77 D CB 0.328 41.100 40.800 -0.047 0.000 1.334 77 D HN 0.073 nan 8.370 nan 0.000 0.535 78 C N 1.472 120.744 119.300 -0.047 0.000 2.511 78 C HA 0.017 4.477 4.460 0.001 0.000 0.277 78 C C 1.539 176.497 174.990 -0.053 0.000 1.451 78 C CA 0.806 59.797 59.018 -0.044 0.000 1.735 78 C CB -1.153 26.564 27.740 -0.038 0.000 1.704 78 C HN 0.571 nan 8.230 nan 0.000 0.571 79 Q N -2.317 117.443 119.800 -0.067 0.000 2.330 79 Q HA 0.265 4.606 4.340 0.001 0.000 0.254 79 Q C 1.690 177.636 176.000 -0.091 0.000 0.777 79 Q CA 0.766 56.519 55.803 -0.083 0.000 0.972 79 Q CB 0.430 29.105 28.738 -0.106 0.000 1.236 79 Q HN 0.359 nan 8.270 nan 0.000 0.508 80 G N 1.285 110.033 108.800 -0.087 0.000 2.420 80 G HA2 -0.298 3.663 3.960 0.001 0.000 0.221 80 G HA3 -0.298 3.663 3.960 0.001 0.000 0.221 80 G C -0.290 174.543 174.900 -0.112 0.000 1.117 80 G CA -0.150 44.897 45.100 -0.088 0.000 0.657 80 G HN 0.087 nan 8.290 nan 0.000 0.512 81 K N -0.173 120.137 120.400 -0.149 0.000 7.055 81 K HA -0.096 4.225 4.320 0.001 0.000 0.623 81 K C -2.710 173.749 176.600 -0.236 0.000 2.571 81 K CA 0.482 56.653 56.287 -0.193 0.000 1.982 81 K CB -0.792 31.617 32.500 -0.152 0.000 2.344 81 K HN 0.438 nan 8.250 nan 0.000 0.202 82 P HA -0.003 nan 4.420 nan 0.000 0.268 82 P C -0.139 177.024 177.300 -0.228 0.000 1.205 82 P CA -0.249 62.621 63.100 -0.383 0.000 0.771 82 P CB 0.713 31.969 31.700 -0.740 0.000 0.858 83 S N 2.263 117.863 115.700 -0.167 0.000 2.584 83 S HA 0.100 4.570 4.470 0.001 0.000 0.270 83 S C 1.244 175.715 174.600 -0.214 0.000 1.346 83 S CA -0.345 57.759 58.200 -0.160 0.000 1.018 83 S CB 0.328 63.452 63.200 -0.127 0.000 0.899 83 S HN 0.200 nan 8.310 nan 0.000 0.542 84 M N 2.624 122.006 119.600 -0.363 0.000 2.213 84 M HA 0.105 4.586 4.480 0.001 0.000 0.263 84 M C 2.296 178.280 176.300 -0.527 0.000 1.062 84 M CA 1.810 56.782 55.300 -0.548 0.000 1.105 84 M CB -1.392 30.578 32.600 -1.049 0.000 1.385 84 M HN 0.979 nan 8.290 nan 0.000 0.417 85 G N -1.012 107.498 108.800 -0.484 0.000 2.440 85 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 85 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 85 G C 1.524 176.387 174.900 -0.061 0.000 1.154 85 G CA 0.724 45.709 45.100 -0.192 0.000 0.767 85 G HN 0.487 nan 8.290 nan 0.000 0.552 86 Q N -0.731 119.047 119.800 -0.037 0.000 2.119 86 Q HA 0.022 4.362 4.340 0.001 0.000 0.201 86 Q C 2.452 178.573 176.000 0.202 0.000 0.972 86 Q CA 0.949 56.811 55.803 0.098 0.000 0.847 86 Q CB -0.230 28.575 28.738 0.111 0.000 0.903 86 Q HN 0.444 nan 8.270 nan 0.000 0.433 87 L N 0.600 121.900 121.223 0.129 0.000 2.042 87 L HA -0.144 4.196 4.340 0.001 0.000 0.210 87 L C 2.106 179.034 176.870 0.097 0.000 1.076 87 L CA 2.084 57.018 54.840 0.157 0.000 0.749 87 L CB -0.796 41.284 42.059 0.036 0.000 0.893 87 L HN 0.129 nan 8.230 nan 0.000 0.432 88 A N -0.261 122.564 122.820 0.009 0.000 1.892 88 A HA -0.223 4.098 4.320 0.001 0.000 0.218 88 A C 2.324 179.891 177.584 -0.028 0.000 1.188 88 A CA 2.294 54.322 52.037 -0.015 0.000 0.631 88 A CB -1.039 17.943 19.000 -0.030 0.000 0.822 88 A HN 0.530 nan 8.150 nan 0.000 0.447 89 L N -2.134 119.078 121.223 -0.018 0.000 2.093 89 L HA -0.174 4.166 4.340 0.001 0.000 0.208 89 L C 2.579 179.395 176.870 -0.090 0.000 1.085 89 L CA 1.623 56.425 54.840 -0.064 0.000 0.755 89 L CB -0.546 41.500 42.059 -0.022 0.000 0.904 89 L HN 0.653 nan 8.230 nan 0.000 0.435 90 Y N 0.388 120.544 120.300 -0.240 0.000 2.207 90 Y HA -0.289 4.261 4.550 0.001 0.000 0.287 90 Y C 2.177 177.950 175.900 -0.212 0.000 1.156 90 Y CA 1.440 59.309 58.100 -0.384 0.000 1.182 90 Y CB -0.114 37.962 38.460 -0.640 0.000 0.979 90 Y HN 0.009 nan 8.280 nan 0.000 0.521 91 L N 0.040 121.137 121.223 -0.211 0.000 2.093 91 L HA -0.223 4.117 4.340 0.001 0.000 0.208 91 L C 2.342 179.206 176.870 -0.011 0.000 1.085 91 L CA 1.461 56.200 54.840 -0.169 0.000 0.755 91 L CB -0.855 41.136 42.059 -0.114 0.000 0.904 91 L HN 0.325 nan 8.230 nan 0.000 0.435 92 L N -1.455 119.702 121.223 -0.111 0.000 2.141 92 L HA -0.162 4.178 4.340 0.001 0.000 0.209 92 L C 2.656 179.442 176.870 -0.140 0.000 1.094 92 L CA 1.113 55.858 54.840 -0.157 0.000 0.763 92 L CB -1.195 40.701 42.059 -0.272 0.000 0.908 92 L HN 0.267 nan 8.230 nan 0.000 0.437 93 A N 0.786 123.508 122.820 -0.165 0.000 1.877 93 A HA -0.159 4.161 4.320 0.001 0.000 0.216 93 A C 2.329 179.813 177.584 -0.167 0.000 1.186 93 A CA 1.348 53.325 52.037 -0.100 0.000 0.620 93 A CB -0.689 18.173 19.000 -0.231 0.000 0.822 93 A HN 0.327 nan 8.150 nan 0.000 0.443 94 L N -0.937 120.081 121.223 -0.342 0.000 2.012 94 L HA -0.233 4.107 4.340 0.001 0.000 0.210 94 L C 2.875 179.635 176.870 -0.183 0.000 1.073 94 L CA 1.320 55.998 54.840 -0.271 0.000 0.748 94 L CB -0.472 41.433 42.059 -0.257 0.000 0.891 94 L HN 0.285 nan 8.230 nan 0.000 0.431 95 R N 0.052 120.418 120.500 -0.224 0.000 2.105 95 R HA -0.130 4.211 4.340 0.001 0.000 0.239 95 R C 2.221 178.422 176.300 -0.165 0.000 1.135 95 R CA 1.440 57.353 56.100 -0.311 0.000 0.967 95 R CB -1.122 28.970 30.300 -0.346 0.000 0.861 95 R HN 0.389 nan 8.270 nan 0.000 0.442 96 A N 1.045 123.834 122.820 -0.051 0.000 2.070 96 A HA -0.161 4.159 4.320 0.001 0.000 0.220 96 A C 1.680 179.302 177.584 0.063 0.000 1.159 96 A CA 1.574 53.629 52.037 0.030 0.000 0.656 96 A CB -0.383 18.692 19.000 0.125 0.000 0.800 96 A HN 0.297 nan 8.150 nan 0.000 0.453 97 N N -1.258 117.489 118.700 0.079 0.000 2.273 97 N HA 0.110 4.850 4.740 0.001 0.000 0.231 97 N C -0.299 175.197 175.510 -0.024 0.000 1.134 97 N CA 0.260 53.352 53.050 0.070 0.000 0.856 97 N CB -0.753 37.810 38.487 0.127 0.000 1.068 97 N HN 0.302 nan 8.380 nan 0.000 0.510 98 c N 0.909 119.452 118.600 -0.094 0.000 4.209 98 c HA -0.154 4.416 4.570 0.001 0.000 0.305 98 c C -0.264 173.705 174.090 -0.201 0.000 1.339 98 c CA 0.247 56.483 56.329 -0.154 0.000 2.062 98 c CB -2.552 39.919 42.510 -0.064 0.000 1.307 98 c HN 0.475 nan 8.230 nan 0.000 0.706 99 E N -1.165 118.855 120.200 -0.300 0.000 2.293 99 E HA 0.728 5.078 4.350 0.001 0.000 0.270 99 E C -0.581 175.790 176.600 -0.383 0.000 0.879 99 E CA -0.623 55.639 56.400 -0.231 0.000 0.756 99 E CB 1.497 31.146 29.700 -0.086 0.000 1.208 99 E HN 0.271 nan 8.360 nan 0.000 0.428 100 F N 0.786 120.764 119.950 0.047 0.000 2.470 100 F HA 0.224 4.751 4.527 0.001 0.000 0.329 100 F C 0.298 176.211 175.800 0.188 0.000 1.072 100 F CA -1.198 56.903 58.000 0.169 0.000 0.989 100 F CB 1.161 40.231 39.000 0.117 0.000 1.193 100 F HN 0.164 nan 8.300 nan 0.000 0.481 101 V N 1.172 121.334 119.914 0.414 0.000 2.486 101 V HA 0.132 4.253 4.120 0.001 0.000 0.290 101 V C -0.032 176.149 176.094 0.145 0.000 0.991 101 V CA -0.352 62.028 62.300 0.133 0.000 1.142 101 V CB -0.954 30.848 31.823 -0.036 0.000 0.926 101 V HN 0.696 nan 8.190 nan 0.000 0.472 102 R N 4.096 124.668 120.500 0.121 0.000 2.460 102 R HA 0.734 5.074 4.340 0.001 0.000 0.303 102 R C 0.711 177.070 176.300 0.099 0.000 0.968 102 R CA 0.268 56.435 56.100 0.111 0.000 0.889 102 R CB 1.789 32.155 30.300 0.111 0.000 1.123 102 R HN 1.402 nan 8.270 nan 0.000 0.455 103 G N 0.929 109.792 108.800 0.104 0.000 2.660 103 G HA2 -0.274 3.686 3.960 0.001 0.000 0.215 103 G HA3 -0.274 3.686 3.960 0.001 0.000 0.215 103 G C 0.049 175.047 174.900 0.163 0.000 1.345 103 G CA -0.243 44.950 45.100 0.156 0.000 0.877 103 G HN 0.745 nan 8.290 nan 0.000 0.549 104 H N 0.599 119.679 119.070 0.016 0.000 2.326 104 H HA 0.043 4.600 4.556 0.001 0.000 0.301 104 H C 2.642 177.972 175.328 0.004 0.000 1.081 104 H CA 1.962 58.016 56.048 0.008 0.000 1.334 104 H CB -0.192 29.572 29.762 0.003 0.000 1.385 104 H HN 0.578 nan 8.280 nan 0.000 0.504 105 K N -0.238 120.249 120.400 0.146 0.000 2.113 105 K HA -0.126 4.194 4.320 0.001 0.000 0.208 105 K C 2.374 179.007 176.600 0.055 0.000 1.047 105 K CA 1.238 57.568 56.287 0.071 0.000 0.928 105 K CB -0.363 32.168 32.500 0.051 0.000 0.716 105 K HN 0.361 nan 8.250 nan 0.000 0.446 106 G N 1.713 110.552 108.800 0.065 0.000 2.433 106 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 106 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 106 G C 0.909 175.820 174.900 0.018 0.000 1.186 106 G CA 1.128 46.255 45.100 0.044 0.000 0.779 106 G HN 0.173 nan 8.290 nan 0.000 0.543 107 D N 0.089 120.495 120.400 0.010 0.000 2.149 107 D HA -0.052 4.588 4.640 0.001 0.000 0.198 107 D C 2.686 178.982 176.300 -0.007 0.000 0.990 107 D CA 0.539 54.530 54.000 -0.015 0.000 0.839 107 D CB -0.063 40.698 40.800 -0.066 0.000 0.948 107 D HN 0.137 nan 8.370 nan 0.000 0.460 108 R N 0.062 120.564 120.500 0.003 0.000 2.066 108 R HA -0.009 4.331 4.340 0.001 0.000 0.232 108 R C 2.530 178.825 176.300 -0.009 0.000 1.131 108 R CA 0.512 56.608 56.100 -0.007 0.000 0.955 108 R CB -0.816 29.483 30.300 -0.003 0.000 0.851 108 R HN 0.296 nan 8.270 nan 0.000 0.432 109 L N 0.435 121.657 121.223 -0.002 0.000 1.994 109 L HA -0.177 4.164 4.340 0.001 0.000 0.208 109 L C 2.607 179.479 176.870 0.003 0.000 1.071 109 L CA 1.128 55.968 54.840 -0.000 0.000 0.745 109 L CB -0.676 41.394 42.059 0.018 0.000 0.892 109 L HN -0.031 nan 8.230 nan 0.000 0.431 110 V N -0.820 119.089 119.914 -0.009 0.000 2.282 110 V HA -0.368 3.752 4.120 0.001 0.000 0.249 110 V C 2.724 178.840 176.094 0.036 0.000 1.057 110 V CA 2.209 64.505 62.300 -0.006 0.000 1.032 110 V CB -0.566 31.248 31.823 -0.014 0.000 0.645 110 V HN 0.441 nan 8.190 nan 0.000 0.447 111 S N -1.385 114.340 115.700 0.041 0.000 2.370 111 S HA -0.286 4.185 4.470 0.001 0.000 0.226 111 S C 2.056 176.736 174.600 0.134 0.000 1.033 111 S CA 1.953 60.205 58.200 0.086 0.000 1.011 111 S CB -0.246 62.981 63.200 0.045 0.000 0.852 111 S HN 0.678 nan 8.310 nan 0.000 0.457 112 Q N -0.301 119.539 119.800 0.067 0.000 2.061 112 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 112 Q C 2.194 178.301 176.000 0.178 0.000 0.984 112 Q CA 1.502 57.354 55.803 0.081 0.000 0.846 112 Q CB -0.306 28.437 28.738 0.008 0.000 0.902 112 Q HN 0.442 nan 8.270 nan 0.000 0.421 113 L N 1.069 122.369 121.223 0.128 0.000 2.141 113 L HA -0.136 4.204 4.340 0.001 0.000 0.209 113 L C 1.789 178.778 176.870 0.198 0.000 1.094 113 L CA 1.694 56.628 54.840 0.156 0.000 0.763 113 L CB -0.116 41.984 42.059 0.067 0.000 0.908 113 L HN -0.004 nan 8.230 nan 0.000 0.437 114 K N -2.039 118.454 120.400 0.156 0.000 2.148 114 K HA -0.206 4.114 4.320 0.001 0.000 0.204 114 K C 1.900 178.583 176.600 0.139 0.000 1.050 114 K CA 1.741 58.095 56.287 0.111 0.000 0.942 114 K CB -0.338 32.218 32.500 0.093 0.000 0.724 114 K HN 0.310 nan 8.250 nan 0.000 0.446 115 W N 0.412 121.745 121.300 0.055 0.000 2.381 115 W HA -0.117 4.543 4.660 0.001 0.000 0.301 115 W C 1.986 178.560 176.519 0.092 0.000 1.205 115 W CA 0.892 58.272 57.345 0.058 0.000 1.285 115 W CB -0.410 29.081 29.460 0.052 0.000 1.133 115 W HN 0.005 nan 8.180 nan 0.000 0.521 116 F N 0.566 120.647 119.950 0.218 0.000 2.069 116 F HA -0.265 4.262 4.527 0.000 0.000 0.298 116 F C 1.972 177.816 175.800 0.075 0.000 1.113 116 F CA 2.008 60.091 58.000 0.138 0.000 1.214 116 F CB -0.941 38.115 39.000 0.093 0.000 0.978 116 F HN -0.236 nan 8.300 nan 0.000 0.474 117 L N -0.076 121.029 121.223 -0.197 0.000 2.131 117 L HA -0.194 4.146 4.340 0.001 0.000 0.210 117 L C 2.414 179.162 176.870 -0.203 0.000 1.092 117 L CA 1.642 56.271 54.840 -0.352 0.000 0.759 117 L CB -0.730 41.154 42.059 -0.293 0.000 0.903 117 L HN 0.203 nan 8.230 nan 0.000 0.435 118 E N 0.405 120.500 120.200 -0.175 0.000 2.072 118 E HA -0.190 4.160 4.350 0.001 0.000 0.190 118 E C 1.655 178.132 176.600 -0.205 0.000 0.982 118 E CA 1.239 57.511 56.400 -0.214 0.000 0.803 118 E CB 0.044 29.511 29.700 -0.387 0.000 0.755 118 E HN 0.357 nan 8.360 nan 0.000 0.453 119 D N 0.336 120.635 120.400 -0.167 0.000 2.144 119 D HA -0.129 4.511 4.640 0.001 0.000 0.200 119 D C 1.531 177.755 176.300 -0.127 0.000 0.978 119 D CA 0.869 54.822 54.000 -0.079 0.000 0.833 119 D CB -0.147 40.702 40.800 0.082 0.000 0.961 119 D HN 0.191 nan 8.370 nan 0.000 0.470 120 E N 0.359 120.420 120.200 -0.232 0.000 2.347 120 E HA -0.108 4.242 4.350 0.001 0.000 0.196 120 E C 1.765 178.218 176.600 -0.245 0.000 1.008 120 E CA 0.375 56.596 56.400 -0.299 0.000 0.852 120 E CB 0.067 29.556 29.700 -0.352 0.000 0.783 120 E HN 0.357 nan 8.360 nan 0.000 0.505 121 K N 0.711 121.036 120.400 -0.126 0.000 2.186 121 K HA -0.005 4.315 4.320 0.001 0.000 0.202 121 K C 1.930 178.437 176.600 -0.155 0.000 1.052 121 K CA 0.239 56.460 56.287 -0.110 0.000 0.965 121 K CB 0.305 32.791 32.500 -0.024 0.000 0.746 121 K HN -0.091 nan 8.250 nan 0.000 0.457 122 R N 0.284 120.696 120.500 -0.148 0.000 2.073 122 R HA -0.020 4.321 4.340 0.001 0.000 0.229 122 R C 2.293 178.495 176.300 -0.164 0.000 1.120 122 R CA 1.118 57.143 56.100 -0.126 0.000 0.967 122 R CB -0.591 29.657 30.300 -0.086 0.000 0.862 122 R HN 0.189 nan 8.270 nan 0.000 0.436 123 A N 1.625 124.298 122.820 -0.245 0.000 1.948 123 A HA -0.151 4.169 4.320 0.001 0.000 0.220 123 A C 2.274 179.651 177.584 -0.346 0.000 1.177 123 A CA 1.367 53.167 52.037 -0.396 0.000 0.636 123 A CB -0.516 17.962 19.000 -0.870 0.000 0.815 123 A HN 0.197 nan 8.150 nan 0.000 0.449 124 I N -0.893 119.469 120.570 -0.347 0.000 2.286 124 I HA 0.065 4.236 4.170 0.001 0.000 0.245 124 I C 1.406 177.311 176.117 -0.353 0.000 1.104 124 I CA 0.808 61.903 61.300 -0.341 0.000 1.397 124 I CB -0.772 37.028 38.000 -0.335 0.000 1.072 124 I HN 0.483 nan 8.210 nan 0.000 0.417 125 G N 3.575 112.195 108.800 -0.299 0.000 3.144 125 G HA2 -0.212 3.749 3.960 0.001 0.000 0.247 125 G HA3 -0.212 3.749 3.960 0.001 0.000 0.247 125 G C 0.296 174.835 174.900 -0.602 0.000 0.899 125 G CA 0.197 45.117 45.100 -0.301 0.000 0.822 125 G HN 0.883 nan 8.290 nan 0.000 0.362 126 H N -0.075 118.935 119.070 -0.099 0.000 1.452 126 H HA -0.223 4.334 4.556 0.001 0.000 0.090 126 H C 0.217 175.445 175.328 -0.166 0.000 2.582 126 H CA 1.195 57.177 56.048 -0.111 0.000 1.901 126 H CB -0.809 28.899 29.762 -0.090 0.000 2.257 126 H HN 0.471 nan 8.280 nan 0.000 0.961 127 D N 0.747 121.124 120.400 -0.039 0.000 2.370 127 D HA 0.223 4.863 4.640 0.001 0.000 0.230 127 D C 0.068 176.096 176.300 -0.453 0.000 1.143 127 D CA 0.770 54.528 54.000 -0.404 0.000 0.834 127 D CB -0.084 40.365 40.800 -0.584 0.000 0.944 127 D HN 0.390 nan 8.370 nan 0.000 0.504 128 H N 0.201 119.091 119.070 -0.301 0.000 3.079 128 H HA 0.175 4.732 4.556 0.000 0.000 0.356 128 H C -0.763 174.425 175.328 -0.235 0.000 1.221 128 H CA -0.722 55.238 56.048 -0.147 0.000 1.185 128 H CB 1.075 30.868 29.762 0.051 0.000 1.882 128 H HN -0.200 nan 8.280 nan 0.000 0.543 129 K N 1.610 121.710 120.400 -0.501 0.000 6.236 129 K HA -0.132 4.189 4.320 0.001 0.000 0.607 129 K C -0.526 175.851 176.600 -0.372 0.000 1.570 129 K CA 1.324 57.376 56.287 -0.392 0.000 1.551 129 K CB -1.060 31.349 32.500 -0.151 0.000 1.812 129 K HN 1.087 nan 8.250 nan 0.000 0.338 130 G N 2.014 110.518 108.800 -0.493 0.000 2.397 130 G HA2 0.121 4.081 3.960 0.001 0.000 0.453 130 G HA3 0.121 4.081 3.960 0.001 0.000 0.453 130 G C -1.498 173.084 174.900 -0.529 0.000 1.579 130 G CA -1.032 43.798 45.100 -0.450 0.000 0.906 130 G HN 0.470 nan 8.290 nan 0.000 0.675 131 H N 1.890 120.827 119.070 -0.221 0.000 2.567 131 H HA 0.718 5.274 4.556 0.001 0.000 0.345 131 H C -1.917 173.172 175.328 -0.398 0.000 1.169 131 H CA -1.483 54.411 56.048 -0.257 0.000 1.227 131 H CB 1.542 31.148 29.762 -0.261 0.000 1.607 131 H HN 0.502 nan 8.280 nan 0.000 0.534 132 P HA 0.002 nan 4.420 nan 0.000 0.272 132 P C -0.035 177.104 177.300 -0.268 0.000 1.223 132 P CA 0.099 62.916 63.100 -0.473 0.000 0.784 132 P CB 1.152 32.507 31.700 -0.574 0.000 0.923 133 H N -0.443 118.575 119.070 -0.087 0.000 2.423 133 H HA -0.094 4.462 4.556 0.001 0.000 0.297 133 H C 1.863 177.224 175.328 0.055 0.000 1.075 133 H CA 2.072 58.115 56.048 -0.008 0.000 1.342 133 H CB -0.149 29.630 29.762 0.029 0.000 1.395 133 H HN 0.545 nan 8.280 nan 0.000 0.530 134 T N -1.720 112.950 114.554 0.193 0.000 3.356 134 T HA 0.201 4.551 4.350 0.001 0.000 0.220 134 T C 0.686 175.490 174.700 0.172 0.000 0.963 134 T CA 0.217 62.451 62.100 0.223 0.000 1.540 134 T CB 0.169 69.246 68.868 0.349 0.000 1.320 134 T HN 0.312 nan 8.240 nan 0.000 0.448 135 S N -0.896 114.894 115.700 0.151 0.000 2.586 135 S HA 0.371 4.841 4.470 0.001 0.000 0.277 135 S C -0.314 174.376 174.600 0.151 0.000 1.131 135 S CA -0.885 57.407 58.200 0.155 0.000 0.848 135 S CB 0.131 63.485 63.200 0.257 0.000 1.091 135 S HN 0.288 nan 8.310 nan 0.000 0.453 136 Y N 0.357 120.760 120.300 0.171 0.000 2.465 136 Y HA -0.100 4.451 4.550 0.001 0.000 0.289 136 Y C 2.041 178.086 175.900 0.241 0.000 1.150 136 Y CA 1.940 60.130 58.100 0.150 0.000 1.293 136 Y CB -0.496 38.008 38.460 0.073 0.000 0.977 136 Y HN 0.875 nan 8.280 nan 0.000 0.556 137 Y N 0.653 121.121 120.300 0.281 0.000 2.133 137 Y HA -0.264 4.286 4.550 0.001 0.000 0.287 137 Y C 2.294 178.303 175.900 0.180 0.000 1.134 137 Y CA 1.834 60.055 58.100 0.202 0.000 1.133 137 Y CB -0.404 38.153 38.460 0.160 0.000 0.987 137 Y HN 0.089 nan 8.280 nan 0.000 0.502 138 Q N -1.439 118.620 119.800 0.433 0.000 2.167 138 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 138 Q C 1.976 178.159 176.000 0.306 0.000 0.970 138 Q CA 1.664 57.673 55.803 0.343 0.000 0.855 138 Q CB -0.404 28.569 28.738 0.392 0.000 0.911 138 Q HN 0.634 nan 8.270 nan 0.000 0.438 139 Y N 0.503 120.895 120.300 0.154 0.000 2.128 139 Y HA -0.209 4.341 4.550 0.001 0.000 0.284 139 Y C 2.235 178.136 175.900 0.002 0.000 1.154 139 Y CA 1.867 59.996 58.100 0.047 0.000 1.149 139 Y CB -0.557 37.884 38.460 -0.033 0.000 0.976 139 Y HN 0.104 nan 8.280 nan 0.000 0.505 140 G N -0.445 108.419 108.800 0.106 0.000 2.408 140 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 140 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 140 G C 1.522 176.314 174.900 -0.180 0.000 1.150 140 G CA 0.963 46.000 45.100 -0.105 0.000 0.776 140 G HN 0.428 nan 8.290 nan 0.000 0.542 141 L N 1.381 122.509 121.223 -0.158 0.000 2.240 141 L HA 0.287 4.627 4.340 0.001 0.000 0.211 141 L C 2.657 179.480 176.870 -0.078 0.000 1.106 141 L CA 1.814 56.569 54.840 -0.142 0.000 0.793 141 L CB -0.693 41.289 42.059 -0.129 0.000 0.927 141 L HN 0.131 nan 8.230 nan 0.000 0.446 142 G N -0.029 108.752 108.800 -0.032 0.000 2.414 142 G HA2 -0.227 3.733 3.960 0.001 0.000 0.215 142 G HA3 -0.227 3.733 3.960 0.001 0.000 0.215 142 G C 1.617 176.455 174.900 -0.104 0.000 1.188 142 G CA 1.094 46.187 45.100 -0.012 0.000 0.783 142 G HN 0.419 nan 8.290 nan 0.000 0.537 143 I N 0.323 120.776 120.570 -0.196 0.000 2.163 143 I HA -0.177 3.993 4.170 0.001 0.000 0.243 143 I C 2.634 178.655 176.117 -0.159 0.000 1.085 143 I CA 0.931 62.108 61.300 -0.205 0.000 1.347 143 I CB -0.263 37.586 38.000 -0.251 0.000 1.044 143 I HN 0.207 nan 8.210 nan 0.000 0.408 144 L N 1.284 122.418 121.223 -0.148 0.000 2.012 144 L HA -0.187 4.153 4.340 0.001 0.000 0.210 144 L C 2.560 179.377 176.870 -0.088 0.000 1.073 144 L CA 2.214 56.987 54.840 -0.113 0.000 0.748 144 L CB -0.873 41.123 42.059 -0.106 0.000 0.891 144 L HN 0.193 nan 8.230 nan 0.000 0.431 145 A N -0.155 122.619 122.820 -0.077 0.000 1.851 145 A HA -0.214 4.106 4.320 0.001 0.000 0.216 145 A C 2.270 179.865 177.584 0.017 0.000 1.195 145 A CA 2.329 54.349 52.037 -0.028 0.000 0.622 145 A CB -1.147 17.835 19.000 -0.031 0.000 0.831 145 A HN 0.529 nan 8.150 nan 0.000 0.444 146 L N -0.939 120.260 121.223 -0.040 0.000 2.131 146 L HA -0.214 4.126 4.340 0.001 0.000 0.210 146 L C 2.784 179.581 176.870 -0.122 0.000 1.092 146 L CA 1.208 56.017 54.840 -0.052 0.000 0.759 146 L CB -0.702 41.300 42.059 -0.094 0.000 0.903 146 L HN 0.682 nan 8.230 nan 0.000 0.435 147 c N 0.234 118.716 118.600 -0.198 0.000 2.422 147 c HA -0.120 4.450 4.570 0.001 0.000 0.279 147 c C 2.604 176.621 174.090 -0.121 0.000 1.305 147 c CA 0.593 56.738 56.329 -0.307 0.000 1.757 147 c CB -0.753 41.633 42.510 -0.207 0.000 1.962 147 c HN 0.458 nan 8.230 nan 0.000 0.499 148 L N -0.918 120.276 121.223 -0.049 0.000 2.395 148 L HA 0.013 4.354 4.340 0.001 0.000 0.218 148 L C 1.926 178.772 176.870 -0.041 0.000 1.130 148 L CA 0.894 55.697 54.840 -0.061 0.000 0.826 148 L CB -0.634 41.358 42.059 -0.113 0.000 0.941 148 L HN 0.487 nan 8.230 nan 0.000 0.451 149 H N 0.305 119.422 119.070 0.078 0.000 2.505 149 H HA 0.123 4.680 4.556 0.001 0.000 0.289 149 H C 0.137 175.564 175.328 0.164 0.000 1.052 149 H CA -0.082 56.117 56.048 0.252 0.000 1.156 149 H CB 0.636 30.485 29.762 0.144 0.000 1.507 149 H HN 0.226 nan 8.280 nan 0.000 0.548 150 Q N 0.648 120.548 119.800 0.166 0.000 2.463 150 Q HA -0.171 4.169 4.340 0.001 0.000 0.299 150 Q C -0.595 175.444 176.000 0.064 0.000 1.353 150 Q CA 0.776 56.681 55.803 0.171 0.000 0.828 150 Q CB -1.261 27.548 28.738 0.118 0.000 1.157 150 Q HN 0.416 nan 8.270 nan 0.000 0.436 151 K N 0.961 121.281 120.400 -0.134 0.000 2.376 151 K HA 0.466 4.787 4.320 0.001 0.000 0.257 151 K C 0.540 176.933 176.600 -0.345 0.000 0.939 151 K CA -0.545 55.668 56.287 -0.125 0.000 0.809 151 K CB 1.807 34.278 32.500 -0.048 0.000 1.121 151 K HN 0.293 nan 8.250 nan 0.000 0.425 152 R N 0.036 120.416 120.500 -0.199 0.000 2.536 152 R HA 0.636 4.977 4.340 0.001 0.000 0.279 152 R C 0.372 176.634 176.300 -0.063 0.000 1.001 152 R CA -0.959 55.027 56.100 -0.189 0.000 1.027 152 R CB 0.617 31.020 30.300 0.172 0.000 1.096 152 R HN 0.291 nan 8.270 nan 0.000 0.502 153 V N -2.213 117.672 119.914 -0.049 0.000 2.881 153 V HA 0.342 4.462 4.120 0.001 0.000 0.316 153 V C 0.299 176.445 176.094 0.087 0.000 1.070 153 V CA -1.076 61.225 62.300 0.003 0.000 0.976 153 V CB 1.536 33.329 31.823 -0.051 0.000 1.038 153 V HN 0.872 nan 8.190 nan 0.000 0.446 154 H N 0.983 120.045 119.070 -0.012 0.000 2.852 154 H HA 0.059 4.615 4.556 0.001 0.000 0.362 154 H C 0.465 175.805 175.328 0.020 0.000 1.122 154 H CA 0.625 56.676 56.048 0.005 0.000 1.419 154 H CB 1.360 31.115 29.762 -0.012 0.000 1.401 154 H HN 0.940 nan 8.280 nan 0.000 0.609 155 D N 1.594 121.764 120.400 -0.385 0.000 2.182 155 D HA -0.198 4.442 4.640 0.001 0.000 0.201 155 D C 2.139 178.264 176.300 -0.291 0.000 0.986 155 D CA 1.850 55.677 54.000 -0.288 0.000 0.847 155 D CB 0.005 40.659 40.800 -0.242 0.000 0.942 155 D HN 0.551 nan 8.370 nan 0.000 0.467 156 S N -0.284 115.109 115.700 -0.512 0.000 2.419 156 S HA -0.133 4.337 4.470 0.001 0.000 0.233 156 S C 2.078 176.652 174.600 -0.043 0.000 1.016 156 S CA 0.678 58.755 58.200 -0.206 0.000 0.974 156 S CB -0.559 62.568 63.200 -0.121 0.000 0.786 156 S HN 0.140 nan 8.310 nan 0.000 0.492 157 V N 1.724 121.627 119.914 -0.018 0.000 2.323 157 V HA -0.092 4.028 4.120 0.001 0.000 0.244 157 V C 2.630 178.804 176.094 0.134 0.000 1.041 157 V CA 1.441 63.779 62.300 0.064 0.000 1.025 157 V CB -0.832 30.977 31.823 -0.024 0.000 0.656 157 V HN 0.448 nan 8.190 nan 0.000 0.451 158 V N 0.240 120.199 119.914 0.077 0.000 2.392 158 V HA -0.276 3.844 4.120 0.001 0.000 0.249 158 V C 2.325 178.536 176.094 0.196 0.000 1.059 158 V CA 2.062 64.454 62.300 0.153 0.000 1.051 158 V CB -0.837 31.067 31.823 0.135 0.000 0.658 158 V HN 0.533 nan 8.190 nan 0.000 0.455 159 D N 0.289 120.753 120.400 0.106 0.000 2.133 159 D HA -0.217 4.424 4.640 0.001 0.000 0.192 159 D C 2.225 178.602 176.300 0.128 0.000 1.001 159 D CA 1.569 55.622 54.000 0.088 0.000 0.844 159 D CB -0.147 40.666 40.800 0.021 0.000 0.944 159 D HN 0.336 nan 8.370 nan 0.000 0.447 160 K N 0.173 120.653 120.400 0.133 0.000 2.097 160 K HA -0.062 4.258 4.320 0.001 0.000 0.205 160 K C 1.906 178.586 176.600 0.133 0.000 1.050 160 K CA 0.159 56.494 56.287 0.079 0.000 0.938 160 K CB -0.513 31.958 32.500 -0.048 0.000 0.718 160 K HN 0.061 nan 8.250 nan 0.000 0.442 161 L N 0.458 121.864 121.223 0.305 0.000 2.056 161 L HA -0.036 4.305 4.340 0.001 0.000 0.207 161 L C 1.660 178.733 176.870 0.337 0.000 1.078 161 L CA 1.399 56.434 54.840 0.325 0.000 0.749 161 L CB -0.326 41.950 42.059 0.362 0.000 0.901 161 L HN 0.121 nan 8.230 nan 0.000 0.433 162 L N -1.869 119.565 121.223 0.351 0.000 2.012 162 L HA -0.298 4.043 4.340 0.001 0.000 0.210 162 L C 2.455 179.348 176.870 0.038 0.000 1.073 162 L CA 1.850 56.785 54.840 0.159 0.000 0.748 162 L CB -0.818 41.275 42.059 0.056 0.000 0.891 162 L HN 0.299 nan 8.230 nan 0.000 0.431 163 Y N 0.176 120.427 120.300 -0.082 0.000 2.242 163 Y HA -0.221 4.329 4.550 0.001 0.000 0.291 163 Y C 2.481 178.162 175.900 -0.364 0.000 1.137 163 Y CA 1.195 59.198 58.100 -0.162 0.000 1.181 163 Y CB -0.150 38.234 38.460 -0.126 0.000 0.989 163 Y HN 0.121 nan 8.280 nan 0.000 0.527 164 A N -0.945 121.594 122.820 -0.468 0.000 2.019 164 A HA -0.142 4.178 4.320 0.001 0.000 0.219 164 A C 2.259 179.505 177.584 -0.563 0.000 1.164 164 A CA 1.704 53.095 52.037 -1.075 0.000 0.644 164 A CB -1.183 16.944 19.000 -1.455 0.000 0.805 164 A HN 0.337 nan 8.150 nan 0.000 0.449 165 V N -0.072 119.693 119.914 -0.249 0.000 2.295 165 V HA -0.270 3.850 4.120 0.001 0.000 0.246 165 V C 2.268 178.315 176.094 -0.078 0.000 1.049 165 V CA 2.196 64.450 62.300 -0.077 0.000 1.024 165 V CB -0.807 31.012 31.823 -0.008 0.000 0.648 165 V HN 0.645 nan 8.190 nan 0.000 0.447 166 E N 0.093 120.189 120.200 -0.173 0.000 1.983 166 E HA -0.160 4.190 4.350 0.001 0.000 0.208 166 E C -0.611 175.973 176.600 -0.027 0.000 1.006 166 E CA 1.724 58.043 56.400 -0.135 0.000 0.872 166 E CB -1.187 28.365 29.700 -0.246 0.000 0.806 166 E HN 0.557 nan 8.360 nan 0.000 0.510 167 P HA 0.096 nan 4.420 nan 0.000 0.311 167 P C -0.178 177.297 177.300 0.292 0.000 1.395 167 P CA -0.273 62.907 63.100 0.134 0.000 0.860 167 P CB 0.098 31.875 31.700 0.128 0.000 2.148 168 F N -3.090 116.826 119.950 -0.058 0.000 2.174 168 F HA -0.241 4.286 4.527 0.000 0.000 0.316 168 F C 0.442 176.234 175.800 -0.013 0.000 0.129 168 F CA 1.363 59.282 58.000 -0.136 0.000 0.907 168 F CB -1.963 36.802 39.000 -0.391 0.000 4.109 168 F HN 0.466 nan 8.300 nan 0.000 0.156 169 H N -0.451 118.749 119.070 0.217 0.000 4.004 169 H HA -0.028 4.528 4.556 0.001 0.000 0.291 169 H C -0.563 174.835 175.328 0.116 0.000 0.724 169 H CA 0.672 56.818 56.048 0.163 0.000 0.836 169 H CB -0.785 29.063 29.762 0.142 0.000 1.308 169 H HN 0.489 nan 8.280 nan 0.000 0.319 170 Q N 0.327 120.268 119.800 0.235 0.000 2.309 170 Q HA 0.555 4.896 4.340 0.001 0.000 0.273 170 Q C -0.109 175.996 176.000 0.175 0.000 1.040 170 Q CA 0.141 56.048 55.803 0.174 0.000 0.834 170 Q CB 2.661 31.476 28.738 0.128 0.000 1.345 170 Q HN 1.047 nan 8.270 nan 0.000 0.414 171 G N 2.353 111.242 108.800 0.148 0.000 2.999 171 G HA2 -0.235 3.725 3.960 0.001 0.000 0.686 171 G HA3 -0.235 3.725 3.960 0.001 0.000 0.686 171 G C 0.525 175.456 174.900 0.053 0.000 1.057 171 G CA 0.163 45.343 45.100 0.134 0.000 0.784 171 G HN 1.147 nan 8.290 nan 0.000 0.575 172 H N 1.505 120.619 119.070 0.074 0.000 2.436 172 H HA -0.393 4.163 4.556 0.001 0.000 0.275 172 H C 1.687 177.014 175.328 -0.002 0.000 1.142 172 H CA 2.953 59.001 56.048 -0.000 0.000 1.083 172 H CB -0.590 29.120 29.762 -0.086 0.000 1.349 172 H HN 0.882 nan 8.280 nan 0.000 0.468 173 H N 0.724 119.515 119.070 -0.465 0.000 2.319 173 H HA -0.153 4.403 4.556 0.001 0.000 0.297 173 H C 2.844 178.182 175.328 0.017 0.000 1.097 173 H CA 2.113 58.029 56.048 -0.220 0.000 1.285 173 H CB -0.265 29.330 29.762 -0.277 0.000 1.368 173 H HN 0.480 nan 8.280 nan 0.000 0.495 174 S N 0.019 115.837 115.700 0.197 0.000 2.429 174 S HA -0.268 4.202 4.470 0.001 0.000 0.251 174 S C 2.273 176.820 174.600 -0.087 0.000 1.104 174 S CA 1.923 60.164 58.200 0.068 0.000 1.130 174 S CB -0.768 62.484 63.200 0.087 0.000 1.000 174 S HN 0.253 nan 8.310 nan 0.000 0.449 175 V N 1.530 121.456 119.914 0.021 0.000 2.515 175 V HA -0.125 3.996 4.120 0.001 0.000 0.250 175 V C 2.028 178.153 176.094 0.051 0.000 1.058 175 V CA 2.226 64.546 62.300 0.032 0.000 1.064 175 V CB -0.956 30.934 31.823 0.112 0.000 0.675 175 V HN 0.555 nan 8.190 nan 0.000 0.461 176 D N -0.219 120.255 120.400 0.123 0.000 2.120 176 D HA -0.112 4.528 4.640 0.001 0.000 0.202 176 D C 2.258 178.716 176.300 0.263 0.000 0.972 176 D CA 1.604 55.733 54.000 0.216 0.000 0.837 176 D CB -0.531 40.424 40.800 0.258 0.000 0.989 176 D HN 0.345 nan 8.370 nan 0.000 0.469 177 T N 0.466 115.186 114.554 0.277 0.000 2.746 177 T HA -0.141 4.210 4.350 0.001 0.000 0.267 177 T C 2.083 176.794 174.700 0.018 0.000 1.039 177 T CA 1.337 63.599 62.100 0.271 0.000 1.142 177 T CB -0.465 68.641 68.868 0.397 0.000 0.866 177 T HN 0.202 nan 8.240 nan 0.000 0.444 178 A N 1.747 124.486 122.820 -0.134 0.000 1.865 178 A HA 0.110 4.430 4.320 0.001 0.000 0.217 178 A C 2.714 180.118 177.584 -0.300 0.000 1.191 178 A CA 1.963 53.858 52.037 -0.237 0.000 0.623 178 A CB -1.288 17.548 19.000 -0.274 0.000 0.826 178 A HN 0.522 nan 8.150 nan 0.000 0.444 179 A N -1.208 121.475 122.820 -0.229 0.000 1.908 179 A HA -0.139 4.181 4.320 0.001 0.000 0.218 179 A C 2.202 179.668 177.584 -0.197 0.000 1.181 179 A CA 2.434 54.320 52.037 -0.252 0.000 0.627 179 A CB -0.518 18.459 19.000 -0.038 0.000 0.818 179 A HN 0.568 nan 8.150 nan 0.000 0.445 180 M N 0.242 119.757 119.600 -0.142 0.000 2.059 180 M HA -0.007 4.473 4.480 0.001 0.000 0.259 180 M C 2.238 178.386 176.300 -0.253 0.000 1.072 180 M CA 1.865 57.033 55.300 -0.220 0.000 1.117 180 M CB -0.917 31.380 32.600 -0.504 0.000 1.320 180 M HN 0.376 nan 8.290 nan 0.000 0.408 181 A N -0.353 122.312 122.820 -0.259 0.000 1.892 181 A HA -0.102 4.218 4.320 0.001 0.000 0.218 181 A C 2.382 179.691 177.584 -0.457 0.000 1.188 181 A CA 2.180 53.990 52.037 -0.378 0.000 0.631 181 A CB -1.955 16.928 19.000 -0.195 0.000 0.822 181 A HN 0.659 nan 8.150 nan 0.000 0.447 182 G N -0.386 108.218 108.800 -0.327 0.000 2.446 182 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 182 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 182 G C 1.583 176.531 174.900 0.079 0.000 1.168 182 G CA 1.119 46.016 45.100 -0.337 0.000 0.771 182 G HN 0.448 nan 8.290 nan 0.000 0.551 183 L N 0.599 121.856 121.223 0.058 0.000 2.017 183 L HA -0.069 4.271 4.340 0.001 0.000 0.208 183 L C 3.465 180.368 176.870 0.054 0.000 1.073 183 L CA 1.025 55.965 54.840 0.166 0.000 0.745 183 L CB -0.462 41.674 42.059 0.129 0.000 0.894 183 L HN 0.320 nan 8.230 nan 0.000 0.432 184 A N 0.197 122.946 122.820 -0.118 0.000 1.873 184 A HA -0.256 4.064 4.320 0.001 0.000 0.218 184 A C 2.008 179.544 177.584 -0.081 0.000 1.193 184 A CA 1.900 53.825 52.037 -0.187 0.000 0.629 184 A CB -0.921 17.844 19.000 -0.392 0.000 0.826 184 A HN 0.299 nan 8.150 nan 0.000 0.447 185 F N 0.658 120.641 119.950 0.055 0.000 2.095 185 F HA -0.147 4.380 4.527 0.000 0.000 0.298 185 F C 2.802 178.661 175.800 0.099 0.000 1.104 185 F CA 1.560 59.603 58.000 0.072 0.000 1.232 185 F CB -1.512 37.528 39.000 0.066 0.000 0.987 185 F HN 0.148 nan 8.300 nan 0.000 0.475 186 T N -0.569 114.172 114.554 0.312 0.000 2.624 186 T HA -0.330 4.021 4.350 0.001 0.000 0.268 186 T C 2.281 177.078 174.700 0.162 0.000 1.041 186 T CA 1.746 63.977 62.100 0.218 0.000 1.159 186 T CB -1.122 67.864 68.868 0.197 0.000 0.863 186 T HN 0.512 nan 8.240 nan 0.000 0.434 187 c N 1.202 119.882 118.600 0.133 0.000 2.367 187 c HA -0.117 4.454 4.570 0.001 0.000 0.276 187 c C 2.682 176.876 174.090 0.172 0.000 1.195 187 c CA 1.023 57.417 56.329 0.109 0.000 1.756 187 c CB -1.545 40.998 42.510 0.055 0.000 2.046 187 c HN 0.586 nan 8.230 nan 0.000 0.453 188 L N 0.701 122.042 121.223 0.195 0.000 2.043 188 L HA -0.201 4.140 4.340 0.001 0.000 0.212 188 L C 2.812 179.825 176.870 0.239 0.000 1.075 188 L CA 2.306 57.311 54.840 0.275 0.000 0.752 188 L CB -0.894 41.317 42.059 0.253 0.000 0.891 188 L HN 0.488 nan 8.230 nan 0.000 0.432 189 K N 0.602 121.115 120.400 0.189 0.000 2.097 189 K HA -0.213 4.107 4.320 0.001 0.000 0.206 189 K C 2.198 178.861 176.600 0.104 0.000 1.049 189 K CA 1.341 57.707 56.287 0.132 0.000 0.933 189 K CB -0.009 32.566 32.500 0.125 0.000 0.717 189 K HN 0.107 nan 8.250 nan 0.000 0.442 190 R N -0.378 120.191 120.500 0.116 0.000 2.323 190 R HA 0.056 4.396 4.340 0.001 0.000 0.198 190 R C 0.330 176.682 176.300 0.085 0.000 0.988 190 R CA 0.682 56.841 56.100 0.097 0.000 1.041 190 R CB 0.298 30.656 30.300 0.097 0.000 0.926 190 R HN 0.040 nan 8.270 nan 0.000 0.476 191 S N -0.491 115.253 115.700 0.073 0.000 2.820 191 S HA 0.088 4.558 4.470 0.001 0.000 0.265 191 S C -0.349 174.122 174.600 -0.214 0.000 1.043 191 S CA -0.485 57.681 58.200 -0.057 0.000 1.245 191 S CB 0.627 63.810 63.200 -0.028 0.000 1.187 191 S HN 0.403 nan 8.310 nan 0.000 0.673 192 N N 0.484 119.149 118.700 -0.060 0.000 2.756 192 N HA -0.168 4.573 4.740 0.001 0.000 0.248 192 N C -0.032 175.426 175.510 -0.086 0.000 1.062 192 N CA 0.316 53.332 53.050 -0.056 0.000 0.696 192 N CB -1.569 36.871 38.487 -0.079 0.000 0.946 192 N HN 0.343 nan 8.380 nan 0.000 0.548 193 F N 0.625 120.602 119.950 0.045 0.000 2.234 193 F HA 0.096 4.624 4.527 0.000 0.000 0.296 193 F C 1.158 176.985 175.800 0.044 0.000 1.089 193 F CA 0.894 58.919 58.000 0.043 0.000 1.343 193 F CB 0.153 39.179 39.000 0.044 0.000 1.040 193 F HN 0.126 nan 8.300 nan 0.000 0.498 194 N N -0.008 118.829 118.700 0.229 0.000 2.898 194 N HA 0.205 4.945 4.740 0.001 0.000 0.245 194 N C -2.169 173.394 175.510 0.088 0.000 1.185 194 N CA -1.245 51.892 53.050 0.144 0.000 0.879 194 N CB 1.002 39.565 38.487 0.127 0.000 1.157 194 N HN -0.134 nan 8.380 nan 0.000 0.503 195 P HA -0.109 nan 4.420 nan 0.000 0.215 195 P C 1.527 178.844 177.300 0.029 0.000 1.153 195 P CA 1.033 64.154 63.100 0.035 0.000 0.853 195 P CB 0.211 31.925 31.700 0.023 0.000 0.788 196 G N -0.552 108.266 108.800 0.031 0.000 2.564 196 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 196 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 196 G C 1.288 176.195 174.900 0.013 0.000 1.124 196 G CA 0.496 45.608 45.100 0.020 0.000 0.764 196 G HN 0.229 nan 8.290 nan 0.000 0.550 197 R N -0.892 119.619 120.500 0.019 0.000 2.566 197 R HA 0.230 4.570 4.340 0.001 0.000 0.388 197 R C 1.724 178.027 176.300 0.004 0.000 0.989 197 R CA -0.264 55.840 56.100 0.008 0.000 1.164 197 R CB -0.135 30.175 30.300 0.017 0.000 1.459 197 R HN 0.396 nan 8.270 nan 0.000 0.553 198 R N 1.611 122.119 120.500 0.014 0.000 2.097 198 R HA -0.210 4.130 4.340 0.001 0.000 0.236 198 R C 1.269 177.566 176.300 -0.006 0.000 1.135 198 R CA 2.131 58.239 56.100 0.014 0.000 0.934 198 R CB 0.135 30.445 30.300 0.016 0.000 0.846 198 R HN 0.024 nan 8.270 nan 0.000 0.431 199 Q N -0.304 119.489 119.800 -0.011 0.000 2.124 199 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 199 Q C 2.142 178.117 176.000 -0.041 0.000 0.977 199 Q CA 1.878 57.669 55.803 -0.020 0.000 0.850 199 Q CB -0.158 28.571 28.738 -0.015 0.000 0.901 199 Q HN 0.246 nan 8.270 nan 0.000 0.429 200 R N 0.373 120.844 120.500 -0.048 0.000 2.075 200 R HA -0.048 4.293 4.340 0.001 0.000 0.232 200 R C 1.787 177.996 176.300 -0.151 0.000 1.126 200 R CA 1.247 57.300 56.100 -0.079 0.000 0.963 200 R CB -0.326 29.939 30.300 -0.059 0.000 0.858 200 R HN 0.273 nan 8.270 nan 0.000 0.435 201 I N -0.268 120.212 120.570 -0.150 0.000 2.252 201 I HA -0.257 3.913 4.170 0.001 0.000 0.245 201 I C 1.879 177.864 176.117 -0.220 0.000 1.102 201 I CA 1.688 62.830 61.300 -0.263 0.000 1.385 201 I CB -0.342 37.605 38.000 -0.088 0.000 1.064 201 I HN 0.242 nan 8.210 nan 0.000 0.414 202 T N 0.693 115.191 114.554 -0.093 0.000 2.720 202 T HA -0.230 4.120 4.350 0.001 0.000 0.268 202 T C 1.907 176.572 174.700 -0.058 0.000 1.037 202 T CA 1.557 63.631 62.100 -0.043 0.000 1.144 202 T CB -0.237 68.622 68.868 -0.015 0.000 0.864 202 T HN 0.223 nan 8.240 nan 0.000 0.444 203 M N 0.867 120.418 119.600 -0.081 0.000 2.082 203 M HA -0.132 4.349 4.480 0.001 0.000 0.258 203 M C 2.726 178.962 176.300 -0.106 0.000 1.069 203 M CA 1.855 57.109 55.300 -0.077 0.000 1.102 203 M CB -0.464 32.089 32.600 -0.078 0.000 1.336 203 M HN 0.330 nan 8.290 nan 0.000 0.404 204 A N 0.407 123.101 122.820 -0.211 0.000 1.883 204 A HA -0.180 4.140 4.320 0.001 0.000 0.217 204 A C 2.063 179.563 177.584 -0.140 0.000 1.186 204 A CA 1.751 53.617 52.037 -0.283 0.000 0.624 204 A CB -1.080 17.508 19.000 -0.688 0.000 0.822 204 A HN 0.513 nan 8.150 nan 0.000 0.444 205 I N -1.156 119.369 120.570 -0.076 0.000 2.208 205 I HA -0.268 3.902 4.170 0.001 0.000 0.245 205 I C 2.750 178.974 176.117 0.178 0.000 1.097 205 I CA 1.497 62.893 61.300 0.161 0.000 1.363 205 I CB -0.414 37.716 38.000 0.215 0.000 1.051 205 I HN 0.307 nan 8.210 nan 0.000 0.413 206 R N 0.753 121.299 120.500 0.078 0.000 2.096 206 R HA -0.132 4.209 4.340 0.001 0.000 0.235 206 R C 2.183 178.518 176.300 0.058 0.000 1.127 206 R CA 1.893 58.034 56.100 0.068 0.000 0.968 206 R CB -0.470 29.846 30.300 0.026 0.000 0.861 206 R HN 0.336 nan 8.270 nan 0.000 0.440 207 T N 0.437 115.003 114.554 0.019 0.000 2.821 207 T HA -0.077 4.273 4.350 0.001 0.000 0.267 207 T C 1.925 176.637 174.700 0.019 0.000 1.046 207 T CA 1.290 63.392 62.100 0.004 0.000 1.139 207 T CB -0.142 68.703 68.868 -0.038 0.000 0.871 207 T HN 0.006 nan 8.240 nan 0.000 0.454 208 V N 2.898 122.826 119.914 0.023 0.000 2.307 208 V HA -0.205 3.916 4.120 0.001 0.000 0.245 208 V C 2.751 178.866 176.094 0.036 0.000 1.045 208 V CA 1.953 64.224 62.300 -0.048 0.000 1.024 208 V CB -0.680 31.004 31.823 -0.232 0.000 0.651 208 V HN 0.551 nan 8.190 nan 0.000 0.449 209 R N 0.555 121.190 120.500 0.226 0.000 2.120 209 R HA -0.171 4.169 4.340 0.001 0.000 0.234 209 R C 1.907 178.300 176.300 0.154 0.000 1.123 209 R CA 1.848 58.123 56.100 0.292 0.000 0.975 209 R CB -0.534 29.941 30.300 0.292 0.000 0.866 209 R HN 0.547 nan 8.270 nan 0.000 0.446 210 E N 1.303 121.568 120.200 0.107 0.000 2.017 210 E HA -0.174 4.176 4.350 0.001 0.000 0.193 210 E C 1.984 178.633 176.600 0.082 0.000 0.997 210 E CA 1.273 57.723 56.400 0.084 0.000 0.804 210 E CB -0.083 29.651 29.700 0.057 0.000 0.757 210 E HN 0.434 nan 8.360 nan 0.000 0.448 211 E N 0.458 120.691 120.200 0.056 0.000 2.086 211 E HA -0.247 4.104 4.350 0.001 0.000 0.200 211 E C 2.138 178.779 176.600 0.069 0.000 1.012 211 E CA 1.245 57.670 56.400 0.043 0.000 0.812 211 E CB -0.115 29.581 29.700 -0.006 0.000 0.743 211 E HN 0.256 nan 8.360 nan 0.000 0.453 212 I N 0.169 120.784 120.570 0.074 0.000 2.162 212 I HA -0.255 3.915 4.170 0.001 0.000 0.238 212 I C 2.481 178.763 176.117 0.275 0.000 1.076 212 I CA 0.487 61.861 61.300 0.123 0.000 1.353 212 I CB -0.155 37.865 38.000 0.032 0.000 1.063 212 I HN 0.133 nan 8.210 nan 0.000 0.408 213 L N 1.243 122.615 121.223 0.250 0.000 2.191 213 L HA -0.219 4.121 4.340 0.001 0.000 0.212 213 L C 2.446 179.464 176.870 0.247 0.000 1.103 213 L CA 1.756 56.807 54.840 0.352 0.000 0.769 213 L CB -0.643 41.556 42.059 0.233 0.000 0.908 213 L HN 0.144 nan 8.230 nan 0.000 0.438 214 K N -0.464 120.038 120.400 0.168 0.000 2.097 214 K HA -0.078 4.242 4.320 0.001 0.000 0.205 214 K C 1.532 178.198 176.600 0.110 0.000 1.050 214 K CA 1.159 57.514 56.287 0.113 0.000 0.938 214 K CB -0.151 32.401 32.500 0.087 0.000 0.718 214 K HN 0.326 nan 8.250 nan 0.000 0.442 215 A N 1.511 124.421 122.820 0.151 0.000 2.310 215 A HA -0.004 4.316 4.320 0.001 0.000 0.230 215 A C 0.311 177.961 177.584 0.111 0.000 1.294 215 A CA -0.140 51.978 52.037 0.135 0.000 0.898 215 A CB -0.361 18.730 19.000 0.151 0.000 0.917 215 A HN 0.480 nan 8.150 nan 0.000 0.491 216 Q N 1.811 121.635 119.800 0.040 0.000 2.323 216 Q HA 0.263 4.604 4.340 0.001 0.000 0.257 216 Q C 0.397 176.327 176.000 -0.116 0.000 1.022 216 Q CA -0.121 55.574 55.803 -0.181 0.000 0.919 216 Q CB 0.433 28.939 28.738 -0.388 0.000 1.220 216 Q HN 0.542 nan 8.270 nan 0.000 0.427 217 T N 1.579 116.077 114.554 -0.093 0.000 2.900 217 T HA 0.178 4.528 4.350 0.001 0.000 0.307 217 T C -1.799 172.854 174.700 -0.078 0.000 1.065 217 T CA -1.420 60.652 62.100 -0.047 0.000 1.105 217 T CB 0.687 69.555 68.868 -0.000 0.000 0.979 217 T HN 0.475 nan 8.240 nan 0.000 0.544 218 P HA -0.025 nan 4.420 nan 0.000 0.223 218 P C 0.979 178.237 177.300 -0.070 0.000 1.144 218 P CA 0.739 63.806 63.100 -0.054 0.000 0.783 218 P CB 0.036 31.717 31.700 -0.030 0.000 0.771 219 E N -1.411 118.746 120.200 -0.072 0.000 2.152 219 E HA 0.087 4.438 4.350 0.001 0.000 0.192 219 E C 1.744 178.227 176.600 -0.196 0.000 0.983 219 E CA 1.352 57.693 56.400 -0.100 0.000 0.818 219 E CB -0.660 29.012 29.700 -0.047 0.000 0.758 219 E HN 0.259 nan 8.360 nan 0.000 0.467 220 G N -0.945 107.720 108.800 -0.224 0.000 2.296 220 G HA2 -0.171 3.789 3.960 0.001 0.000 0.188 220 G HA3 -0.171 3.789 3.960 0.001 0.000 0.188 220 G C 0.011 174.674 174.900 -0.395 0.000 1.000 220 G CA -0.349 44.571 45.100 -0.301 0.000 0.672 220 G HN 0.199 nan 8.290 nan 0.000 0.483 221 H N -0.444 118.501 119.070 -0.209 0.000 2.679 221 H HA 0.486 5.042 4.556 0.001 0.000 0.369 221 H C -0.262 174.881 175.328 -0.309 0.000 1.178 221 H CA -0.045 55.897 56.048 -0.176 0.000 1.419 221 H CB 0.348 30.067 29.762 -0.071 0.000 1.458 221 H HN 0.073 nan 8.280 nan 0.000 0.605 222 F N 0.698 120.763 119.950 0.193 0.000 2.313 222 F HA 0.267 4.795 4.527 0.001 0.000 0.369 222 F C 1.409 177.265 175.800 0.093 0.000 1.109 222 F CA 0.596 58.669 58.000 0.120 0.000 1.132 222 F CB 0.818 39.886 39.000 0.113 0.000 1.291 222 F HN 0.850 nan 8.300 nan 0.000 0.496 223 G N 3.174 112.091 108.800 0.196 0.000 5.229 223 G HA2 -0.372 3.588 3.960 0.001 0.000 0.250 223 G HA3 -0.372 3.588 3.960 0.001 0.000 0.250 223 G C 0.076 175.019 174.900 0.071 0.000 1.380 223 G CA 0.655 45.840 45.100 0.142 0.000 0.933 223 G HN 0.861 nan 8.290 nan 0.000 0.731 224 N N -1.599 117.111 118.700 0.016 0.000 3.204 224 N HA 0.556 5.297 4.740 0.001 0.000 0.285 224 N C 0.692 175.972 175.510 -0.383 0.000 1.536 224 N CA 0.523 53.472 53.050 -0.167 0.000 0.832 224 N CB 1.092 39.453 38.487 -0.211 0.000 1.645 224 N HN 0.976 nan 8.380 nan 0.000 0.586 225 V N -0.288 119.151 119.914 -0.791 0.000 2.407 225 V HA -0.149 3.972 4.120 0.001 0.000 0.248 225 V C 0.797 176.558 176.094 -0.556 0.000 1.055 225 V CA 1.664 63.314 62.300 -1.083 0.000 1.049 225 V CB -0.875 30.242 31.823 -1.177 0.000 0.662 225 V HN 0.609 nan 8.190 nan 0.000 0.455 226 Y N -0.336 119.820 120.300 -0.240 0.000 2.482 226 Y HA 0.217 4.767 4.550 0.001 0.000 0.270 226 Y C 2.518 178.422 175.900 0.008 0.000 1.152 226 Y CA 0.745 58.765 58.100 -0.133 0.000 1.292 226 Y CB -0.198 38.137 38.460 -0.208 0.000 1.070 226 Y HN 0.226 nan 8.280 nan 0.000 0.528 227 S N -1.328 114.448 115.700 0.127 0.000 2.517 227 S HA -0.053 4.417 4.470 0.001 0.000 0.214 227 S C 1.905 176.620 174.600 0.192 0.000 0.991 227 S CA 0.803 59.100 58.200 0.163 0.000 0.906 227 S CB -0.109 63.185 63.200 0.156 0.000 0.789 227 S HN 0.420 nan 8.310 nan 0.000 0.513 228 T N 3.193 117.878 114.554 0.217 0.000 2.737 228 T HA -0.031 4.320 4.350 0.001 0.000 0.265 228 T C -0.792 174.042 174.700 0.224 0.000 1.038 228 T CA 1.126 63.413 62.100 0.312 0.000 1.144 228 T CB -1.418 67.700 68.868 0.416 0.000 0.866 228 T HN 0.311 nan 8.240 nan 0.000 0.434 229 P HA -0.037 nan 4.420 nan 0.000 0.214 229 P C 1.616 178.947 177.300 0.053 0.000 1.163 229 P CA 0.612 63.783 63.100 0.118 0.000 0.883 229 P CB -0.148 31.644 31.700 0.153 0.000 0.788 230 L N -0.887 120.386 121.223 0.082 0.000 2.141 230 L HA -0.069 4.271 4.340 0.001 0.000 0.209 230 L C 2.237 179.134 176.870 0.045 0.000 1.094 230 L CA 1.693 56.564 54.840 0.052 0.000 0.763 230 L CB -1.553 40.586 42.059 0.133 0.000 0.908 230 L HN -0.132 nan 8.230 nan 0.000 0.437 231 A N -0.601 122.242 122.820 0.038 0.000 1.845 231 A HA -0.199 4.121 4.320 0.001 0.000 0.215 231 A C 2.252 179.768 177.584 -0.113 0.000 1.195 231 A CA 1.974 53.979 52.037 -0.054 0.000 0.616 231 A CB -0.941 17.966 19.000 -0.154 0.000 0.832 231 A HN 0.408 nan 8.150 nan 0.000 0.443 232 L N -0.938 120.211 121.223 -0.122 0.000 2.043 232 L HA -0.309 4.031 4.340 0.001 0.000 0.212 232 L C 2.914 179.740 176.870 -0.072 0.000 1.075 232 L CA 2.000 56.780 54.840 -0.100 0.000 0.752 232 L CB -0.553 41.504 42.059 -0.003 0.000 0.891 232 L HN 0.584 nan 8.230 nan 0.000 0.432 233 Q N -0.458 119.309 119.800 -0.055 0.000 2.077 233 Q HA -0.292 4.049 4.340 0.001 0.000 0.206 233 Q C 2.144 178.128 176.000 -0.026 0.000 0.989 233 Q CA 2.432 58.188 55.803 -0.079 0.000 0.853 233 Q CB -0.262 28.379 28.738 -0.161 0.000 0.907 233 Q HN 0.455 nan 8.270 nan 0.000 0.418 234 F N 0.323 120.211 119.950 -0.104 0.000 2.102 234 F HA -0.140 4.387 4.527 0.000 0.000 0.298 234 F C 1.525 177.282 175.800 -0.071 0.000 1.105 234 F CA 1.298 59.254 58.000 -0.072 0.000 1.239 234 F CB -0.209 38.752 39.000 -0.066 0.000 0.991 234 F HN 0.061 nan 8.300 nan 0.000 0.474 235 L N -0.038 120.988 121.223 -0.329 0.000 2.362 235 L HA -0.142 4.199 4.340 0.001 0.000 0.219 235 L C 1.923 178.614 176.870 -0.297 0.000 1.134 235 L CA 0.770 55.360 54.840 -0.416 0.000 0.807 235 L CB -0.571 41.343 42.059 -0.240 0.000 0.927 235 L HN 0.247 nan 8.230 nan 0.000 0.447 236 M N -0.661 118.814 119.600 -0.208 0.000 2.639 236 M HA -0.013 4.468 4.480 0.001 0.000 0.220 236 M C 1.447 177.666 176.300 -0.136 0.000 1.155 236 M CA 0.646 55.869 55.300 -0.129 0.000 1.003 236 M CB -0.265 32.295 32.600 -0.067 0.000 1.725 236 M HN 0.319 nan 8.290 nan 0.000 0.489 237 T N -5.153 109.264 114.554 -0.228 0.000 3.019 237 T HA 0.165 4.516 4.350 0.001 0.000 0.247 237 T C 0.880 175.468 174.700 -0.187 0.000 0.992 237 T CA -0.217 61.779 62.100 -0.175 0.000 1.036 237 T CB 0.007 68.784 68.868 -0.152 0.000 1.063 237 T HN 0.077 nan 8.240 nan 0.000 0.476 238 S N 4.429 119.944 115.700 -0.309 0.000 2.670 238 S HA 0.200 4.670 4.470 0.001 0.000 0.308 238 S C -1.651 172.876 174.600 -0.120 0.000 1.232 238 S CA -0.596 57.470 58.200 -0.224 0.000 1.126 238 S CB 0.700 63.729 63.200 -0.284 0.000 0.897 238 S HN 0.461 nan 8.310 nan 0.000 0.508 239 P HA 0.144 nan 4.420 nan 0.000 0.257 239 P C -0.106 177.176 177.300 -0.031 0.000 1.325 239 P CA 0.006 63.080 63.100 -0.044 0.000 0.850 239 P CB 0.208 31.892 31.700 -0.027 0.000 1.324 240 M N 1.896 121.477 119.600 -0.032 0.000 2.077 240 M HA 0.291 4.772 4.480 0.001 0.000 0.348 240 M C -2.217 174.076 176.300 -0.013 0.000 1.252 240 M CA -2.198 53.092 55.300 -0.017 0.000 1.096 240 M CB 1.082 33.677 32.600 -0.010 0.000 1.568 240 M HN -0.150 nan 8.290 nan 0.000 0.456 241 P HA 0.593 nan 4.420 nan 0.000 0.330 241 P C 0.574 177.875 177.300 0.002 0.000 1.414 241 P CA 0.638 63.736 63.100 -0.005 0.000 0.878 241 P CB 0.388 32.084 31.700 -0.006 0.000 2.176 242 G N -1.160 107.641 108.800 0.003 0.000 4.024 242 G HA2 0.021 3.981 3.960 0.001 0.000 0.206 242 G HA3 0.021 3.981 3.960 0.001 0.000 0.206 242 G C 0.649 175.554 174.900 0.007 0.000 1.608 242 G CA 0.972 46.076 45.100 0.006 0.000 1.221 242 G HN 0.971 nan 8.290 nan 0.000 0.623 243 A N -2.441 120.386 122.820 0.011 0.000 2.557 243 A HA 0.334 4.655 4.320 0.001 0.000 0.183 243 A C 1.429 179.026 177.584 0.021 0.000 1.851 243 A CA 1.396 53.441 52.037 0.013 0.000 1.521 243 A CB -0.977 18.031 19.000 0.012 0.000 1.343 243 A HN 0.542 nan 8.150 nan 0.000 0.335 244 E N 0.997 121.213 120.200 0.026 0.000 2.164 244 E HA -0.305 4.045 4.350 0.001 0.000 0.233 244 E C 1.911 178.543 176.600 0.053 0.000 1.073 244 E CA 2.075 58.499 56.400 0.040 0.000 0.941 244 E CB -0.687 29.039 29.700 0.043 0.000 0.820 244 E HN 0.693 nan 8.360 nan 0.000 0.486 245 L N 0.139 121.391 121.223 0.048 0.000 1.989 245 L HA -0.196 4.144 4.340 0.001 0.000 0.211 245 L C 2.631 179.534 176.870 0.056 0.000 1.071 245 L CA 1.501 56.374 54.840 0.055 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 0.341 109.161 108.800 0.034 0.000 2.766 246 G HA2 -0.425 3.535 3.960 0.001 0.000 0.222 246 G HA3 -0.425 3.535 3.960 0.001 0.000 0.222 246 G C 1.580 176.502 174.900 0.036 0.000 1.225 246 G CA 2.275 47.392 45.100 0.028 0.000 0.784 246 G HN 0.480 nan 8.290 nan 0.000 0.631 247 T N -0.448 114.125 114.554 0.032 0.000 2.812 247 T HA 0.255 4.605 4.350 0.001 0.000 0.264 247 T C 2.624 177.343 174.700 0.032 0.000 1.042 247 T CA 1.948 64.063 62.100 0.024 0.000 1.140 247 T CB -0.514 68.362 68.868 0.014 0.000 0.870 247 T HN 0.535 nan 8.240 nan 0.000 0.445 248 A N 0.505 123.360 122.820 0.059 0.000 1.902 248 A HA -0.066 4.255 4.320 0.001 0.000 0.217 248 A C 2.771 180.448 177.584 0.155 0.000 1.181 248 A CA 1.488 53.576 52.037 0.085 0.000 0.623 248 A CB -1.521 17.573 19.000 0.157 0.000 0.818 248 A HN 0.651 nan 8.150 nan 0.000 0.443 249 c N -1.531 117.179 118.600 0.184 0.000 2.440 249 c HA 0.025 4.596 4.570 0.001 0.000 0.278 249 c C 2.497 176.658 174.090 0.118 0.000 1.295 249 c CA 1.164 57.611 56.329 0.196 0.000 1.738 249 c CB -1.302 41.278 42.510 0.116 0.000 1.987 249 c HN 0.581 nan 8.230 nan 0.000 0.492 250 L N 0.809 122.072 121.223 0.067 0.000 2.217 250 L HA -0.003 4.337 4.340 0.001 0.000 0.211 250 L C 2.423 179.299 176.870 0.010 0.000 1.107 250 L CA 1.592 56.453 54.840 0.035 0.000 0.783 250 L CB -0.703 41.369 42.059 0.022 0.000 0.919 250 L HN 0.302 nan 8.230 nan 0.000 0.442 251 K N -0.815 119.581 120.400 -0.005 0.000 2.031 251 K HA -0.124 4.197 4.320 0.001 0.000 0.205 251 K C 2.072 178.618 176.600 -0.090 0.000 1.049 251 K CA 1.102 57.354 56.287 -0.058 0.000 0.939 251 K CB -0.121 32.327 32.500 -0.086 0.000 0.717 251 K HN 0.323 nan 8.250 nan 0.000 0.438 252 A N 1.945 124.732 122.820 -0.056 0.000 1.948 252 A HA -0.236 4.084 4.320 0.001 0.000 0.220 252 A C 2.132 179.708 177.584 -0.013 0.000 1.177 252 A CA 1.698 53.716 52.037 -0.030 0.000 0.636 252 A CB -0.676 18.465 19.000 0.235 0.000 0.815 252 A HN 0.381 nan 8.150 nan 0.000 0.449 253 R N -0.192 120.317 120.500 0.016 0.000 2.096 253 R HA -0.149 4.191 4.340 0.001 0.000 0.240 253 R C 1.986 178.271 176.300 -0.024 0.000 1.139 253 R CA 2.206 58.311 56.100 0.009 0.000 0.952 253 R CB -0.595 29.715 30.300 0.016 0.000 0.854 253 R HN 0.353 nan 8.270 nan 0.000 0.436 254 V N 1.155 121.040 119.914 -0.048 0.000 2.255 254 V HA -0.252 3.868 4.120 0.001 0.000 0.247 254 V C 2.623 178.656 176.094 -0.102 0.000 1.051 254 V CA 2.026 64.289 62.300 -0.062 0.000 1.018 254 V CB -1.098 30.686 31.823 -0.065 0.000 0.641 254 V HN 0.553 nan 8.190 nan 0.000 0.445 255 A N -0.595 122.099 122.820 -0.209 0.000 1.948 255 A HA -0.219 4.101 4.320 0.001 0.000 0.220 255 A C 2.300 179.718 177.584 -0.278 0.000 1.177 255 A CA 2.240 54.026 52.037 -0.419 0.000 0.636 255 A CB -0.560 17.915 19.000 -0.876 0.000 0.815 255 A HN 0.497 nan 8.150 nan 0.000 0.449 256 L N -1.000 120.173 121.223 -0.084 0.000 2.023 256 L HA -0.064 4.277 4.340 0.001 0.000 0.205 256 L C 2.536 179.470 176.870 0.108 0.000 1.073 256 L CA 1.115 56.047 54.840 0.154 0.000 0.745 256 L CB -0.248 41.886 42.059 0.125 0.000 0.900 256 L HN 0.464 nan 8.230 nan 0.000 0.435 257 L N -0.421 120.824 121.223 0.036 0.000 2.043 257 L HA -0.293 4.048 4.340 0.001 0.000 0.212 257 L C 2.659 179.555 176.870 0.045 0.000 1.075 257 L CA 1.748 56.605 54.840 0.029 0.000 0.752 257 L CB -0.480 41.584 42.059 0.008 0.000 0.891 257 L HN 0.389 nan 8.230 nan 0.000 0.432 258 A N -0.901 121.938 122.820 0.033 0.000 1.865 258 A HA -0.222 4.098 4.320 0.001 0.000 0.217 258 A C 2.345 179.975 177.584 0.076 0.000 1.191 258 A CA 2.191 54.251 52.037 0.038 0.000 0.623 258 A CB -0.786 18.220 19.000 0.010 0.000 0.826 258 A HN 0.524 nan 8.150 nan 0.000 0.444 259 S N -0.591 115.183 115.700 0.124 0.000 2.402 259 S HA -0.089 4.381 4.470 0.001 0.000 0.229 259 S C 1.778 176.491 174.600 0.188 0.000 1.021 259 S CA 1.247 59.536 58.200 0.149 0.000 0.974 259 S CB -0.328 62.992 63.200 0.201 0.000 0.800 259 S HN 0.371 nan 8.310 nan 0.000 0.484 260 L N 2.477 123.824 121.223 0.206 0.000 2.027 260 L HA -0.065 4.275 4.340 0.001 0.000 0.206 260 L C 2.360 179.314 176.870 0.139 0.000 1.074 260 L CA 1.696 56.657 54.840 0.202 0.000 0.745 260 L CB -0.846 41.271 42.059 0.096 0.000 0.898 260 L HN 0.430 nan 8.230 nan 0.000 0.433 261 Q N -1.947 117.911 119.800 0.097 0.000 2.466 261 Q HA -0.118 4.222 4.340 0.001 0.000 0.210 261 Q C 0.698 176.742 176.000 0.073 0.000 0.961 261 Q CA 0.855 56.704 55.803 0.077 0.000 0.953 261 Q CB -0.210 28.561 28.738 0.055 0.000 1.011 261 Q HN 0.496 nan 8.270 nan 0.000 0.516 262 D N 0.150 120.600 120.400 0.084 0.000 2.417 262 D HA 0.090 4.730 4.640 0.001 0.000 0.207 262 D C 0.690 177.032 176.300 0.070 0.000 1.075 262 D CA 0.771 54.810 54.000 0.065 0.000 0.851 262 D CB 0.629 41.461 40.800 0.053 0.000 0.976 262 D HN 0.484 nan 8.370 nan 0.000 0.505 263 G N 0.923 109.785 108.800 0.102 0.000 2.132 263 G HA2 -0.290 3.671 3.960 0.001 0.000 0.234 263 G HA3 -0.290 3.671 3.960 0.001 0.000 0.234 263 G C 1.127 176.080 174.900 0.089 0.000 0.989 263 G CA 0.511 45.673 45.100 0.103 0.000 0.676 263 G HN 0.429 nan 8.290 nan 0.000 0.522 264 A N -0.718 122.159 122.820 0.095 0.000 2.070 264 A HA 0.404 4.725 4.320 0.001 0.000 0.220 264 A C 0.985 178.547 177.584 -0.036 0.000 1.159 264 A CA 1.130 53.165 52.037 -0.003 0.000 0.656 264 A CB -0.214 18.693 19.000 -0.156 0.000 0.800 264 A HN 0.752 nan 8.150 nan 0.000 0.453 265 F N 0.205 120.215 119.950 0.099 0.000 2.441 265 F HA 0.259 4.787 4.527 0.000 0.000 0.337 265 F C 1.391 177.143 175.800 -0.081 0.000 1.182 265 F CA -0.385 57.666 58.000 0.086 0.000 1.279 265 F CB 0.844 39.888 39.000 0.073 0.000 1.614 265 F HN 0.136 nan 8.300 nan 0.000 0.574 266 Q N 0.203 119.992 119.800 -0.019 0.000 2.204 266 Q HA -0.025 4.315 4.340 0.001 0.000 0.198 266 Q C 0.815 176.774 176.000 -0.068 0.000 0.946 266 Q CA 0.397 56.106 55.803 -0.156 0.000 0.859 266 Q CB -0.063 28.632 28.738 -0.072 0.000 0.946 266 Q HN 0.491 nan 8.270 nan 0.000 0.474 267 N N 0.686 119.367 118.700 -0.033 0.000 2.468 267 N HA 0.054 4.794 4.740 0.001 0.000 0.265 267 N C 0.717 176.242 175.510 0.024 0.000 1.199 267 N CA 0.343 53.384 53.050 -0.016 0.000 0.928 267 N CB 1.159 39.575 38.487 -0.118 0.000 1.059 267 N HN 0.055 nan 8.380 nan 0.000 0.467 268 A N 4.466 127.290 122.820 0.006 0.000 1.908 268 A HA -0.200 4.121 4.320 0.001 0.000 0.218 268 A C 2.020 179.568 177.584 -0.061 0.000 1.181 268 A CA 1.086 53.092 52.037 -0.052 0.000 0.627 268 A CB -0.519 18.235 19.000 -0.410 0.000 0.818 268 A HN 0.753 nan 8.150 nan 0.000 0.445 269 L N -1.134 120.034 121.223 -0.092 0.000 2.046 269 L HA -0.137 4.204 4.340 0.001 0.000 0.208 269 L C 2.290 179.190 176.870 0.050 0.000 1.077 269 L CA 2.001 56.822 54.840 -0.032 0.000 0.747 269 L CB -0.399 41.628 42.059 -0.054 0.000 0.896 269 L HN 0.292 nan 8.230 nan 0.000 0.432 270 M N -0.896 118.745 119.600 0.068 0.000 2.229 270 M HA -0.108 4.372 4.480 0.001 0.000 0.264 270 M C 2.355 178.837 176.300 0.304 0.000 1.063 270 M CA 1.533 56.953 55.300 0.201 0.000 1.114 270 M CB -0.864 31.836 32.600 0.166 0.000 1.387 270 M HN 0.309 nan 8.290 nan 0.000 0.420 271 I N 0.179 120.880 120.570 0.218 0.000 2.315 271 I HA -0.263 3.908 4.170 0.001 0.000 0.248 271 I C 2.372 178.524 176.117 0.059 0.000 1.117 271 I CA 1.469 62.848 61.300 0.133 0.000 1.404 271 I CB -0.371 37.700 38.000 0.119 0.000 1.071 271 I HN 0.307 nan 8.210 nan 0.000 0.419 272 S N -0.206 115.536 115.700 0.070 0.000 2.515 272 S HA -0.099 4.371 4.470 0.001 0.000 0.231 272 S C 1.746 176.398 174.600 0.087 0.000 0.987 272 S CA 0.529 58.767 58.200 0.063 0.000 0.936 272 S CB -0.214 63.025 63.200 0.065 0.000 0.766 272 S HN 0.513 nan 8.310 nan 0.000 0.528 273 Q N -0.339 119.517 119.800 0.094 0.000 2.376 273 Q HA 0.278 4.618 4.340 0.001 0.000 0.206 273 Q C 1.813 177.804 176.000 -0.014 0.000 0.921 273 Q CA 0.374 56.217 55.803 0.067 0.000 0.911 273 Q CB -0.023 28.795 28.738 0.133 0.000 1.032 273 Q HN 0.541 nan 8.270 nan 0.000 0.510 274 L N -0.053 121.153 121.223 -0.028 0.000 2.253 274 L HA 0.043 4.383 4.340 0.001 0.000 0.205 274 L C 1.842 178.626 176.870 -0.143 0.000 1.078 274 L CA 1.095 55.855 54.840 -0.133 0.000 0.805 274 L CB -0.242 41.608 42.059 -0.349 0.000 0.963 274 L HN 0.104 nan 8.230 nan 0.000 0.459 275 L N 0.258 121.416 121.223 -0.108 0.000 2.021 275 L HA -0.195 4.146 4.340 0.001 0.000 0.215 275 L C -0.229 176.578 176.870 -0.105 0.000 1.074 275 L CA 1.772 56.552 54.840 -0.100 0.000 0.760 275 L CB -1.778 40.243 42.059 -0.062 0.000 0.889 275 L HN 0.282 nan 8.230 nan 0.000 0.433 276 P HA -0.131 nan 4.420 nan 0.000 0.215 276 P C 1.954 179.180 177.300 -0.124 0.000 1.157 276 P CA 1.132 64.175 63.100 -0.095 0.000 0.863 276 P CB 0.029 31.666 31.700 -0.105 0.000 0.787 277 V N -0.027 119.805 119.914 -0.136 0.000 2.252 277 V HA -0.250 3.870 4.120 0.001 0.000 0.249 277 V C 2.450 178.443 176.094 -0.168 0.000 1.056 277 V CA 1.720 63.944 62.300 -0.126 0.000 1.022 277 V CB -1.410 30.351 31.823 -0.104 0.000 0.641 277 V HN 0.098 nan 8.190 nan 0.000 0.445 278 L N 0.196 121.309 121.223 -0.183 0.000 2.447 278 L HA -0.160 4.180 4.340 0.001 0.000 0.225 278 L C 1.682 178.337 176.870 -0.357 0.000 1.148 278 L CA 1.461 56.166 54.840 -0.225 0.000 0.808 278 L CB -0.514 41.438 42.059 -0.179 0.000 0.928 278 L HN 0.452 nan 8.230 nan 0.000 0.448 279 N N -0.927 117.564 118.700 -0.348 0.000 2.282 279 N HA 0.022 4.762 4.740 0.001 0.000 0.240 279 N C -0.093 175.183 175.510 -0.389 0.000 1.182 279 N CA -0.321 52.493 53.050 -0.394 0.000 0.874 279 N CB -0.153 38.236 38.487 -0.162 0.000 1.126 279 N HN 0.249 nan 8.380 nan 0.000 0.516 280 H N -1.154 117.896 119.070 -0.034 0.000 2.713 280 H HA -0.172 4.384 4.556 0.000 0.000 0.311 280 H C -0.621 174.688 175.328 -0.031 0.000 1.175 280 H CA 0.789 56.817 56.048 -0.032 0.000 1.143 280 H CB -1.506 28.242 29.762 -0.024 0.000 1.434 280 H HN 0.140 nan 8.280 nan 0.000 0.418 281 K N 0.944 121.341 120.400 -0.004 0.000 2.318 281 K HA 0.648 4.969 4.320 0.001 0.000 0.249 281 K C 0.564 177.136 176.600 -0.046 0.000 0.942 281 K CA -0.052 56.233 56.287 -0.005 0.000 0.808 281 K CB 2.520 35.014 32.500 -0.010 0.000 1.189 281 K HN 0.331 nan 8.250 nan 0.000 0.428 282 T N -2.516 112.021 114.554 -0.028 0.000 2.858 282 T HA 0.353 4.703 4.350 0.001 0.000 0.285 282 T C 0.659 175.376 174.700 0.028 0.000 1.052 282 T CA -0.512 61.544 62.100 -0.074 0.000 1.009 282 T CB 0.323 69.164 68.868 -0.045 0.000 1.241 282 T HN 0.351 nan 8.240 nan 0.000 0.542 283 Y N -0.124 120.178 120.300 0.003 0.000 2.571 283 Y HA 0.202 4.752 4.550 0.001 0.000 0.294 283 Y C 2.135 178.021 175.900 -0.024 0.000 1.141 283 Y CA -0.581 57.512 58.100 -0.011 0.000 1.308 283 Y CB -0.694 37.762 38.460 -0.006 0.000 1.002 283 Y HN 0.438 nan 8.280 nan 0.000 0.551 284 I N -0.114 120.532 120.570 0.127 0.000 2.546 284 I HA -0.200 3.970 4.170 0.001 0.000 0.255 284 I C 1.467 177.601 176.117 0.028 0.000 1.163 284 I CA 1.050 62.386 61.300 0.060 0.000 1.457 284 I CB -0.841 37.190 38.000 0.052 0.000 1.092 284 I HN 0.198 nan 8.210 nan 0.000 0.434 285 D N 0.744 121.173 120.400 0.048 0.000 2.384 285 D HA -0.088 4.552 4.640 0.001 0.000 0.222 285 D C 1.991 178.300 176.300 0.014 0.000 0.976 285 D CA 0.615 54.642 54.000 0.045 0.000 0.915 285 D CB 0.263 41.094 40.800 0.051 0.000 0.896 285 D HN 0.357 nan 8.370 nan 0.000 0.523 286 L N 0.392 121.609 121.223 -0.009 0.000 2.599 286 L HA 0.092 4.433 4.340 0.001 0.000 0.230 286 L C 2.159 178.927 176.870 -0.170 0.000 1.141 286 L CA -0.064 54.731 54.840 -0.075 0.000 0.877 286 L CB 0.044 42.060 42.059 -0.071 0.000 1.009 286 L HN -0.013 nan 8.230 nan 0.000 0.447 287 I N -0.829 119.613 120.570 -0.212 0.000 2.235 287 I HA -0.158 4.012 4.170 0.001 0.000 0.241 287 I C 0.336 176.094 176.117 -0.598 0.000 1.085 287 I CA 1.438 62.465 61.300 -0.455 0.000 1.378 287 I CB 0.126 37.769 38.000 -0.595 0.000 1.076 287 I HN 0.075 nan 8.210 nan 0.000 0.415 288 F N 2.549 122.505 119.950 0.010 0.000 2.449 288 F HA 0.361 4.888 4.527 0.000 0.000 0.344 288 F C -2.257 173.536 175.800 -0.011 0.000 1.180 288 F CA -2.146 55.858 58.000 0.006 0.000 1.209 288 F CB 0.185 39.197 39.000 0.021 0.000 1.440 288 F HN -0.100 nan 8.300 nan 0.000 0.526 289 P HA 0.089 nan 4.420 nan 0.000 0.277 289 P C -0.900 176.427 177.300 0.046 0.000 1.240 289 P CA -0.214 62.909 63.100 0.037 0.000 0.798 289 P CB 1.532 33.215 31.700 -0.029 0.000 0.979 290 D N 1.559 121.979 120.400 0.033 0.000 2.454 290 D HA 0.127 4.767 4.640 0.001 0.000 0.225 290 D C 0.357 176.663 176.300 0.010 0.000 1.081 290 D CA -0.433 53.583 54.000 0.026 0.000 0.864 290 D CB 0.199 41.015 40.800 0.026 0.000 1.040 290 D HN 0.175 nan 8.370 nan 0.000 0.517 291 c N 3.071 121.676 118.600 0.009 0.000 2.539 291 c HA 0.145 4.715 4.570 0.001 0.000 0.268 291 c C 2.310 176.404 174.090 0.005 0.000 1.395 291 c CA -0.026 56.306 56.329 0.004 0.000 1.757 291 c CB -0.726 41.788 42.510 0.008 0.000 1.851 291 c HN 0.641 nan 8.230 nan 0.000 0.545 292 L N 0.435 121.663 121.223 0.008 0.000 2.616 292 L HA 0.252 4.592 4.340 0.001 0.000 0.229 292 L C 1.478 178.350 176.870 0.004 0.000 1.110 292 L CA -0.084 54.761 54.840 0.007 0.000 0.884 292 L CB -0.268 41.797 42.059 0.009 0.000 1.115 292 L HN 0.143 nan 8.230 nan 0.000 0.481 293 A N 1.611 124.433 122.820 0.004 0.000 2.545 293 A HA 0.306 4.626 4.320 0.001 0.000 0.253 293 A C -2.151 175.431 177.584 -0.003 0.000 1.074 293 A CA -0.734 51.304 52.037 0.002 0.000 0.760 293 A CB -0.737 18.266 19.000 0.005 0.000 1.005 293 A HN -0.004 nan 8.150 nan 0.000 0.506 294 P HA 0.527 nan 4.420 nan 0.000 0.278 294 P C -0.590 176.703 177.300 -0.011 0.000 1.238 294 P CA -0.281 62.816 63.100 -0.006 0.000 0.794 294 P CB 0.809 32.507 31.700 -0.003 0.000 0.955 295 R N 0.818 121.307 120.500 -0.018 0.000 2.673 295 R HA 0.544 4.885 4.340 0.001 0.000 0.281 295 R C -0.939 175.346 176.300 -0.025 0.000 0.991 295 R CA -1.218 54.867 56.100 -0.026 0.000 0.896 295 R CB 2.107 32.383 30.300 -0.038 0.000 1.201 295 R HN 0.226 nan 8.270 nan 0.000 0.457 296 V N 3.980 123.877 119.914 -0.028 0.000 2.715 296 V HA 0.111 4.232 4.120 0.001 0.000 0.299 296 V C 0.611 176.686 176.094 -0.033 0.000 1.054 296 V CA -0.048 62.235 62.300 -0.028 0.000 1.077 296 V CB 0.939 32.742 31.823 -0.032 0.000 0.972 296 V HN 0.635 nan 8.190 nan 0.000 0.484 297 M N 5.514 125.097 119.600 -0.027 0.000 2.240 297 M HA 0.227 4.708 4.480 0.001 0.000 0.317 297 M C -0.431 175.847 176.300 -0.036 0.000 1.087 297 M CA 0.489 55.773 55.300 -0.026 0.000 1.176 297 M CB 0.352 32.942 32.600 -0.017 0.000 1.439 297 M HN 0.467 nan 8.290 nan 0.000 0.452 298 L N 2.731 123.933 121.223 -0.034 0.000 2.298 298 L HA 0.244 4.584 4.340 0.001 0.000 0.284 298 L C 0.300 177.151 176.870 -0.031 0.000 1.013 298 L CA -0.575 54.241 54.840 -0.041 0.000 0.824 298 L CB 1.215 43.251 42.059 -0.039 0.000 1.221 298 L HN 0.544 nan 8.230 nan 0.000 0.418 299 E N 3.958 124.139 120.200 -0.032 0.000 2.383 299 E HA 0.216 4.566 4.350 0.001 0.000 0.264 299 E C -2.213 174.372 176.600 -0.024 0.000 1.050 299 E CA -1.751 54.636 56.400 -0.021 0.000 0.896 299 E CB 0.281 29.973 29.700 -0.013 0.000 0.982 299 E HN 0.267 nan 8.360 nan 0.000 0.424 300 P HA -0.017 nan 4.420 nan 0.000 0.265 300 P C 0.348 177.630 177.300 -0.030 0.000 1.193 300 P CA 0.208 63.293 63.100 -0.026 0.000 0.765 300 P CB 0.575 32.262 31.700 -0.021 0.000 0.823 301 A N 4.254 127.048 122.820 -0.044 0.000 1.997 301 A HA -0.096 4.224 4.320 0.001 0.000 0.221 301 A C 1.905 179.467 177.584 -0.036 0.000 1.172 301 A CA 2.656 54.662 52.037 -0.051 0.000 0.645 301 A CB -1.487 17.462 19.000 -0.085 0.000 0.813 301 A HN 0.691 nan 8.150 nan 0.000 0.454 302 A N -0.936 121.864 122.820 -0.033 0.000 1.346 302 A HA -0.366 3.954 4.320 0.001 0.000 0.222 302 A C 0.810 178.380 177.584 -0.024 0.000 0.346 302 A CA 2.377 54.399 52.037 -0.024 0.000 1.095 302 A CB -2.077 16.914 19.000 -0.015 0.000 1.469 302 A HN 1.420 nan 8.150 nan 0.000 0.722 303 E N 0.561 120.749 120.200 -0.021 0.000 2.366 303 E HA 0.592 4.943 4.350 0.001 0.000 0.266 303 E C -0.299 176.284 176.600 -0.028 0.000 1.051 303 E CA 0.333 56.722 56.400 -0.019 0.000 0.884 303 E CB 0.810 30.503 29.700 -0.012 0.000 1.006 303 E HN 0.410 nan 8.360 nan 0.000 0.417 304 T N 3.684 118.224 114.554 -0.024 0.000 2.890 304 T HA 0.287 4.637 4.350 0.001 0.000 0.295 304 T C -0.197 174.494 174.700 -0.014 0.000 0.993 304 T CA -0.770 61.315 62.100 -0.026 0.000 0.979 304 T CB 0.307 69.157 68.868 -0.030 0.000 0.967 304 T HN 0.425 nan 8.240 nan 0.000 0.441 305 I N 5.380 125.945 120.570 -0.009 0.000 3.298 305 I HA -0.050 4.121 4.170 0.001 0.000 0.327 305 I C -1.134 174.982 176.117 -0.001 0.000 1.247 305 I CA -0.736 60.563 61.300 -0.000 0.000 1.416 305 I CB -0.081 37.925 38.000 0.010 0.000 1.360 305 I HN 0.530 nan 8.210 nan 0.000 0.507 306 P HA -0.076 nan 4.420 nan 0.000 0.236 306 P C 0.640 177.939 177.300 -0.001 0.000 1.177 306 P CA 0.107 63.206 63.100 -0.003 0.000 0.773 306 P CB 0.171 31.869 31.700 -0.003 0.000 0.878 307 Q N -1.462 118.339 119.800 0.001 0.000 1.134 307 Q HA -0.235 4.105 4.340 0.001 0.000 0.391 307 Q C -0.461 175.538 176.000 -0.000 0.000 1.017 307 Q CA 1.768 57.572 55.803 0.001 0.000 0.532 307 Q CB -1.457 27.282 28.738 0.002 0.000 5.001 307 Q HN 0.263 nan 8.270 nan 0.000 0.513 308 T N -0.692 113.862 114.554 -0.001 0.000 3.012 308 T HA 0.380 4.731 4.350 0.001 0.000 0.330 308 T C -1.849 172.850 174.700 -0.002 0.000 1.321 308 T CA -0.505 61.594 62.100 -0.001 0.000 1.067 308 T CB 1.718 70.585 68.868 -0.001 0.000 1.235 308 T HN 0.424 nan 8.240 nan 0.000 0.479 309 Q N 2.543 122.342 119.800 -0.002 0.000 2.286 309 Q HA 0.416 4.756 4.340 0.001 0.000 0.267 309 Q C -0.453 175.546 176.000 -0.002 0.000 1.028 309 Q CA 0.639 56.441 55.803 -0.002 0.000 0.901 309 Q CB 0.443 29.180 28.738 -0.001 0.000 1.183 309 Q HN 0.579 nan 8.270 nan 0.000 0.392 310 E N 4.189 124.387 120.200 -0.003 0.000 2.466 310 E HA 0.137 4.487 4.350 0.001 0.000 0.308 310 E C -0.992 175.605 176.600 -0.004 0.000 0.933 310 E CA -0.365 56.033 56.400 -0.003 0.000 0.800 310 E CB 0.709 30.407 29.700 -0.004 0.000 1.434 310 E HN 0.511 nan 8.360 nan 0.000 0.389 311 I N 6.241 126.809 120.570 -0.003 0.000 2.517 311 I HA 0.165 4.336 4.170 0.001 0.000 0.285 311 I C 0.596 176.711 176.117 -0.004 0.000 1.106 311 I CA 0.266 61.564 61.300 -0.003 0.000 1.402 311 I CB -0.157 37.842 38.000 -0.003 0.000 1.399 311 I HN 0.473 nan 8.210 nan 0.000 0.535 312 I N 3.180 123.747 120.570 -0.005 0.000 2.740 312 I HA 0.547 4.717 4.170 0.001 0.000 0.303 312 I C -0.020 176.094 176.117 -0.006 0.000 1.044 312 I CA -0.737 60.560 61.300 -0.005 0.000 1.064 312 I CB 2.182 40.178 38.000 -0.005 0.000 1.249 312 I HN 0.437 nan 8.210 nan 0.000 0.433 313 S N 3.948 119.645 115.700 -0.005 0.000 2.457 313 S HA 0.684 5.154 4.470 0.001 0.000 0.289 313 S C -0.756 173.841 174.600 -0.004 0.000 1.163 313 S CA -0.406 57.790 58.200 -0.007 0.000 1.078 313 S CB 0.980 64.175 63.200 -0.009 0.000 0.987 313 S HN 0.542 nan 8.310 nan 0.000 0.482 314 V N 5.154 125.064 119.914 -0.008 0.000 2.483 314 V HA 0.396 4.516 4.120 0.001 0.000 0.297 314 V C -0.102 175.984 176.094 -0.014 0.000 1.027 314 V CA -0.711 61.588 62.300 -0.002 0.000 0.855 314 V CB 2.092 33.918 31.823 0.005 0.000 0.995 314 V HN 0.992 nan 8.190 nan 0.000 0.424 315 T N 6.476 121.025 114.554 -0.009 0.000 2.723 315 T HA 0.415 4.765 4.350 0.001 0.000 0.297 315 T C -0.321 174.374 174.700 -0.010 0.000 0.925 315 T CA -0.070 62.021 62.100 -0.016 0.000 1.030 315 T CB 0.597 69.457 68.868 -0.013 0.000 0.905 315 T HN 0.401 nan 8.240 nan 0.000 0.502 316 L N 5.055 126.269 121.223 -0.014 0.000 2.276 316 L HA 0.474 4.815 4.340 0.001 0.000 0.286 316 L C -0.152 176.775 176.870 0.095 0.000 1.061 316 L CA -0.084 54.755 54.840 -0.002 0.000 0.807 316 L CB 0.813 42.813 42.059 -0.099 0.000 1.177 316 L HN 0.730 nan 8.230 nan 0.000 0.429 317 Q N 3.967 123.830 119.800 0.105 0.000 2.331 317 Q HA 0.719 5.059 4.340 0.001 0.000 0.272 317 Q C -1.870 174.249 176.000 0.198 0.000 1.062 317 Q CA -1.021 54.888 55.803 0.177 0.000 0.806 317 Q CB 2.242 31.034 28.738 0.091 0.000 1.312 317 Q HN 0.398 nan 8.270 nan 0.000 0.431 318 V N 4.500 124.589 119.914 0.292 0.000 2.349 318 V HA 0.313 4.433 4.120 0.001 0.000 0.284 318 V C 0.214 176.442 176.094 0.223 0.000 1.014 318 V CA -0.549 61.898 62.300 0.245 0.000 0.826 318 V CB 0.532 32.487 31.823 0.220 0.000 1.009 318 V HN 0.794 nan 8.190 nan 0.000 0.431 319 L N 2.942 124.269 121.223 0.174 0.000 2.867 319 L HA 0.305 4.645 4.340 0.001 0.000 0.158 319 L C 1.638 178.596 176.870 0.147 0.000 1.387 319 L CA 0.237 55.155 54.840 0.131 0.000 1.696 319 L CB -0.199 41.910 42.059 0.083 0.000 2.480 319 L HN 0.861 nan 8.230 nan 0.000 0.522 320 S N -0.895 114.857 115.700 0.088 0.000 3.420 320 S HA -0.221 4.249 4.470 0.001 0.000 0.367 320 S C -0.464 174.202 174.600 0.110 0.000 1.063 320 S CA 0.726 58.960 58.200 0.057 0.000 1.073 320 S CB -2.010 61.178 63.200 -0.021 0.000 0.905 320 S HN 0.426 nan 8.310 nan 0.000 0.485 321 L N -0.537 120.760 121.223 0.124 0.000 2.565 321 L HA 0.466 4.806 4.340 0.001 0.000 0.261 321 L C 1.026 177.956 176.870 0.099 0.000 0.932 321 L CA -0.892 54.026 54.840 0.130 0.000 0.878 321 L CB 1.384 43.552 42.059 0.181 0.000 1.333 321 L HN 0.265 nan 8.230 nan 0.000 0.409 322 L N 1.733 123.001 121.223 0.076 0.000 3.909 322 L HA -0.263 4.077 4.340 0.001 0.000 0.056 322 L C -1.523 175.385 176.870 0.062 0.000 3.600 322 L CA 1.613 56.490 54.840 0.061 0.000 1.424 322 L CB -1.127 40.966 42.059 0.058 0.000 3.042 322 L HN 0.513 nan 8.230 nan 0.000 0.695 323 P HA 0.256 nan 4.420 nan 0.000 0.293 323 P C -2.451 174.910 177.300 0.101 0.000 1.300 323 P CA -1.322 61.820 63.100 0.070 0.000 0.792 323 P CB 0.517 32.255 31.700 0.063 0.000 0.925 324 P HA -0.023 nan 4.420 nan 0.000 0.264 324 P C -1.006 176.383 177.300 0.148 0.000 1.193 324 P CA 0.097 63.269 63.100 0.120 0.000 0.763 324 P CB 0.300 32.048 31.700 0.080 0.000 0.810 325 Y N 4.914 125.259 120.300 0.076 0.000 2.313 325 Y HA 0.418 4.968 4.550 0.000 0.000 0.332 325 Y C 0.357 176.290 175.900 0.054 0.000 1.071 325 Y CA -0.579 57.570 58.100 0.082 0.000 1.169 325 Y CB 1.046 39.593 38.460 0.145 0.000 1.192 325 Y HN 0.435 nan 8.280 nan 0.000 0.487 326 R N 4.574 124.817 120.500 -0.428 0.000 2.508 326 R HA 0.509 4.849 4.340 0.001 0.000 0.283 326 R C -2.221 173.804 176.300 -0.459 0.000 1.120 326 R CA -0.942 54.974 56.100 -0.307 0.000 0.958 326 R CB 1.299 31.546 30.300 -0.089 0.000 1.215 326 R HN 0.663 nan 8.270 nan 0.000 0.427 327 Q N 1.979 121.560 119.800 -0.366 0.000 2.268 327 Q HA 0.292 4.632 4.340 0.001 0.000 0.266 327 Q C -1.342 174.592 176.000 -0.111 0.000 1.006 327 Q CA -0.551 55.094 55.803 -0.263 0.000 0.824 327 Q CB 2.591 31.129 28.738 -0.333 0.000 1.306 327 Q HN 0.718 nan 8.270 nan 0.000 0.424 328 S N 5.480 121.129 115.700 -0.084 0.000 2.503 328 S HA 0.231 4.702 4.470 0.001 0.000 0.317 328 S C 0.149 174.724 174.600 -0.042 0.000 1.162 328 S CA -0.490 57.680 58.200 -0.051 0.000 1.124 328 S CB -0.265 62.910 63.200 -0.041 0.000 1.207 328 S HN 0.482 nan 8.310 nan 0.000 0.538 329 I N 4.064 124.610 120.570 -0.040 0.000 2.519 329 I HA 0.222 4.392 4.170 0.001 0.000 0.287 329 I C 0.802 176.904 176.117 -0.024 0.000 1.047 329 I CA -0.100 61.179 61.300 -0.035 0.000 1.381 329 I CB 1.207 39.175 38.000 -0.053 0.000 1.417 329 I HN 0.538 nan 8.210 nan 0.000 0.540 330 S N 6.340 122.029 115.700 -0.017 0.000 2.474 330 S HA 0.695 5.165 4.470 0.001 0.000 0.321 330 S C -0.490 174.106 174.600 -0.008 0.000 1.080 330 S CA -0.514 57.679 58.200 -0.011 0.000 1.106 330 S CB 0.477 63.672 63.200 -0.009 0.000 0.984 330 S HN 0.453 nan 8.310 nan 0.000 0.464 331 V N 3.000 122.909 119.914 -0.007 0.000 3.155 331 V HA 0.753 4.874 4.120 0.001 0.000 0.313 331 V C -0.500 175.592 176.094 -0.003 0.000 1.162 331 V CA -1.294 61.004 62.300 -0.004 0.000 1.048 331 V CB 1.320 33.140 31.823 -0.006 0.000 1.092 331 V HN 0.713 nan 8.190 nan 0.000 0.447 332 L N 2.392 123.614 121.223 -0.001 0.000 2.439 332 L HA 0.703 5.043 4.340 0.001 0.000 0.269 332 L C 0.894 177.761 176.870 -0.005 0.000 1.179 332 L CA 0.772 55.611 54.840 -0.002 0.000 0.828 332 L CB 0.801 42.861 42.059 0.001 0.000 1.106 332 L HN 1.150 nan 8.230 nan 0.000 0.467 333 A N 3.110 125.926 122.820 -0.007 0.000 2.498 333 A HA 0.464 4.784 4.320 0.001 0.000 0.239 333 A C 1.228 178.804 177.584 -0.014 0.000 1.068 333 A CA 0.398 52.428 52.037 -0.012 0.000 0.766 333 A CB -0.461 18.532 19.000 -0.011 0.000 1.003 333 A HN 1.651 nan 8.150 nan 0.000 0.497 334 G N 1.319 110.105 108.800 -0.024 0.000 2.199 334 G HA2 -0.220 3.740 3.960 0.001 0.000 0.254 334 G HA3 -0.220 3.740 3.960 0.001 0.000 0.254 334 G C 0.576 175.465 174.900 -0.019 0.000 0.982 334 G CA 0.376 45.461 45.100 -0.025 0.000 0.632 334 G HN 1.234 nan 8.290 nan 0.000 0.529 335 S N 0.409 116.102 115.700 -0.013 0.000 2.563 335 S HA 0.462 4.932 4.470 0.001 0.000 0.284 335 S C 0.690 175.287 174.600 -0.004 0.000 1.331 335 S CA 0.859 59.057 58.200 -0.003 0.000 1.047 335 S CB 1.441 64.641 63.200 -0.001 0.000 0.859 335 S HN 0.643 nan 8.310 nan 0.000 0.514 336 T N 1.216 115.778 114.554 0.013 0.000 2.874 336 T HA 0.233 4.583 4.350 0.001 0.000 0.281 336 T C 1.566 176.289 174.700 0.039 0.000 0.994 336 T CA -0.784 61.334 62.100 0.031 0.000 1.015 336 T CB 0.651 69.549 68.868 0.049 0.000 1.028 336 T HN 0.274 nan 8.240 nan 0.000 0.523 337 V N 2.591 122.552 119.914 0.078 0.000 2.380 337 V HA -0.139 3.981 4.120 0.001 0.000 0.251 337 V C 2.539 178.614 176.094 -0.032 0.000 1.063 337 V CA 2.421 64.750 62.300 0.048 0.000 1.055 337 V CB -0.741 31.129 31.823 0.080 0.000 0.657 337 V HN 0.956 nan 8.190 nan 0.000 0.455 338 E N -0.136 120.057 120.200 -0.012 0.000 2.160 338 E HA -0.266 4.085 4.350 0.001 0.000 0.195 338 E C 1.818 178.398 176.600 -0.035 0.000 0.991 338 E CA 1.491 57.868 56.400 -0.038 0.000 0.810 338 E CB -0.047 29.680 29.700 0.045 0.000 0.742 338 E HN 0.652 nan 8.360 nan 0.000 0.466 339 D N -0.092 120.307 120.400 -0.003 0.000 2.117 339 D HA -0.138 4.503 4.640 0.001 0.000 0.198 339 D C 2.076 178.362 176.300 -0.025 0.000 0.982 339 D CA 0.926 54.929 54.000 0.005 0.000 0.828 339 D CB -0.228 40.580 40.800 0.013 0.000 0.967 339 D HN 0.126 nan 8.370 nan 0.000 0.464 340 V N 1.469 121.351 119.914 -0.053 0.000 2.295 340 V HA -0.220 3.901 4.120 0.001 0.000 0.246 340 V C 2.735 178.726 176.094 -0.171 0.000 1.049 340 V CA 1.142 63.389 62.300 -0.089 0.000 1.024 340 V CB -0.542 31.232 31.823 -0.083 0.000 0.648 340 V HN 0.189 nan 8.190 nan 0.000 0.447 341 L N -0.556 120.519 121.223 -0.247 0.000 2.012 341 L HA -0.264 4.076 4.340 0.001 0.000 0.210 341 L C 2.659 179.415 176.870 -0.190 0.000 1.073 341 L CA 1.974 56.565 54.840 -0.415 0.000 0.748 341 L CB -0.652 40.961 42.059 -0.744 0.000 0.891 341 L HN 0.297 nan 8.230 nan 0.000 0.431 342 K N -0.193 120.177 120.400 -0.051 0.000 2.032 342 K HA -0.192 4.128 4.320 0.001 0.000 0.209 342 K C 2.184 178.883 176.600 0.165 0.000 1.048 342 K CA 1.333 57.718 56.287 0.163 0.000 0.927 342 K CB 0.029 32.612 32.500 0.139 0.000 0.712 342 K HN 0.123 nan 8.250 nan 0.000 0.441 343 K N 0.198 120.639 120.400 0.068 0.000 2.097 343 K HA -0.102 4.218 4.320 0.001 0.000 0.206 343 K C 2.061 178.701 176.600 0.067 0.000 1.049 343 K CA 1.349 57.671 56.287 0.060 0.000 0.933 343 K CB -0.460 32.050 32.500 0.017 0.000 0.717 343 K HN 0.177 nan 8.250 nan 0.000 0.442 344 A N 1.579 124.408 122.820 0.016 0.000 1.902 344 A HA -0.224 4.096 4.320 0.001 0.000 0.217 344 A C 2.232 179.941 177.584 0.208 0.000 1.181 344 A CA 1.746 53.782 52.037 -0.001 0.000 0.623 344 A CB -0.814 17.945 19.000 -0.401 0.000 0.818 344 A HN 0.468 nan 8.150 nan 0.000 0.443 345 H N 0.700 119.929 119.070 0.265 0.000 2.353 345 H HA -0.161 4.395 4.556 0.001 0.000 0.300 345 H C 2.000 177.431 175.328 0.171 0.000 1.090 345 H CA 1.963 58.195 56.048 0.306 0.000 1.327 345 H CB -0.054 29.922 29.762 0.355 0.000 1.383 345 H HN 0.780 nan 8.280 nan 0.000 0.508 346 E N 0.041 120.316 120.200 0.125 0.000 2.216 346 E HA -0.082 4.268 4.350 0.001 0.000 0.192 346 E C 2.380 178.986 176.600 0.009 0.000 0.988 346 E CA 0.403 56.819 56.400 0.027 0.000 0.834 346 E CB -0.256 29.510 29.700 0.110 0.000 0.772 346 E HN 0.326 nan 8.360 nan 0.000 0.479 347 L N 0.543 121.792 121.223 0.043 0.000 2.023 347 L HA 0.140 4.480 4.340 0.001 0.000 0.205 347 L C 1.193 178.082 176.870 0.033 0.000 1.073 347 L CA 1.977 56.839 54.840 0.036 0.000 0.745 347 L CB -0.000 42.084 42.059 0.042 0.000 0.900 347 L HN 0.302 nan 8.230 nan 0.000 0.435 348 G N -2.834 106.003 108.800 0.062 0.000 2.933 348 G HA2 0.378 4.338 3.960 0.001 0.000 0.203 348 G HA3 0.378 4.338 3.960 0.001 0.000 0.203 348 G C -0.611 174.352 174.900 0.105 0.000 1.170 348 G CA -0.125 45.019 45.100 0.074 0.000 0.880 348 G HN 0.185 nan 8.290 nan 0.000 0.573 349 G N 0.108 109.006 108.800 0.164 0.000 2.741 349 G HA2 0.496 4.457 3.960 0.001 0.000 0.301 349 G HA3 0.496 4.457 3.960 0.001 0.000 0.301 349 G C -1.262 173.819 174.900 0.301 0.000 0.834 349 G CA -0.002 45.201 45.100 0.171 0.000 1.683 349 G HN 0.641 nan 8.290 nan 0.000 0.506 350 F N 2.435 122.406 119.950 0.034 0.000 2.615 350 F HA 0.626 5.153 4.527 0.001 0.000 0.312 350 F C -0.226 175.621 175.800 0.078 0.000 1.119 350 F CA -0.577 57.386 58.000 -0.062 0.000 0.979 350 F CB 2.052 40.947 39.000 -0.173 0.000 1.266 350 F HN 0.447 nan 8.300 nan 0.000 0.444 351 T N 1.875 116.032 114.554 -0.662 0.000 2.865 351 T HA 0.819 5.169 4.350 0.001 0.000 0.294 351 T C -1.407 172.947 174.700 -0.577 0.000 1.119 351 T CA -0.781 61.129 62.100 -0.316 0.000 1.007 351 T CB 2.225 71.000 68.868 -0.155 0.000 1.225 351 T HN 1.047 nan 8.240 nan 0.000 0.515 352 Y N -1.700 118.322 120.300 -0.464 0.000 2.573 352 Y HA 0.742 5.293 4.550 0.001 0.000 0.328 352 Y C -1.629 174.110 175.900 -0.270 0.000 1.170 352 Y CA -1.183 56.667 58.100 -0.417 0.000 1.078 352 Y CB 1.239 39.509 38.460 -0.317 0.000 1.341 352 Y HN 0.592 nan 8.280 nan 0.000 0.459 353 E N 2.316 122.350 120.200 -0.276 0.000 2.212 353 E HA 0.516 4.867 4.350 0.001 0.000 0.268 353 E C -0.774 175.750 176.600 -0.125 0.000 0.902 353 E CA -0.644 55.600 56.400 -0.261 0.000 0.779 353 E CB 2.409 32.001 29.700 -0.180 0.000 1.172 353 E HN 0.832 nan 8.360 nan 0.000 0.409 354 T N -0.769 113.726 114.554 -0.098 0.000 2.926 354 T HA 0.642 4.993 4.350 0.001 0.000 0.289 354 T C -0.181 174.522 174.700 0.005 0.000 1.054 354 T CA -0.833 61.261 62.100 -0.010 0.000 1.015 354 T CB 1.807 70.712 68.868 0.062 0.000 1.167 354 T HN 0.265 nan 8.240 nan 0.000 0.526 355 Q N -0.057 119.788 119.800 0.075 0.000 2.387 355 Q HA 0.679 5.020 4.340 0.001 0.000 0.273 355 Q C -0.515 175.531 176.000 0.077 0.000 1.089 355 Q CA -1.264 54.588 55.803 0.082 0.000 0.824 355 Q CB 2.421 31.247 28.738 0.147 0.000 1.367 355 Q HN 1.039 nan 8.270 nan 0.000 0.443 356 A N 1.281 124.106 122.820 0.007 0.000 2.366 356 A HA 0.648 4.968 4.320 0.001 0.000 0.249 356 A C -0.295 177.271 177.584 -0.029 0.000 1.084 356 A CA 0.182 52.195 52.037 -0.041 0.000 0.794 356 A CB 0.359 19.289 19.000 -0.117 0.000 1.034 356 A HN 0.751 nan 8.150 nan 0.000 0.491 357 S N -0.399 115.269 115.700 -0.055 0.000 2.578 357 S HA 0.377 4.847 4.470 0.001 0.000 0.272 357 S C -0.166 174.388 174.600 -0.078 0.000 1.145 357 S CA -0.633 57.526 58.200 -0.068 0.000 0.835 357 S CB 0.171 63.315 63.200 -0.093 0.000 1.104 357 S HN 0.552 nan 8.310 nan 0.000 0.458 358 L N 1.405 122.588 121.223 -0.065 0.000 2.450 358 L HA 0.074 4.414 4.340 0.001 0.000 0.225 358 L C 2.309 179.115 176.870 -0.105 0.000 1.145 358 L CA 1.738 56.539 54.840 -0.064 0.000 0.801 358 L CB -1.004 41.045 42.059 -0.017 0.000 0.924 358 L HN 0.860 nan 8.230 nan 0.000 0.447 359 S N -1.734 113.907 115.700 -0.099 0.000 2.512 359 S HA 0.513 4.983 4.470 0.001 0.000 0.216 359 S C 0.741 175.300 174.600 -0.067 0.000 1.006 359 S CA 0.440 58.582 58.200 -0.097 0.000 0.915 359 S CB 0.156 63.296 63.200 -0.099 0.000 0.824 359 S HN 0.618 nan 8.310 nan 0.000 0.497 360 G N 1.707 110.479 108.800 -0.047 0.000 2.331 360 G HA2 -0.025 3.936 3.960 0.001 0.000 0.479 360 G HA3 -0.025 3.936 3.960 0.001 0.000 0.479 360 G C -3.289 171.647 174.900 0.059 0.000 1.262 360 G CA -0.922 44.191 45.100 0.021 0.000 1.029 360 G HN 0.057 nan 8.290 nan 0.000 0.487 361 P HA 0.264 nan 4.420 nan 0.000 0.266 361 P C -1.200 176.204 177.300 0.173 0.000 1.215 361 P CA 0.467 63.640 63.100 0.121 0.000 0.763 361 P CB 0.362 32.139 31.700 0.129 0.000 0.806 362 Y N 5.125 125.442 120.300 0.030 0.000 2.335 362 Y HA 0.370 4.921 4.550 0.000 0.000 0.339 362 Y C -0.470 175.471 175.900 0.068 0.000 0.987 362 Y CA -1.583 56.541 58.100 0.039 0.000 1.140 362 Y CB 0.869 39.340 38.460 0.018 0.000 1.173 362 Y HN 0.209 nan 8.280 nan 0.000 0.486 363 L N 6.845 127.933 121.223 -0.224 0.000 2.418 363 L HA 0.231 4.571 4.340 0.001 0.000 0.274 363 L C 0.889 177.529 176.870 -0.383 0.000 1.135 363 L CA 1.055 55.766 54.840 -0.214 0.000 0.870 363 L CB 0.591 42.587 42.059 -0.105 0.000 1.154 363 L HN 0.920 nan 8.230 nan 0.000 0.462 364 T N -0.599 113.820 114.554 -0.225 0.000 2.987 364 T HA 0.242 4.592 4.350 0.001 0.000 0.248 364 T C 0.632 175.353 174.700 0.035 0.000 0.997 364 T CA 0.369 62.412 62.100 -0.095 0.000 1.013 364 T CB 0.060 68.901 68.868 -0.046 0.000 1.077 364 T HN 0.502 nan 8.240 nan 0.000 0.483 365 S N 0.258 115.856 115.700 -0.170 0.000 2.547 365 S HA 0.699 5.169 4.470 0.001 0.000 0.281 365 S C -1.590 172.676 174.600 -0.557 0.000 1.118 365 S CA -0.520 57.541 58.200 -0.232 0.000 0.947 365 S CB 1.917 65.049 63.200 -0.114 0.000 1.053 365 S HN 0.250 nan 8.310 nan 0.000 0.482 366 V N 6.049 125.466 119.914 -0.829 0.000 2.638 366 V HA 0.501 4.621 4.120 0.001 0.000 0.306 366 V C 0.025 175.768 176.094 -0.585 0.000 1.052 366 V CA -0.816 60.929 62.300 -0.925 0.000 0.885 366 V CB 1.654 32.551 31.823 -1.545 0.000 0.999 366 V HN 1.065 nan 8.190 nan 0.000 0.424 367 M N 3.241 122.478 119.600 -0.605 0.000 2.333 367 M HA -0.219 4.262 4.480 0.001 0.000 0.199 367 M C 1.262 177.446 176.300 -0.193 0.000 0.376 367 M CA 1.305 56.372 55.300 -0.387 0.000 0.440 367 M CB -1.950 30.501 32.600 -0.249 0.000 1.506 367 M HN 1.620 nan 8.290 nan 0.000 0.889 368 G N -0.203 108.482 108.800 -0.192 0.000 2.162 368 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 368 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 368 G C 0.040 174.930 174.900 -0.017 0.000 0.976 368 G CA 0.838 45.882 45.100 -0.093 0.000 0.655 368 G HN 0.583 nan 8.290 nan 0.000 0.533 369 K N 1.050 121.468 120.400 0.030 0.000 2.354 369 K HA 0.730 5.051 4.320 0.001 0.000 0.257 369 K C 0.547 177.328 176.600 0.302 0.000 1.062 369 K CA 0.206 56.604 56.287 0.185 0.000 0.971 369 K CB 0.432 33.124 32.500 0.321 0.000 1.305 369 K HN 0.736 nan 8.250 nan 0.000 0.449 370 A N 3.224 126.156 122.820 0.187 0.000 2.450 370 A HA 0.535 4.855 4.320 0.001 0.000 0.255 370 A C 0.115 177.851 177.584 0.254 0.000 1.096 370 A CA -0.092 52.070 52.037 0.209 0.000 0.778 370 A CB 0.051 19.109 19.000 0.097 0.000 1.031 370 A HN 0.887 nan 8.150 nan 0.000 0.494 371 A N 2.950 125.964 122.820 0.324 0.000 2.546 371 A HA 0.467 4.787 4.320 0.001 0.000 0.243 371 A C 1.190 178.833 177.584 0.098 0.000 1.063 371 A CA 0.421 52.535 52.037 0.129 0.000 0.757 371 A CB -0.440 18.648 19.000 0.147 0.000 0.991 371 A HN 1.559 nan 8.150 nan 0.000 0.503 372 G N 1.359 110.183 108.800 0.041 0.000 2.679 372 G HA2 0.273 4.233 3.960 0.001 0.000 0.202 372 G HA3 0.273 4.233 3.960 0.001 0.000 0.202 372 G C 0.748 175.692 174.900 0.073 0.000 1.566 372 G CA 0.642 45.768 45.100 0.044 0.000 1.074 372 G HN 0.860 nan 8.290 nan 0.000 0.564 373 E N -0.359 119.864 120.200 0.038 0.000 2.306 373 E HA 0.054 4.404 4.350 0.001 0.000 0.277 373 E C 1.780 178.402 176.600 0.036 0.000 0.826 373 E CA 0.097 56.514 56.400 0.028 0.000 1.583 373 E CB 0.043 29.730 29.700 -0.023 0.000 1.089 373 E HN 0.240 nan 8.360 nan 0.000 0.580 374 R N 1.378 121.807 120.500 -0.117 0.000 3.385 374 R HA 0.041 4.381 4.340 0.001 0.000 0.236 374 R C -0.553 175.814 176.300 0.112 0.000 1.663 374 R CA 0.135 56.042 56.100 -0.322 0.000 1.444 374 R CB -0.476 29.388 30.300 -0.727 0.000 1.218 374 R HN 0.339 nan 8.270 nan 0.000 0.575 375 E N 0.614 120.996 120.200 0.303 0.000 2.263 375 E HA 0.516 4.866 4.350 0.001 0.000 0.264 375 E C -0.549 176.299 176.600 0.413 0.000 0.923 375 E CA -1.025 55.553 56.400 0.296 0.000 0.802 375 E CB 1.537 31.233 29.700 -0.007 0.000 1.228 375 E HN 0.027 nan 8.360 nan 0.000 0.417 376 F N -2.194 117.758 119.950 0.003 0.000 2.668 376 F HA 0.509 5.036 4.527 0.000 0.000 0.309 376 F C -1.921 173.775 175.800 -0.174 0.000 1.117 376 F CA -1.629 56.326 58.000 -0.074 0.000 0.951 376 F CB 0.867 39.793 39.000 -0.123 0.000 1.323 376 F HN 0.465 nan 8.300 nan 0.000 0.451 377 W N 3.509 124.768 121.300 -0.069 0.000 2.497 377 W HA 0.385 5.045 4.660 0.000 0.000 0.354 377 W C 0.380 176.811 176.519 -0.147 0.000 1.111 377 W CA -0.046 57.199 57.345 -0.168 0.000 1.510 377 W CB 0.714 30.110 29.460 -0.105 0.000 1.466 377 W HN 0.634 nan 8.180 nan 0.000 0.409 378 Q N 3.014 122.685 119.800 -0.215 0.000 2.352 378 Q HA 0.305 4.645 4.340 0.001 0.000 0.260 378 Q C -0.518 175.530 176.000 0.080 0.000 0.976 378 Q CA -0.168 55.588 55.803 -0.079 0.000 0.881 378 Q CB 0.699 29.269 28.738 -0.281 0.000 1.235 378 Q HN 0.448 nan 8.270 nan 0.000 0.419 379 L N 4.849 126.133 121.223 0.103 0.000 2.295 379 L HA 0.533 4.874 4.340 0.001 0.000 0.285 379 L C -0.754 176.102 176.870 -0.024 0.000 1.035 379 L CA -0.636 54.221 54.840 0.027 0.000 0.806 379 L CB 0.876 42.934 42.059 -0.002 0.000 1.214 379 L HN 0.555 nan 8.230 nan 0.000 0.426 380 L N 3.459 124.651 121.223 -0.051 0.000 2.409 380 L HA 0.601 4.942 4.340 0.001 0.000 0.262 380 L C -0.426 176.386 176.870 -0.098 0.000 0.992 380 L CA -0.516 54.286 54.840 -0.063 0.000 0.817 380 L CB 2.476 44.523 42.059 -0.019 0.000 1.350 380 L HN 0.548 nan 8.230 nan 0.000 0.411 381 R N 1.420 121.859 120.500 -0.101 0.000 2.343 381 R HA 0.291 4.631 4.340 0.001 0.000 0.320 381 R C -1.118 175.170 176.300 -0.020 0.000 0.956 381 R CA -0.653 55.404 56.100 -0.072 0.000 0.836 381 R CB 1.474 31.724 30.300 -0.085 0.000 1.151 381 R HN 0.695 nan 8.270 nan 0.000 0.450 382 D N 4.868 125.267 120.400 -0.003 0.000 2.455 382 D HA 0.084 4.724 4.640 0.001 0.000 0.241 382 D C -1.992 174.316 176.300 0.012 0.000 1.138 382 D CA -0.690 53.314 54.000 0.007 0.000 0.877 382 D CB 0.962 41.769 40.800 0.011 0.000 1.187 382 D HN 0.270 nan 8.370 nan 0.000 0.451 383 P HA 0.324 nan 4.420 nan 0.000 0.291 383 P C -0.831 176.475 177.300 0.009 0.000 1.378 383 P CA -0.550 62.556 63.100 0.010 0.000 0.853 383 P CB 0.915 32.622 31.700 0.012 0.000 1.002 384 N N -0.222 118.482 118.700 0.007 0.000 2.713 384 N HA -0.134 4.606 4.740 0.001 0.000 0.251 384 N C -0.416 175.099 175.510 0.009 0.000 1.117 384 N CA 1.737 54.792 53.050 0.008 0.000 0.770 384 N CB -1.880 36.614 38.487 0.012 0.000 1.137 384 N HN 0.609 nan 8.380 nan 0.000 0.566 385 T N -1.276 113.279 114.554 0.002 0.000 2.738 385 T HA 0.486 4.837 4.350 0.001 0.000 0.298 385 T C -2.492 172.198 174.700 -0.017 0.000 0.962 385 T CA -1.722 60.378 62.100 0.000 0.000 0.972 385 T CB 2.229 71.097 68.868 0.001 0.000 0.928 385 T HN -0.059 nan 8.240 nan 0.000 0.474 386 P HA 0.156 nan 4.420 nan 0.000 0.268 386 P C 0.002 177.275 177.300 -0.044 0.000 1.205 386 P CA -0.491 62.611 63.100 0.002 0.000 0.771 386 P CB 0.805 32.546 31.700 0.069 0.000 0.858 387 L N 3.088 124.258 121.223 -0.087 0.000 2.397 387 L HA 0.142 4.482 4.340 0.001 0.000 0.271 387 L C 1.826 178.652 176.870 -0.074 0.000 1.148 387 L CA -0.341 54.405 54.840 -0.157 0.000 0.825 387 L CB 0.080 41.958 42.059 -0.301 0.000 1.117 387 L HN 0.332 nan 8.230 nan 0.000 0.456 388 L N 2.132 123.336 121.223 -0.032 0.000 2.592 388 L HA 0.147 4.487 4.340 0.001 0.000 0.227 388 L C 0.381 177.238 176.870 -0.022 0.000 1.127 388 L CA 0.359 55.201 54.840 0.003 0.000 0.884 388 L CB -0.043 42.085 42.059 0.115 0.000 1.065 388 L HN 0.694 nan 8.230 nan 0.000 0.457 389 Q N -1.548 118.242 119.800 -0.016 0.000 2.495 389 Q HA 0.536 4.877 4.340 0.001 0.000 0.287 389 Q C -0.113 175.887 176.000 0.000 0.000 1.078 389 Q CA -0.632 55.142 55.803 -0.048 0.000 0.793 389 Q CB 2.178 30.953 28.738 0.061 0.000 1.459 389 Q HN 0.095 nan 8.270 nan 0.000 0.422 390 G N 0.152 108.955 108.800 0.004 0.000 2.547 390 G HA2 0.325 4.285 3.960 0.001 0.000 0.291 390 G HA3 0.325 4.285 3.960 0.001 0.000 0.291 390 G C 0.859 175.806 174.900 0.078 0.000 1.211 390 G CA -0.501 44.628 45.100 0.048 0.000 0.950 390 G HN 0.817 nan 8.290 nan 0.000 0.504 391 I N -2.424 118.189 120.570 0.072 0.000 2.502 391 I HA -0.082 4.088 4.170 0.001 0.000 0.258 391 I C 1.922 178.089 176.117 0.084 0.000 1.172 391 I CA 1.865 63.203 61.300 0.064 0.000 1.430 391 I CB -0.002 38.013 38.000 0.024 0.000 1.086 391 I HN 0.275 nan 8.210 nan 0.000 0.440 392 A N -0.257 122.619 122.820 0.094 0.000 2.387 392 A HA 0.166 4.486 4.320 0.001 0.000 0.234 392 A C 1.262 178.906 177.584 0.099 0.000 1.253 392 A CA 0.127 52.226 52.037 0.105 0.000 0.894 392 A CB -0.099 18.981 19.000 0.132 0.000 0.963 392 A HN 0.476 nan 8.150 nan 0.000 0.508 393 D N -2.505 117.949 120.400 0.090 0.000 2.448 393 D HA 0.098 4.739 4.640 0.001 0.000 0.256 393 D C -0.491 175.854 176.300 0.076 0.000 1.108 393 D CA 0.033 54.072 54.000 0.065 0.000 0.848 393 D CB 0.140 40.950 40.800 0.016 0.000 1.281 393 D HN 0.403 nan 8.370 nan 0.000 0.509 394 Y N 2.435 122.733 120.300 -0.003 0.000 2.393 394 Y HA 0.287 4.837 4.550 0.000 0.000 0.338 394 Y C -0.046 175.857 175.900 0.004 0.000 1.029 394 Y CA -0.159 57.940 58.100 -0.001 0.000 1.239 394 Y CB 0.388 38.846 38.460 -0.003 0.000 1.170 394 Y HN -0.408 nan 8.280 nan 0.000 0.515 395 R N 8.118 128.323 120.500 -0.491 0.000 2.332 395 R HA 0.303 4.643 4.340 0.001 0.000 0.306 395 R C -2.468 173.552 176.300 -0.466 0.000 1.117 395 R CA -1.937 53.971 56.100 -0.320 0.000 1.108 395 R CB 0.436 30.625 30.300 -0.184 0.000 1.126 395 R HN 0.512 nan 8.270 nan 0.000 0.548 396 P HA -0.020 nan 4.420 nan 0.000 0.270 396 P C -0.689 176.574 177.300 -0.062 0.000 1.223 396 P CA 0.024 63.088 63.100 -0.060 0.000 0.785 396 P CB 0.955 32.751 31.700 0.160 0.000 0.923 397 K N 0.545 120.936 120.400 -0.015 0.000 2.177 397 K HA 0.265 4.585 4.320 0.001 0.000 0.238 397 K C -0.018 176.586 176.600 0.007 0.000 1.015 397 K CA -0.831 55.448 56.287 -0.013 0.000 0.922 397 K CB 0.430 32.924 32.500 -0.010 0.000 1.127 397 K HN 0.396 nan 8.250 nan 0.000 0.469 398 D N 0.018 120.418 120.400 0.001 0.000 2.458 398 D HA 0.072 4.712 4.640 0.001 0.000 0.243 398 D C 0.843 177.149 176.300 0.009 0.000 1.146 398 D CA 1.624 55.626 54.000 0.003 0.000 0.877 398 D CB 0.247 41.046 40.800 -0.000 0.000 1.176 398 D HN 0.709 nan 8.370 nan 0.000 0.461 399 G N 2.976 111.781 108.800 0.008 0.000 2.153 399 G HA2 -0.297 3.663 3.960 0.001 0.000 0.252 399 G HA3 -0.297 3.663 3.960 0.001 0.000 0.252 399 G C 0.358 175.268 174.900 0.017 0.000 0.994 399 G CA 0.507 45.612 45.100 0.009 0.000 0.698 399 G HN 0.615 nan 8.290 nan 0.000 0.521 400 E N 0.058 120.275 120.200 0.028 0.000 2.283 400 E HA 0.577 4.927 4.350 0.001 0.000 0.271 400 E C -0.141 176.480 176.600 0.035 0.000 1.031 400 E CA -0.237 56.190 56.400 0.044 0.000 0.868 400 E CB 0.702 30.450 29.700 0.081 0.000 1.094 400 E HN 0.132 nan 8.360 nan 0.000 0.401 401 T N 3.733 118.306 114.554 0.031 0.000 2.797 401 T HA 0.414 4.764 4.350 0.001 0.000 0.279 401 T C -0.465 174.243 174.700 0.013 0.000 0.991 401 T CA -0.662 61.449 62.100 0.018 0.000 0.979 401 T CB 0.526 69.402 68.868 0.013 0.000 0.943 401 T HN 0.253 nan 8.240 nan 0.000 0.444 402 I N 2.831 123.404 120.570 0.005 0.000 2.378 402 I HA 0.392 4.562 4.170 0.001 0.000 0.291 402 I C 0.385 176.503 176.117 0.001 0.000 0.992 402 I CA -0.776 60.515 61.300 -0.015 0.000 1.154 402 I CB 1.512 39.497 38.000 -0.024 0.000 1.315 402 I HN 0.700 nan 8.210 nan 0.000 0.448 403 E N 6.678 126.881 120.200 0.005 0.000 2.166 403 E HA 0.506 4.857 4.350 0.001 0.000 0.275 403 E C -1.350 175.285 176.600 0.059 0.000 0.941 403 E CA -0.680 55.745 56.400 0.042 0.000 0.784 403 E CB 1.603 31.328 29.700 0.042 0.000 1.115 403 E HN 0.474 nan 8.360 nan 0.000 0.399 404 L N 5.238 126.528 121.223 0.110 0.000 2.262 404 L HA 0.484 4.824 4.340 0.001 0.000 0.288 404 L C 0.212 177.308 176.870 0.377 0.000 1.035 404 L CA -0.445 54.511 54.840 0.194 0.000 0.820 404 L CB 0.976 43.085 42.059 0.085 0.000 1.204 404 L HN 0.332 nan 8.230 nan 0.000 0.424 405 R N 3.537 124.204 120.500 0.278 0.000 2.534 405 R HA 0.434 4.775 4.340 0.001 0.000 0.301 405 R C -1.240 174.914 176.300 -0.243 0.000 0.961 405 R CA -0.927 55.217 56.100 0.073 0.000 0.871 405 R CB 1.776 32.061 30.300 -0.026 0.000 1.170 405 R HN 0.437 nan 8.270 nan 0.000 0.446 406 L N 7.040 127.893 121.223 -0.617 0.000 2.358 406 L HA 0.214 4.555 4.340 0.001 0.000 0.274 406 L C -0.415 176.115 176.870 -0.566 0.000 1.136 406 L CA -0.263 53.980 54.840 -0.996 0.000 0.970 406 L CB 0.726 41.935 42.059 -1.416 0.000 1.314 406 L HN 0.449 nan 8.230 nan 0.000 0.427 407 V N 1.058 120.635 119.914 -0.562 0.000 3.134 407 V HA 0.760 4.881 4.120 0.001 0.000 0.313 407 V C 0.248 176.203 176.094 -0.232 0.000 1.069 407 V CA -0.580 61.500 62.300 -0.366 0.000 1.048 407 V CB 1.482 33.087 31.823 -0.363 0.000 1.119 407 V HN 0.668 nan 8.190 nan 0.000 0.461 408 S N 1.718 117.400 115.700 -0.031 0.000 2.502 408 S HA 0.664 5.134 4.470 0.001 0.000 0.304 408 S C -0.833 173.937 174.600 0.283 0.000 1.097 408 S CA -0.554 57.725 58.200 0.132 0.000 1.045 408 S CB 1.149 64.357 63.200 0.013 0.000 1.019 408 S HN 1.086 nan 8.310 nan 0.000 0.481 409 W N 0.000 121.335 121.300 0.059 0.000 2.388 409 W HA 0.000 4.660 4.660 0.001 0.000 0.303 409 W CA 0.000 57.371 57.345 0.043 0.000 1.226 409 W CB 0.000 29.535 29.460 0.125 0.000 1.126 409 W HN 0.000 nan 8.180 nan 0.000 0.535