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 3d0q_1_A DATA FIRST_RESID -2 DATA SEQUENCE HXRVLFVSSP GIGHLFPLIQ LAWGFRTAGH DVLIAVAEHA DRAAAAGLEV DATA SEQUENCE VDVAPDYSAV KVFEQVAKDN PRFAETVATR PAIDLEEWGV QIAAVNRPLV DATA SEQUENCE DGTXALVDDY RPDLVVYEQG ATVGLLAADR AGVPAVQRNQ SAWRTRGXHR DATA SEQUENCE SIASFLTDLX DKHQVSLPEP VATIESFPPS LLLEAEPEGW FXRWVPYGGG DATA SEQUENCE AVLGDRLPPV PARPEVAITX GTIELQAFGI GAVEPIIAAA GEVDADFVLA DATA SEQUENCE LGDLDISPLG TLPRNVRAVG WTPLHTLLRT CTAVVHHGGG GTVXTAIDAG DATA SEQUENCE IPQLLAPDPR DQFQHTAREA VSRRGIGLVS TSDKVDADLL RRLIGDESLR DATA SEQUENCE TAAREVREEX VALPTPAETV RRIVERI 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 -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.444 175.328 0.193 0.000 0.993 -2 H CA 0.000 56.107 56.048 0.098 0.000 1.023 -2 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 1 V N 3.908 123.866 119.914 0.073 0.000 2.495 1 V HA 0.507 4.629 4.120 0.002 0.000 0.298 1 V C -0.706 175.486 176.094 0.165 0.000 1.031 1 V CA -0.857 61.417 62.300 -0.044 0.000 0.871 1 V CB 1.853 33.475 31.823 -0.335 0.000 0.988 1 V HN 0.507 nan 8.190 nan 0.000 0.432 2 L N 5.258 126.501 121.223 0.033 0.000 2.313 2 L HA 0.659 5.000 4.340 0.002 0.000 0.283 2 L C -1.102 175.690 176.870 -0.131 0.000 1.013 2 L CA 0.083 54.948 54.840 0.042 0.000 0.816 2 L CB 1.143 43.241 42.059 0.066 0.000 1.236 2 L HN 0.469 nan 8.230 nan 0.000 0.419 3 F N 4.733 124.634 119.950 -0.081 0.000 2.415 3 F HA 0.576 5.104 4.527 0.002 0.000 0.348 3 F C -0.143 175.634 175.800 -0.038 0.000 1.119 3 F CA -0.595 57.369 58.000 -0.060 0.000 1.069 3 F CB 1.793 40.754 39.000 -0.064 0.000 1.124 3 F HN 0.122 nan 8.300 nan 0.000 0.472 4 V N 2.853 122.828 119.914 0.101 0.000 2.409 4 V HA 0.475 4.596 4.120 0.002 0.000 0.291 4 V C -0.436 175.725 176.094 0.111 0.000 1.020 4 V CA -0.598 61.750 62.300 0.079 0.000 0.848 4 V CB 1.548 33.394 31.823 0.039 0.000 0.990 4 V HN 0.717 nan 8.190 nan 0.000 0.430 5 S N 3.541 119.292 115.700 0.086 0.000 2.561 5 S HA 0.640 5.111 4.470 0.002 0.000 0.303 5 S C -0.061 174.577 174.600 0.063 0.000 1.110 5 S CA -0.403 57.855 58.200 0.096 0.000 1.034 5 S CB 1.544 64.804 63.200 0.100 0.000 1.010 5 S HN 1.036 nan 8.310 nan 0.000 0.482 6 S N 4.837 120.609 115.700 0.119 0.000 2.632 6 S HA 0.673 5.144 4.470 0.002 0.000 0.271 6 S C -2.899 171.698 174.600 -0.004 0.000 1.260 6 S CA -1.291 56.944 58.200 0.058 0.000 1.010 6 S CB 0.444 63.713 63.200 0.115 0.000 0.965 6 S HN 0.519 nan 8.310 nan 0.000 0.534 7 P HA 0.452 nan 4.420 nan 0.000 0.267 7 P C 0.178 177.187 177.300 -0.485 0.000 1.200 7 P CA 0.778 63.652 63.100 -0.376 0.000 0.772 7 P CB 0.190 31.531 31.700 -0.598 0.000 0.855 8 G N 1.644 110.105 108.800 -0.565 0.000 2.306 8 G HA2 0.040 4.001 3.960 0.002 0.000 0.340 8 G HA3 0.040 4.001 3.960 0.002 0.000 0.340 8 G C -0.979 173.563 174.900 -0.596 0.000 1.630 8 G CA -0.961 43.670 45.100 -0.782 0.000 0.937 8 G HN 0.412 nan 8.290 nan 0.000 0.693 9 I N 1.677 122.061 120.570 -0.309 0.000 2.741 9 I HA 0.280 4.451 4.170 0.002 0.000 0.288 9 I C 1.725 177.857 176.117 0.026 0.000 1.192 9 I CA 1.902 63.135 61.300 -0.113 0.000 1.426 9 I CB 0.589 38.566 38.000 -0.038 0.000 1.367 9 I HN 1.888 nan 8.210 nan 0.000 0.563 10 G N 4.202 113.035 108.800 0.055 0.000 2.176 10 G HA2 -0.288 3.673 3.960 0.002 0.000 0.253 10 G HA3 -0.288 3.673 3.960 0.002 0.000 0.253 10 G C 0.823 175.874 174.900 0.252 0.000 0.979 10 G CA 0.292 45.493 45.100 0.169 0.000 0.641 10 G HN 0.827 nan 8.290 nan 0.000 0.530 11 H N -0.920 118.155 119.070 0.009 0.000 2.395 11 H HA 0.101 4.658 4.556 0.002 0.000 0.299 11 H C 2.648 178.009 175.328 0.055 0.000 1.070 11 H CA 1.238 57.302 56.048 0.028 0.000 1.356 11 H CB 0.204 29.959 29.762 -0.011 0.000 1.401 11 H HN 0.395 nan 8.280 nan 0.000 0.524 12 L N 0.170 121.483 121.223 0.149 0.000 2.062 12 L HA -0.087 4.254 4.340 0.002 0.000 0.202 12 L C 1.949 178.963 176.870 0.240 0.000 1.079 12 L CA 1.216 56.134 54.840 0.130 0.000 0.755 12 L CB -0.777 41.310 42.059 0.047 0.000 0.913 12 L HN -0.003 nan 8.230 nan 0.000 0.445 13 F N 1.224 121.245 119.950 0.119 0.000 2.085 13 F HA -0.146 4.382 4.527 0.001 0.000 0.299 13 F C -0.394 175.435 175.800 0.049 0.000 1.096 13 F CA 1.499 59.578 58.000 0.132 0.000 1.227 13 F CB -2.736 36.408 39.000 0.240 0.000 0.983 13 F HN 0.270 nan 8.300 nan 0.000 0.482 14 P HA -0.036 nan 4.420 nan 0.000 0.247 14 P C 1.528 178.886 177.300 0.097 0.000 1.225 14 P CA 0.984 64.212 63.100 0.214 0.000 0.768 14 P CB -0.383 31.571 31.700 0.425 0.000 1.020 15 L N -1.293 119.967 121.223 0.062 0.000 2.416 15 L HA 0.022 4.363 4.340 0.002 0.000 0.216 15 L C 2.348 179.073 176.870 -0.242 0.000 1.098 15 L CA 0.199 55.058 54.840 0.031 0.000 0.840 15 L CB -0.478 41.659 42.059 0.130 0.000 0.981 15 L HN -0.140 nan 8.230 nan 0.000 0.462 16 I N 0.136 120.454 120.570 -0.420 0.000 2.091 16 I HA -0.296 3.875 4.170 0.002 0.000 0.239 16 I C 2.637 178.214 176.117 -0.900 0.000 1.061 16 I CA 1.525 62.305 61.300 -0.866 0.000 1.317 16 I CB -1.223 35.969 38.000 -1.347 0.000 1.031 16 I HN 0.388 nan 8.210 nan 0.000 0.401 17 Q N 0.484 119.883 119.800 -0.669 0.000 2.133 17 Q HA -0.195 4.146 4.340 0.002 0.000 0.208 17 Q C 2.442 178.387 176.000 -0.092 0.000 0.991 17 Q CA 1.480 57.083 55.803 -0.333 0.000 0.867 17 Q CB -0.596 28.002 28.738 -0.234 0.000 0.911 17 Q HN 0.553 nan 8.270 nan 0.000 0.417 18 L N -0.092 121.115 121.223 -0.026 0.000 2.056 18 L HA -0.158 4.183 4.340 0.002 0.000 0.207 18 L C 2.526 179.569 176.870 0.289 0.000 1.078 18 L CA 0.997 55.982 54.840 0.242 0.000 0.749 18 L CB -0.657 41.693 42.059 0.486 0.000 0.901 18 L HN 0.148 nan 8.230 nan 0.000 0.433 19 A N -0.368 122.267 122.820 -0.309 0.000 1.858 19 A HA -0.231 4.090 4.320 0.002 0.000 0.216 19 A C 1.940 179.565 177.584 0.067 0.000 1.190 19 A CA 1.508 53.230 52.037 -0.526 0.000 0.617 19 A CB -0.918 17.476 19.000 -1.011 0.000 0.827 19 A HN 0.474 nan 8.150 nan 0.000 0.443 20 W N -0.149 121.070 121.300 -0.135 0.000 2.338 20 W HA -0.069 4.592 4.660 0.001 0.000 0.304 20 W C 2.574 179.098 176.519 0.008 0.000 1.212 20 W CA 0.704 58.009 57.345 -0.067 0.000 1.264 20 W CB -1.516 27.873 29.460 -0.119 0.000 1.142 20 W HN 0.399 nan 8.180 nan 0.000 0.512 21 G N -0.721 108.233 108.800 0.257 0.000 2.442 21 G HA2 -0.287 3.674 3.960 0.002 0.000 0.219 21 G HA3 -0.287 3.674 3.960 0.002 0.000 0.219 21 G C 1.475 176.426 174.900 0.085 0.000 1.141 21 G CA 0.835 46.005 45.100 0.116 0.000 0.763 21 G HN 0.177 nan 8.290 nan 0.000 0.554 22 F N 0.212 120.282 119.950 0.201 0.000 2.206 22 F HA 0.149 4.677 4.527 0.001 0.000 0.298 22 F C 2.699 178.672 175.800 0.289 0.000 1.090 22 F CA 1.093 59.242 58.000 0.248 0.000 1.323 22 F CB -0.019 39.128 39.000 0.246 0.000 1.028 22 F HN -0.004 nan 8.300 nan 0.000 0.492 23 R N 0.824 121.556 120.500 0.388 0.000 2.075 23 R HA -0.116 4.225 4.340 0.002 0.000 0.232 23 R C 2.145 178.550 176.300 0.175 0.000 1.126 23 R CA 2.198 58.460 56.100 0.270 0.000 0.963 23 R CB -1.398 29.027 30.300 0.209 0.000 0.858 23 R HN 0.323 nan 8.270 nan 0.000 0.435 24 T N -2.468 112.165 114.554 0.132 0.000 3.035 24 T HA 0.078 4.429 4.350 0.002 0.000 0.268 24 T C 1.617 176.357 174.700 0.066 0.000 1.109 24 T CA 0.825 62.961 62.100 0.060 0.000 1.119 24 T CB -0.159 68.722 68.868 0.021 0.000 0.900 24 T HN 0.214 nan 8.240 nan 0.000 0.503 25 A N 0.562 123.458 122.820 0.126 0.000 2.251 25 A HA 0.641 4.963 4.320 0.002 0.000 0.209 25 A C 1.961 179.557 177.584 0.019 0.000 1.187 25 A CA 0.402 52.509 52.037 0.116 0.000 0.823 25 A CB -0.795 18.322 19.000 0.195 0.000 0.846 25 A HN 1.165 nan 8.150 nan 0.000 0.486 26 G N -1.419 107.406 108.800 0.042 0.000 2.179 26 G HA2 -0.176 3.785 3.960 0.002 0.000 0.220 26 G HA3 -0.176 3.785 3.960 0.002 0.000 0.220 26 G C 0.119 175.040 174.900 0.036 0.000 0.990 26 G CA 0.120 45.207 45.100 -0.022 0.000 0.646 26 G HN 0.644 nan 8.290 nan 0.000 0.517 27 H N 0.818 120.049 119.070 0.268 0.000 2.546 27 H HA 0.353 4.910 4.556 0.001 0.000 0.365 27 H C -0.384 175.072 175.328 0.212 0.000 1.220 27 H CA -0.081 56.100 56.048 0.221 0.000 1.386 27 H CB 0.781 30.689 29.762 0.244 0.000 1.510 27 H HN 0.173 nan 8.280 nan 0.000 0.591 28 D N 1.150 121.698 120.400 0.246 0.000 2.304 28 D HA 0.215 4.856 4.640 0.002 0.000 0.250 28 D C -0.430 176.044 176.300 0.289 0.000 1.107 28 D CA -0.122 54.033 54.000 0.258 0.000 0.885 28 D CB 1.692 42.628 40.800 0.226 0.000 1.192 28 D HN 0.076 nan 8.370 nan 0.000 0.436 29 V N 3.418 123.495 119.914 0.272 0.000 2.638 29 V HA 0.414 4.535 4.120 0.002 0.000 0.306 29 V C -0.632 175.547 176.094 0.141 0.000 1.052 29 V CA -0.805 61.640 62.300 0.242 0.000 0.885 29 V CB 2.152 34.095 31.823 0.199 0.000 0.999 29 V HN 0.302 nan 8.190 nan 0.000 0.424 30 L N 6.032 127.302 121.223 0.078 0.000 2.431 30 L HA 0.698 5.039 4.340 0.002 0.000 0.266 30 L C -1.119 175.733 176.870 -0.029 0.000 0.978 30 L CA -0.237 54.533 54.840 -0.117 0.000 0.822 30 L CB 1.982 43.705 42.059 -0.561 0.000 1.310 30 L HN 0.463 nan 8.230 nan 0.000 0.409 31 I N 3.945 124.491 120.570 -0.040 0.000 2.377 31 I HA 0.638 4.810 4.170 0.002 0.000 0.293 31 I C 0.158 176.260 176.117 -0.024 0.000 0.987 31 I CA -0.719 60.589 61.300 0.013 0.000 1.185 31 I CB 1.277 39.266 38.000 -0.019 0.000 1.341 31 I HN 0.759 nan 8.210 nan 0.000 0.455 32 A N 7.020 129.837 122.820 -0.004 0.000 2.258 32 A HA 0.721 5.042 4.320 0.002 0.000 0.316 32 A C -0.159 177.416 177.584 -0.015 0.000 1.279 32 A CA -0.443 51.577 52.037 -0.029 0.000 0.876 32 A CB 1.055 20.030 19.000 -0.042 0.000 1.170 32 A HN 0.690 nan 8.150 nan 0.000 0.520 33 V N -0.844 119.050 119.914 -0.033 0.000 3.156 33 V HA 0.962 5.083 4.120 0.002 0.000 0.311 33 V C 0.249 176.286 176.094 -0.094 0.000 1.208 33 V CA -0.069 62.199 62.300 -0.053 0.000 1.063 33 V CB 1.725 33.523 31.823 -0.042 0.000 1.098 33 V HN 1.444 nan 8.190 nan 0.000 0.452 34 A N 0.488 123.207 122.820 -0.168 0.000 2.600 34 A HA 0.602 4.923 4.320 0.002 0.000 0.252 34 A C 0.270 177.668 177.584 -0.310 0.000 1.200 34 A CA 0.529 52.431 52.037 -0.225 0.000 0.981 34 A CB -0.168 18.655 19.000 -0.294 0.000 1.207 34 A HN 1.187 nan 8.150 nan 0.000 0.577 35 E N -1.685 118.325 120.200 -0.317 0.000 2.366 35 E HA 0.530 4.881 4.350 0.002 0.000 0.278 35 E C -0.723 175.684 176.600 -0.322 0.000 0.923 35 E CA -0.975 55.169 56.400 -0.428 0.000 0.761 35 E CB 0.365 29.681 29.700 -0.640 0.000 1.231 35 E HN 0.330 nan 8.360 nan 0.000 0.443 36 H N 0.697 119.715 119.070 -0.087 0.000 2.748 36 H HA -0.186 4.371 4.556 0.002 0.000 0.322 36 H C 0.733 176.035 175.328 -0.043 0.000 1.208 36 H CA 0.230 56.236 56.048 -0.070 0.000 1.151 36 H CB -1.317 28.384 29.762 -0.102 0.000 1.505 36 H HN 0.710 nan 8.280 nan 0.000 0.429 37 A N 0.848 123.688 122.820 0.035 0.000 1.969 37 A HA -0.198 4.123 4.320 0.002 0.000 0.218 37 A C 2.257 179.870 177.584 0.048 0.000 1.169 37 A CA 1.500 53.552 52.037 0.025 0.000 0.635 37 A CB -0.094 18.904 19.000 -0.002 0.000 0.810 37 A HN 0.708 nan 8.150 nan 0.000 0.445 38 D N -0.054 120.379 120.400 0.055 0.000 2.178 38 D HA -0.214 4.427 4.640 0.002 0.000 0.201 38 D C 1.860 178.207 176.300 0.077 0.000 0.980 38 D CA 1.247 55.281 54.000 0.056 0.000 0.842 38 D CB -0.594 40.232 40.800 0.044 0.000 0.948 38 D HN 0.463 nan 8.370 nan 0.000 0.472 39 R N 0.334 120.892 120.500 0.097 0.000 2.092 39 R HA 0.060 4.401 4.340 0.002 0.000 0.231 39 R C 2.448 178.860 176.300 0.188 0.000 1.119 39 R CA 1.299 57.484 56.100 0.141 0.000 0.970 39 R CB -0.326 30.044 30.300 0.116 0.000 0.864 39 R HN 0.301 nan 8.270 nan 0.000 0.440 40 A N 0.888 123.788 122.820 0.133 0.000 1.969 40 A HA -0.044 4.277 4.320 0.002 0.000 0.218 40 A C 2.285 179.916 177.584 0.078 0.000 1.169 40 A CA 1.475 53.569 52.037 0.094 0.000 0.635 40 A CB -0.385 18.642 19.000 0.045 0.000 0.810 40 A HN 0.385 nan 8.150 nan 0.000 0.445 41 A N -0.133 122.732 122.820 0.076 0.000 1.930 41 A HA 0.235 4.556 4.320 0.002 0.000 0.217 41 A C 2.281 179.927 177.584 0.103 0.000 1.175 41 A CA 1.643 53.724 52.037 0.073 0.000 0.627 41 A CB -0.769 18.265 19.000 0.056 0.000 0.815 41 A HN 1.057 nan 8.150 nan 0.000 0.443 42 A N -0.842 122.053 122.820 0.125 0.000 2.239 42 A HA 0.443 4.764 4.320 0.002 0.000 0.209 42 A C 1.710 179.430 177.584 0.227 0.000 1.171 42 A CA 1.071 53.198 52.037 0.151 0.000 0.768 42 A CB -0.549 18.531 19.000 0.133 0.000 0.790 42 A HN 0.972 nan 8.150 nan 0.000 0.478 43 A N -1.458 121.500 122.820 0.230 0.000 2.460 43 A HA 0.471 4.792 4.320 0.002 0.000 0.258 43 A C 1.493 179.297 177.584 0.366 0.000 1.300 43 A CA 0.723 52.943 52.037 0.304 0.000 0.913 43 A CB -0.906 18.093 19.000 -0.002 0.000 1.031 43 A HN 1.697 nan 8.150 nan 0.000 0.512 44 G N -0.729 108.207 108.800 0.225 0.000 2.160 44 G HA2 -0.220 3.741 3.960 0.002 0.000 0.251 44 G HA3 -0.220 3.741 3.960 0.002 0.000 0.251 44 G C 0.010 174.996 174.900 0.143 0.000 1.008 44 G CA 0.639 45.837 45.100 0.164 0.000 0.724 44 G HN 0.490 nan 8.290 nan 0.000 0.514 45 L N -0.889 120.405 121.223 0.117 0.000 2.332 45 L HA 0.683 5.024 4.340 0.002 0.000 0.269 45 L C 0.422 177.316 176.870 0.040 0.000 1.016 45 L CA -1.152 53.730 54.840 0.070 0.000 0.809 45 L CB 1.315 43.382 42.059 0.013 0.000 1.280 45 L HN 0.091 nan 8.230 nan 0.000 0.447 46 E N 0.569 120.783 120.200 0.024 0.000 2.200 46 E HA 0.452 4.803 4.350 0.002 0.000 0.283 46 E C -1.295 175.293 176.600 -0.020 0.000 1.015 46 E CA -0.352 56.052 56.400 0.008 0.000 0.819 46 E CB 1.773 31.480 29.700 0.011 0.000 1.081 46 E HN 0.190 nan 8.360 nan 0.000 0.397 47 V N 2.869 122.772 119.914 -0.018 0.000 2.656 47 V HA 0.408 4.529 4.120 0.002 0.000 0.307 47 V C -0.443 175.629 176.094 -0.036 0.000 1.051 47 V CA -1.051 61.232 62.300 -0.028 0.000 0.893 47 V CB 1.866 33.684 31.823 -0.009 0.000 0.999 47 V HN 0.365 nan 8.190 nan 0.000 0.426 48 V N 2.198 122.080 119.914 -0.053 0.000 2.417 48 V HA 0.382 4.503 4.120 0.002 0.000 0.291 48 V C -0.324 175.746 176.094 -0.040 0.000 1.024 48 V CA -0.397 61.874 62.300 -0.048 0.000 0.861 48 V CB 1.796 33.578 31.823 -0.069 0.000 0.985 48 V HN 0.941 nan 8.190 nan 0.000 0.436 49 D N 3.725 124.107 120.400 -0.031 0.000 2.374 49 D HA 0.118 4.759 4.640 0.002 0.000 0.240 49 D C 0.912 177.196 176.300 -0.028 0.000 1.229 49 D CA -0.186 53.794 54.000 -0.033 0.000 0.895 49 D CB 1.609 42.394 40.800 -0.026 0.000 1.046 49 D HN 0.432 nan 8.370 nan 0.000 0.498 50 V N 1.905 121.799 119.914 -0.034 0.000 3.630 50 V HA 0.437 4.558 4.120 0.002 0.000 0.273 50 V C 0.711 176.801 176.094 -0.007 0.000 1.248 50 V CA 0.389 62.674 62.300 -0.025 0.000 1.170 50 V CB -0.697 31.106 31.823 -0.035 0.000 0.899 50 V HN 0.544 nan 8.190 nan 0.000 0.457 51 A N 0.388 123.208 122.820 0.000 0.000 3.158 51 A HA 0.699 5.020 4.320 0.002 0.000 0.302 51 A C -1.917 175.698 177.584 0.051 0.000 1.162 51 A CA -0.612 51.450 52.037 0.042 0.000 0.824 51 A CB 0.750 19.806 19.000 0.094 0.000 1.322 51 A HN 0.273 nan 8.150 nan 0.000 0.510 52 P HA -0.048 nan 4.420 nan 0.000 0.222 52 P C 0.178 177.502 177.300 0.040 0.000 1.147 52 P CA 1.238 64.353 63.100 0.024 0.000 0.790 52 P CB 0.305 32.012 31.700 0.013 0.000 0.780 53 D N -2.022 118.407 120.400 0.048 0.000 2.491 53 D HA 0.044 4.686 4.640 0.002 0.000 0.228 53 D C -0.014 176.315 176.300 0.048 0.000 1.183 53 D CA -0.462 53.559 54.000 0.035 0.000 0.827 53 D CB -0.774 40.033 40.800 0.012 0.000 0.989 53 D HN 0.203 nan 8.370 nan 0.000 0.494 54 Y N 1.720 121.998 120.300 -0.037 0.000 2.610 54 Y HA 0.135 4.686 4.550 0.002 0.000 0.332 54 Y C 0.142 176.017 175.900 -0.041 0.000 1.201 54 Y CA 0.233 58.308 58.100 -0.041 0.000 1.465 54 Y CB 0.707 39.133 38.460 -0.056 0.000 1.283 54 Y HN -0.175 nan 8.280 nan 0.000 0.563 55 S N 5.031 120.342 115.700 -0.649 0.000 2.736 55 S HA 0.557 5.029 4.470 0.002 0.000 0.285 55 S C 0.378 174.670 174.600 -0.515 0.000 1.163 55 S CA -0.229 57.733 58.200 -0.397 0.000 1.025 55 S CB 0.755 63.835 63.200 -0.200 0.000 1.030 55 S HN 1.059 nan 8.310 nan 0.000 0.486 56 A N 4.430 127.072 122.820 -0.296 0.000 2.032 56 A HA -0.015 4.306 4.320 0.002 0.000 0.221 56 A C 1.820 179.366 177.584 -0.064 0.000 1.165 56 A CA 2.144 54.095 52.037 -0.143 0.000 0.645 56 A CB -0.717 18.276 19.000 -0.011 0.000 0.807 56 A HN 0.840 nan 8.150 nan 0.000 0.453 57 V N 0.081 119.964 119.914 -0.053 0.000 2.323 57 V HA -0.212 3.909 4.120 0.002 0.000 0.244 57 V C 2.384 178.508 176.094 0.048 0.000 1.041 57 V CA 2.064 64.392 62.300 0.046 0.000 1.025 57 V CB -0.585 31.251 31.823 0.023 0.000 0.656 57 V HN 0.499 nan 8.190 nan 0.000 0.451 58 K N -0.054 120.307 120.400 -0.066 0.000 2.147 58 K HA -0.119 4.202 4.320 0.002 0.000 0.205 58 K C 2.101 178.632 176.600 -0.115 0.000 1.049 58 K CA 1.177 57.408 56.287 -0.093 0.000 0.936 58 K CB -0.438 31.986 32.500 -0.125 0.000 0.722 58 K HN 0.359 nan 8.250 nan 0.000 0.446 59 V N 1.531 121.359 119.914 -0.143 0.000 2.233 59 V HA -0.274 3.847 4.120 0.002 0.000 0.247 59 V C 2.099 178.171 176.094 -0.036 0.000 1.050 59 V CA 2.059 64.292 62.300 -0.111 0.000 1.010 59 V CB -0.623 31.126 31.823 -0.122 0.000 0.637 59 V HN 0.255 nan 8.190 nan 0.000 0.444 60 F N 1.484 121.380 119.950 -0.090 0.000 2.120 60 F HA -0.231 4.298 4.527 0.002 0.000 0.300 60 F C 2.308 178.067 175.800 -0.067 0.000 1.095 60 F CA 2.278 60.244 58.000 -0.056 0.000 1.249 60 F CB -0.479 38.506 39.000 -0.025 0.000 0.995 60 F HN 0.261 nan 8.300 nan 0.000 0.480 61 E N -0.248 119.687 120.200 -0.442 0.000 2.077 61 E HA -0.308 4.044 4.350 0.002 0.000 0.193 61 E C 2.121 178.513 176.600 -0.347 0.000 0.989 61 E CA 1.336 57.436 56.400 -0.499 0.000 0.800 61 E CB -0.364 29.194 29.700 -0.237 0.000 0.746 61 E HN 0.497 nan 8.360 nan 0.000 0.452 62 Q N 1.205 120.862 119.800 -0.238 0.000 2.135 62 Q HA -0.156 4.186 4.340 0.002 0.000 0.204 62 Q C 2.139 177.993 176.000 -0.244 0.000 0.981 62 Q CA 1.773 57.457 55.803 -0.198 0.000 0.856 62 Q CB -0.362 28.286 28.738 -0.150 0.000 0.902 62 Q HN 0.279 nan 8.270 nan 0.000 0.425 63 V N -0.263 119.477 119.914 -0.289 0.000 2.453 63 V HA 0.016 4.138 4.120 0.002 0.000 0.247 63 V C 2.039 177.951 176.094 -0.303 0.000 1.048 63 V CA 1.913 64.001 62.300 -0.353 0.000 1.049 63 V CB -1.090 30.468 31.823 -0.443 0.000 0.672 63 V HN 0.412 nan 8.190 nan 0.000 0.457 64 A N -0.286 122.322 122.820 -0.354 0.000 2.186 64 A HA -0.179 4.142 4.320 0.002 0.000 0.219 64 A C 2.335 179.788 177.584 -0.218 0.000 1.159 64 A CA 2.084 53.928 52.037 -0.321 0.000 0.680 64 A CB -0.519 18.145 19.000 -0.560 0.000 0.787 64 A HN 0.712 nan 8.150 nan 0.000 0.467 65 K N -1.019 119.257 120.400 -0.206 0.000 2.225 65 K HA -0.037 4.284 4.320 0.002 0.000 0.204 65 K C 0.927 177.464 176.600 -0.105 0.000 1.047 65 K CA 0.869 57.073 56.287 -0.138 0.000 0.970 65 K CB -0.010 32.412 32.500 -0.130 0.000 0.939 65 K HN 0.185 nan 8.250 nan 0.000 0.472 66 D N 0.864 121.185 120.400 -0.132 0.000 2.219 66 D HA -0.093 4.548 4.640 0.002 0.000 0.205 66 D C -0.037 176.217 176.300 -0.076 0.000 0.970 66 D CA 1.038 54.982 54.000 -0.093 0.000 0.851 66 D CB 0.082 40.778 40.800 -0.173 0.000 0.943 66 D HN 0.126 nan 8.370 nan 0.000 0.488 67 N N -1.416 117.209 118.700 -0.125 0.000 2.827 67 N HA 0.130 4.871 4.740 0.002 0.000 0.240 67 N C -2.496 172.996 175.510 -0.030 0.000 1.352 67 N CA -1.050 51.964 53.050 -0.060 0.000 0.760 67 N CB 1.297 39.737 38.487 -0.078 0.000 1.426 67 N HN -0.270 nan 8.380 nan 0.000 0.561 68 P HA -0.049 nan 4.420 nan 0.000 0.223 68 P C 0.690 177.999 177.300 0.015 0.000 1.151 68 P CA 0.975 64.062 63.100 -0.022 0.000 0.787 68 P CB 0.259 31.944 31.700 -0.026 0.000 0.788 69 R N -2.065 118.451 120.500 0.027 0.000 2.200 69 R HA 0.054 4.395 4.340 0.002 0.000 0.208 69 R C 2.068 178.379 176.300 0.018 0.000 1.033 69 R CA 0.517 56.627 56.100 0.018 0.000 1.000 69 R CB -1.484 28.820 30.300 0.008 0.000 0.906 69 R HN 0.131 nan 8.270 nan 0.000 0.462 70 F N 2.506 122.391 119.950 -0.109 0.000 2.102 70 F HA -0.088 4.441 4.527 0.002 0.000 0.298 70 F C 2.438 178.151 175.800 -0.146 0.000 1.105 70 F CA 1.584 59.485 58.000 -0.165 0.000 1.239 70 F CB -0.255 38.615 39.000 -0.216 0.000 0.991 70 F HN 0.091 nan 8.300 nan 0.000 0.474 71 A N 0.160 123.090 122.820 0.183 0.000 2.024 71 A HA -0.240 4.081 4.320 0.002 0.000 0.220 71 A C 2.078 179.674 177.584 0.021 0.000 1.164 71 A CA 1.993 54.130 52.037 0.167 0.000 0.643 71 A CB -0.857 18.288 19.000 0.242 0.000 0.806 71 A HN 0.709 nan 8.150 nan 0.000 0.451 72 E N -0.872 119.309 120.200 -0.032 0.000 2.473 72 E HA -0.020 4.331 4.350 0.002 0.000 0.204 72 E C 1.411 177.944 176.600 -0.112 0.000 0.994 72 E CA 0.960 57.330 56.400 -0.049 0.000 0.945 72 E CB -0.325 29.367 29.700 -0.013 0.000 0.990 72 E HN 0.598 nan 8.360 nan 0.000 0.493 73 T N -0.549 113.891 114.554 -0.190 0.000 3.440 73 T HA 0.059 4.410 4.350 0.002 0.000 0.209 73 T C 2.071 176.550 174.700 -0.369 0.000 0.906 73 T CA 0.774 62.737 62.100 -0.228 0.000 1.757 73 T CB -0.826 67.923 68.868 -0.198 0.000 1.568 73 T HN -0.056 nan 8.240 nan 0.000 0.454 74 V N 2.836 122.369 119.914 -0.635 0.000 2.282 74 V HA -0.122 3.999 4.120 0.002 0.000 0.249 74 V C 3.244 178.831 176.094 -0.845 0.000 1.057 74 V CA 2.070 63.865 62.300 -0.841 0.000 1.032 74 V CB -1.579 29.448 31.823 -1.327 0.000 0.645 74 V HN 0.795 nan 8.190 nan 0.000 0.447 75 A N 0.403 122.598 122.820 -1.042 0.000 2.178 75 A HA -0.149 4.172 4.320 0.002 0.000 0.218 75 A C 2.231 179.775 177.584 -0.067 0.000 1.157 75 A CA 1.871 53.639 52.037 -0.447 0.000 0.689 75 A CB -0.726 18.136 19.000 -0.229 0.000 0.787 75 A HN 0.682 nan 8.150 nan 0.000 0.465 76 T N -2.128 112.353 114.554 -0.122 0.000 3.107 76 T HA 0.268 4.619 4.350 0.002 0.000 0.249 76 T C 0.617 175.315 174.700 -0.004 0.000 1.096 76 T CA -0.034 62.048 62.100 -0.030 0.000 1.012 76 T CB -0.229 68.613 68.868 -0.043 0.000 0.977 76 T HN 0.699 nan 8.240 nan 0.000 0.527 77 R N 0.099 120.596 120.500 -0.005 0.000 2.867 77 R HA 0.727 5.068 4.340 0.002 0.000 0.268 77 R C -3.492 172.840 176.300 0.053 0.000 1.014 77 R CA -2.588 53.517 56.100 0.008 0.000 0.946 77 R CB 0.030 30.314 30.300 -0.027 0.000 1.208 77 R HN -0.102 nan 8.270 nan 0.000 0.477 78 P HA 0.107 nan 4.420 nan 0.000 0.276 78 P C -0.636 176.666 177.300 0.003 0.000 1.230 78 P CA -0.364 62.733 63.100 -0.006 0.000 0.776 78 P CB 0.971 32.672 31.700 0.001 0.000 0.888 79 A N 3.802 126.521 122.820 -0.168 0.000 2.561 79 A HA 0.049 4.370 4.320 0.002 0.000 0.251 79 A C 1.242 178.934 177.584 0.179 0.000 1.062 79 A CA 0.161 52.107 52.037 -0.152 0.000 0.761 79 A CB -1.026 17.335 19.000 -1.065 0.000 0.986 79 A HN 0.735 nan 8.150 nan 0.000 0.510 80 I N -1.334 119.351 120.570 0.193 0.000 3.854 80 I HA 0.336 4.508 4.170 0.002 0.000 0.312 80 I C 0.050 176.398 176.117 0.384 0.000 1.273 80 I CA 0.141 61.592 61.300 0.251 0.000 1.298 80 I CB 0.408 38.425 38.000 0.029 0.000 1.071 80 I HN 0.408 nan 8.210 nan 0.000 0.428 81 D N 0.982 121.552 120.400 0.283 0.000 2.890 81 D HA 0.322 4.963 4.640 0.002 0.000 0.233 81 D C 0.495 176.866 176.300 0.118 0.000 1.306 81 D CA -0.435 53.700 54.000 0.224 0.000 0.929 81 D CB 2.314 43.221 40.800 0.177 0.000 1.512 81 D HN 0.044 nan 8.370 nan 0.000 0.568 82 L N 2.112 123.336 121.223 0.003 0.000 2.093 82 L HA -0.061 4.280 4.340 0.002 0.000 0.208 82 L C 2.257 179.192 176.870 0.109 0.000 1.085 82 L CA 0.716 55.504 54.840 -0.087 0.000 0.755 82 L CB -0.071 41.850 42.059 -0.229 0.000 0.904 82 L HN 0.525 nan 8.230 nan 0.000 0.435 83 E N 0.958 121.218 120.200 0.099 0.000 2.171 83 E HA -0.317 4.034 4.350 0.002 0.000 0.197 83 E C 1.843 178.557 176.600 0.190 0.000 0.997 83 E CA 1.557 58.027 56.400 0.117 0.000 0.810 83 E CB 0.041 29.792 29.700 0.085 0.000 0.738 83 E HN 0.540 nan 8.360 nan 0.000 0.467 84 E N -1.271 119.069 120.200 0.234 0.000 2.268 84 E HA -0.147 4.204 4.350 0.002 0.000 0.195 84 E C 0.867 177.631 176.600 0.273 0.000 0.995 84 E CA 0.552 57.088 56.400 0.226 0.000 0.836 84 E CB -0.089 29.732 29.700 0.201 0.000 0.763 84 E HN 0.289 nan 8.360 nan 0.000 0.491 85 W N -0.020 121.375 121.300 0.158 0.000 3.316 85 W HA 0.315 4.976 4.660 0.002 0.000 0.327 85 W C 1.815 178.375 176.519 0.068 0.000 1.232 85 W CA 0.223 57.701 57.345 0.221 0.000 1.805 85 W CB -0.094 29.493 29.460 0.211 0.000 1.090 85 W HN 0.110 nan 8.180 nan 0.000 0.654 86 G N 0.532 109.476 108.800 0.239 0.000 2.649 86 G HA2 -0.394 3.567 3.960 0.002 0.000 0.220 86 G HA3 -0.394 3.567 3.960 0.002 0.000 0.220 86 G C 1.663 176.560 174.900 -0.005 0.000 1.189 86 G CA 1.766 46.983 45.100 0.195 0.000 0.777 86 G HN 0.187 nan 8.290 nan 0.000 0.602 87 V N 0.497 120.190 119.914 -0.370 0.000 2.370 87 V HA -0.264 3.857 4.120 0.002 0.000 0.252 87 V C 2.699 178.369 176.094 -0.707 0.000 1.068 87 V CA 3.054 64.658 62.300 -1.160 0.000 1.061 87 V CB -0.117 30.940 31.823 -1.276 0.000 0.656 87 V HN 0.666 nan 8.190 nan 0.000 0.455 88 Q N -1.091 118.412 119.800 -0.494 0.000 2.204 88 Q HA -0.027 4.314 4.340 0.002 0.000 0.198 88 Q C 2.169 178.145 176.000 -0.041 0.000 0.946 88 Q CA 1.305 56.944 55.803 -0.274 0.000 0.859 88 Q CB -0.085 28.589 28.738 -0.107 0.000 0.946 88 Q HN 0.700 nan 8.270 nan 0.000 0.474 89 I N 1.211 121.814 120.570 0.054 0.000 2.286 89 I HA -0.266 3.906 4.170 0.002 0.000 0.248 89 I C 2.466 178.620 176.117 0.061 0.000 1.115 89 I CA 1.031 62.386 61.300 0.091 0.000 1.392 89 I CB -0.413 37.658 38.000 0.120 0.000 1.065 89 I HN 0.262 nan 8.210 nan 0.000 0.418 90 A N 0.916 123.753 122.820 0.028 0.000 1.883 90 A HA -0.230 4.091 4.320 0.002 0.000 0.217 90 A C 2.572 180.155 177.584 -0.002 0.000 1.186 90 A CA 2.084 54.145 52.037 0.040 0.000 0.624 90 A CB -0.967 18.079 19.000 0.075 0.000 0.822 90 A HN 0.436 nan 8.150 nan 0.000 0.444 91 A N -0.843 121.930 122.820 -0.078 0.000 1.940 91 A HA -0.006 4.315 4.320 0.002 0.000 0.219 91 A C 2.230 179.819 177.584 0.009 0.000 1.176 91 A CA 1.873 53.866 52.037 -0.072 0.000 0.631 91 A CB -0.801 18.118 19.000 -0.136 0.000 0.814 91 A HN 0.406 nan 8.150 nan 0.000 0.446 92 V N 0.698 120.648 119.914 0.060 0.000 2.379 92 V HA -0.213 3.908 4.120 0.002 0.000 0.245 92 V C 2.158 178.357 176.094 0.176 0.000 1.044 92 V CA 1.917 64.317 62.300 0.166 0.000 1.036 92 V CB -0.826 31.091 31.823 0.156 0.000 0.664 92 V HN 0.606 nan 8.190 nan 0.000 0.453 93 N N 0.126 118.889 118.700 0.104 0.000 2.244 93 N HA -0.191 4.550 4.740 0.002 0.000 0.183 93 N C 2.027 177.578 175.510 0.068 0.000 1.016 93 N CA 1.138 54.234 53.050 0.078 0.000 0.866 93 N CB -0.153 38.370 38.487 0.060 0.000 0.980 93 N HN 0.456 nan 8.380 nan 0.000 0.430 94 R N 1.797 122.334 120.500 0.062 0.000 2.112 94 R HA -0.124 4.217 4.340 0.002 0.000 0.242 94 R C -0.983 175.349 176.300 0.052 0.000 1.137 94 R CA 1.730 57.857 56.100 0.046 0.000 0.944 94 R CB -1.007 29.307 30.300 0.023 0.000 0.857 94 R HN 0.147 nan 8.270 nan 0.000 0.435 95 P HA -0.031 nan 4.420 nan 0.000 0.234 95 P C 0.476 177.828 177.300 0.086 0.000 1.167 95 P CA 0.810 63.959 63.100 0.082 0.000 0.763 95 P CB 0.127 31.899 31.700 0.121 0.000 0.835 96 L N -2.173 119.091 121.223 0.069 0.000 2.513 96 L HA 0.029 4.370 4.340 0.002 0.000 0.222 96 L C 2.200 179.062 176.870 -0.013 0.000 1.096 96 L CA 0.652 55.508 54.840 0.027 0.000 0.857 96 L CB -0.894 41.171 42.059 0.010 0.000 1.026 96 L HN -0.201 nan 8.230 nan 0.000 0.469 97 V N -0.391 119.514 119.914 -0.014 0.000 2.237 97 V HA -0.284 3.837 4.120 0.002 0.000 0.245 97 V C 2.137 178.155 176.094 -0.126 0.000 1.046 97 V CA 1.908 64.162 62.300 -0.076 0.000 1.007 97 V CB -0.475 31.322 31.823 -0.043 0.000 0.638 97 V HN 0.356 nan 8.190 nan 0.000 0.445 98 D N 0.783 121.172 120.400 -0.019 0.000 2.106 98 D HA -0.165 4.476 4.640 0.002 0.000 0.191 98 D C 2.194 178.480 176.300 -0.022 0.000 0.997 98 D CA 1.923 55.938 54.000 0.026 0.000 0.834 98 D CB -0.804 40.052 40.800 0.094 0.000 0.956 98 D HN 0.465 nan 8.370 nan 0.000 0.448 99 G N -0.084 108.706 108.800 -0.016 0.000 2.418 99 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 99 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 99 G C 0.996 175.869 174.900 -0.045 0.000 1.158 99 G CA 1.169 46.257 45.100 -0.020 0.000 0.771 99 G HN 0.262 nan 8.290 nan 0.000 0.545 103 L N 1.338 122.557 121.223 -0.006 0.000 1.989 103 L HA -0.057 4.284 4.340 0.002 0.000 0.211 103 L C 2.275 179.177 176.870 0.055 0.000 1.071 103 L CA 2.752 57.597 54.840 0.009 0.000 0.749 103 L CB -0.739 41.303 42.059 -0.029 0.000 0.890 103 L HN 0.286 nan 8.230 nan 0.000 0.431 104 V N 0.143 120.076 119.914 0.032 0.000 2.380 104 V HA -0.333 3.788 4.120 0.002 0.000 0.251 104 V C 2.279 178.403 176.094 0.051 0.000 1.063 104 V CA 2.010 64.341 62.300 0.053 0.000 1.055 104 V CB -0.835 30.987 31.823 -0.003 0.000 0.657 104 V HN 0.487 nan 8.190 nan 0.000 0.455 105 D N -0.245 120.175 120.400 0.032 0.000 2.144 105 D HA -0.136 4.505 4.640 0.002 0.000 0.200 105 D C 1.877 178.204 176.300 0.044 0.000 0.978 105 D CA 1.330 55.348 54.000 0.030 0.000 0.833 105 D CB -0.240 40.576 40.800 0.026 0.000 0.961 105 D HN 0.435 nan 8.370 nan 0.000 0.470 106 D N -0.846 119.594 120.400 0.067 0.000 2.162 106 D HA -0.110 4.531 4.640 0.002 0.000 0.203 106 D C 1.727 178.106 176.300 0.132 0.000 0.967 106 D CA 0.564 54.614 54.000 0.083 0.000 0.840 106 D CB -0.164 40.683 40.800 0.079 0.000 0.972 106 D HN 0.234 nan 8.370 nan 0.000 0.482 107 Y N 1.009 121.307 120.300 -0.004 0.000 2.476 107 Y HA 0.144 4.697 4.550 0.004 0.000 0.283 107 Y C 0.017 175.913 175.900 -0.007 0.000 1.109 107 Y CA 0.350 58.449 58.100 -0.002 0.000 1.246 107 Y CB 0.247 38.704 38.460 -0.005 0.000 1.068 107 Y HN -0.276 nan 8.280 nan 0.000 0.552 108 R N 0.370 120.848 120.500 -0.038 0.000 3.188 108 R HA -0.169 4.172 4.340 0.002 0.000 0.247 108 R C -2.721 173.441 176.300 -0.231 0.000 0.918 108 R CA 0.397 56.428 56.100 -0.114 0.000 0.629 108 R CB -1.931 28.305 30.300 -0.106 0.000 1.087 108 R HN 0.302 nan 8.270 nan 0.000 0.462 109 P HA -0.034 nan 4.420 nan 0.000 0.269 109 P C -0.159 177.057 177.300 -0.140 0.000 1.215 109 P CA 0.039 63.035 63.100 -0.172 0.000 0.780 109 P CB 0.642 32.382 31.700 0.067 0.000 0.898 110 D N 0.294 120.602 120.400 -0.154 0.000 2.354 110 D HA 0.120 4.761 4.640 0.002 0.000 0.209 110 D C 0.403 176.636 176.300 -0.112 0.000 1.015 110 D CA 0.829 54.759 54.000 -0.116 0.000 0.867 110 D CB 0.370 41.105 40.800 -0.109 0.000 0.933 110 D HN 0.192 nan 8.370 nan 0.000 0.520 111 L N -0.075 121.063 121.223 -0.142 0.000 2.591 111 L HA 0.334 4.675 4.340 0.002 0.000 0.257 111 L C -1.940 174.801 176.870 -0.215 0.000 0.935 111 L CA -0.684 54.050 54.840 -0.177 0.000 0.873 111 L CB 2.278 44.200 42.059 -0.229 0.000 1.397 111 L HN -0.359 nan 8.230 nan 0.000 0.414 112 V N 4.501 124.295 119.914 -0.200 0.000 2.448 112 V HA 0.687 4.808 4.120 0.002 0.000 0.295 112 V C -0.626 175.317 176.094 -0.251 0.000 1.025 112 V CA -0.617 61.559 62.300 -0.208 0.000 0.859 112 V CB 1.868 33.621 31.823 -0.117 0.000 0.988 112 V HN 0.570 nan 8.190 nan 0.000 0.431 113 V N 6.244 125.877 119.914 -0.468 0.000 2.448 113 V HA 0.588 4.709 4.120 0.002 0.000 0.295 113 V C -0.830 175.118 176.094 -0.243 0.000 1.025 113 V CA -0.673 61.329 62.300 -0.497 0.000 0.859 113 V CB 1.319 32.524 31.823 -1.030 0.000 0.988 113 V HN 0.883 nan 8.190 nan 0.000 0.431 114 Y N 1.802 121.974 120.300 -0.214 0.000 2.512 114 Y HA 0.841 5.392 4.550 0.002 0.000 0.348 114 Y C -0.186 175.676 175.900 -0.064 0.000 0.990 114 Y CA -1.583 56.448 58.100 -0.116 0.000 1.033 114 Y CB 1.192 39.576 38.460 -0.127 0.000 1.259 114 Y HN 0.731 nan 8.280 nan 0.000 0.461 115 E N 1.057 121.241 120.200 -0.026 0.000 2.373 115 E HA 0.112 4.464 4.350 0.002 0.000 0.263 115 E C 0.810 177.375 176.600 -0.058 0.000 1.073 115 E CA -0.439 55.897 56.400 -0.106 0.000 0.894 115 E CB 1.210 30.869 29.700 -0.070 0.000 1.008 115 E HN 0.861 nan 8.360 nan 0.000 0.420 116 Q N 2.043 121.775 119.800 -0.114 0.000 2.118 116 Q HA -0.207 4.134 4.340 0.002 0.000 0.211 116 Q C 1.493 177.580 176.000 0.145 0.000 0.998 116 Q CA 2.138 57.954 55.803 0.023 0.000 0.872 116 Q CB -0.586 28.132 28.738 -0.034 0.000 0.925 116 Q HN 0.858 nan 8.270 nan 0.000 0.414 117 G N -1.065 107.711 108.800 -0.040 0.000 3.124 117 G HA2 0.296 4.257 3.960 0.002 0.000 0.212 117 G HA3 0.296 4.257 3.960 0.002 0.000 0.212 117 G C -0.027 174.959 174.900 0.144 0.000 1.181 117 G CA 0.303 45.422 45.100 0.032 0.000 0.803 117 G HN 0.358 nan 8.290 nan 0.000 0.529 118 A N 0.161 123.104 122.820 0.205 0.000 3.047 118 A HA 0.540 4.861 4.320 0.002 0.000 0.337 118 A C 1.421 179.030 177.584 0.041 0.000 1.143 118 A CA -0.157 51.970 52.037 0.151 0.000 0.905 118 A CB 0.051 19.144 19.000 0.154 0.000 1.088 118 A HN 0.059 nan 8.150 nan 0.000 0.488 119 T N 0.153 114.729 114.554 0.037 0.000 2.737 119 T HA -0.187 4.164 4.350 0.002 0.000 0.269 119 T C 1.964 176.519 174.700 -0.241 0.000 1.040 119 T CA 1.925 63.947 62.100 -0.130 0.000 1.142 119 T CB -0.248 68.661 68.868 0.069 0.000 0.861 119 T HN 0.506 nan 8.240 nan 0.000 0.456 120 V N 1.622 121.456 119.914 -0.133 0.000 2.453 120 V HA -0.191 3.930 4.120 0.002 0.000 0.252 120 V C 2.530 178.488 176.094 -0.227 0.000 1.068 120 V CA 2.373 64.587 62.300 -0.144 0.000 1.070 120 V CB -1.183 30.593 31.823 -0.078 0.000 0.664 120 V HN 0.602 nan 8.190 nan 0.000 0.461 121 G N -0.436 108.186 108.800 -0.296 0.000 2.476 121 G HA2 -0.277 3.684 3.960 0.002 0.000 0.218 121 G HA3 -0.277 3.684 3.960 0.002 0.000 0.218 121 G C 1.538 176.095 174.900 -0.571 0.000 1.164 121 G CA 1.314 46.179 45.100 -0.391 0.000 0.768 121 G HN 0.542 nan 8.290 nan 0.000 0.560 122 L N -0.104 120.629 121.223 -0.816 0.000 2.141 122 L HA 0.041 4.382 4.340 0.002 0.000 0.209 122 L C 2.846 179.514 176.870 -0.337 0.000 1.094 122 L CA 0.466 54.926 54.840 -0.634 0.000 0.763 122 L CB -0.235 41.416 42.059 -0.680 0.000 0.908 122 L HN 0.204 nan 8.230 nan 0.000 0.437 123 L N -0.991 120.069 121.223 -0.271 0.000 2.109 123 L HA -0.105 4.236 4.340 0.002 0.000 0.207 123 L C 2.874 179.650 176.870 -0.157 0.000 1.086 123 L CA 0.878 55.614 54.840 -0.174 0.000 0.760 123 L CB -0.844 41.133 42.059 -0.136 0.000 0.910 123 L HN 0.196 nan 8.230 nan 0.000 0.437 124 A N 0.631 123.347 122.820 -0.174 0.000 1.883 124 A HA -0.234 4.087 4.320 0.002 0.000 0.217 124 A C 2.554 180.065 177.584 -0.120 0.000 1.186 124 A CA 2.013 53.967 52.037 -0.138 0.000 0.624 124 A CB -0.777 18.146 19.000 -0.129 0.000 0.822 124 A HN 0.398 nan 8.150 nan 0.000 0.444 125 A N -0.558 122.171 122.820 -0.151 0.000 1.972 125 A HA -0.178 4.143 4.320 0.002 0.000 0.219 125 A C 1.813 179.336 177.584 -0.101 0.000 1.169 125 A CA 2.157 54.120 52.037 -0.125 0.000 0.635 125 A CB -0.633 18.280 19.000 -0.145 0.000 0.810 125 A HN 0.591 nan 8.150 nan 0.000 0.446 126 D N -1.102 119.234 120.400 -0.108 0.000 2.123 126 D HA -0.134 4.507 4.640 0.002 0.000 0.200 126 D C 2.122 178.388 176.300 -0.057 0.000 0.976 126 D CA 1.133 55.086 54.000 -0.078 0.000 0.831 126 D CB -0.023 40.731 40.800 -0.078 0.000 0.974 126 D HN 0.249 nan 8.370 nan 0.000 0.469 127 R N 0.587 121.050 120.500 -0.060 0.000 2.094 127 R HA -0.077 4.264 4.340 0.002 0.000 0.239 127 R C 1.933 178.212 176.300 -0.035 0.000 1.137 127 R CA 2.029 58.104 56.100 -0.041 0.000 0.943 127 R CB -0.978 29.289 30.300 -0.055 0.000 0.850 127 R HN 0.185 nan 8.270 nan 0.000 0.433 128 A N -1.094 121.700 122.820 -0.044 0.000 2.066 128 A HA 0.200 4.521 4.320 0.002 0.000 0.218 128 A C 1.384 178.944 177.584 -0.040 0.000 1.157 128 A CA 0.989 53.003 52.037 -0.039 0.000 0.670 128 A CB -0.695 18.279 19.000 -0.044 0.000 0.804 128 A HN 0.674 nan 8.150 nan 0.000 0.453 129 G N -0.857 107.917 108.800 -0.044 0.000 2.298 129 G HA2 0.018 3.979 3.960 0.002 0.000 0.287 129 G HA3 0.018 3.979 3.960 0.002 0.000 0.287 129 G C 0.099 174.974 174.900 -0.043 0.000 1.075 129 G CA 0.714 45.790 45.100 -0.040 0.000 0.960 129 G HN 1.862 nan 8.290 nan 0.000 0.502 130 V N -3.805 116.076 119.914 -0.054 0.000 3.130 130 V HA 0.952 5.073 4.120 0.002 0.000 0.310 130 V C -2.365 173.690 176.094 -0.065 0.000 1.158 130 V CA -2.913 59.353 62.300 -0.057 0.000 1.029 130 V CB 2.010 33.794 31.823 -0.065 0.000 1.057 130 V HN 0.073 nan 8.190 nan 0.000 0.436 131 P HA 0.481 nan 4.420 nan 0.000 0.268 131 P C -0.618 176.635 177.300 -0.078 0.000 1.205 131 P CA 0.411 63.472 63.100 -0.064 0.000 0.771 131 P CB 0.656 32.322 31.700 -0.056 0.000 0.858 132 A N 2.632 125.416 122.820 -0.061 0.000 2.337 132 A HA 0.650 4.971 4.320 0.002 0.000 0.329 132 A C -0.910 176.661 177.584 -0.022 0.000 1.146 132 A CA -0.573 51.457 52.037 -0.012 0.000 0.800 132 A CB 1.082 20.104 19.000 0.036 0.000 1.220 132 A HN 0.336 nan 8.150 nan 0.000 0.472 133 V N 2.149 122.020 119.914 -0.073 0.000 2.540 133 V HA 0.413 4.534 4.120 0.002 0.000 0.302 133 V C -0.027 175.818 176.094 -0.413 0.000 1.035 133 V CA -0.523 61.644 62.300 -0.223 0.000 0.873 133 V CB 1.460 33.142 31.823 -0.236 0.000 0.992 133 V HN 1.007 nan 8.190 nan 0.000 0.428 134 Q N 2.914 122.403 119.800 -0.519 0.000 2.222 134 Q HA 0.647 4.988 4.340 0.002 0.000 0.252 134 Q C -0.569 175.154 176.000 -0.461 0.000 0.926 134 Q CA -0.882 54.411 55.803 -0.849 0.000 0.899 134 Q CB 1.516 29.887 28.738 -0.613 0.000 1.250 134 Q HN 0.654 nan 8.270 nan 0.000 0.441 135 R N 2.794 123.047 120.500 -0.411 0.000 2.409 135 R HA 0.368 4.709 4.340 0.002 0.000 0.313 135 R C -1.549 174.684 176.300 -0.111 0.000 0.953 135 R CA -0.428 55.570 56.100 -0.169 0.000 0.849 135 R CB 0.650 30.907 30.300 -0.073 0.000 1.171 135 R HN 0.576 nan 8.270 nan 0.000 0.458 136 N N 2.415 121.084 118.700 -0.053 0.000 2.479 136 N HA 0.089 4.830 4.740 0.002 0.000 0.285 136 N C 0.258 175.781 175.510 0.022 0.000 1.075 136 N CA -0.288 52.746 53.050 -0.027 0.000 0.967 136 N CB 1.835 40.300 38.487 -0.036 0.000 1.137 136 N HN 0.763 nan 8.380 nan 0.000 0.472 137 Q N 0.064 119.874 119.800 0.017 0.000 2.391 137 Q HA 0.162 4.503 4.340 0.002 0.000 0.211 137 Q C 0.417 176.350 176.000 -0.113 0.000 0.908 137 Q CA 0.450 56.283 55.803 0.050 0.000 0.920 137 Q CB 0.460 29.262 28.738 0.108 0.000 1.056 137 Q HN 0.421 nan 8.270 nan 0.000 0.523 138 S N -1.106 114.421 115.700 -0.289 0.000 3.952 138 S HA 0.642 5.113 4.470 0.002 0.000 0.293 138 S C -0.135 173.805 174.600 -1.100 0.000 1.090 138 S CA 0.083 57.786 58.200 -0.829 0.000 1.264 138 S CB 0.622 63.551 63.200 -0.452 0.000 1.393 138 S HN 0.239 nan 8.310 nan 0.000 0.757 139 A N -0.458 121.738 122.820 -1.039 0.000 2.267 139 A HA 0.332 4.653 4.320 0.002 0.000 0.213 139 A C 0.045 177.443 177.584 -0.311 0.000 1.192 139 A CA -0.557 51.099 52.037 -0.635 0.000 0.851 139 A CB -0.728 18.024 19.000 -0.414 0.000 0.881 139 A HN 0.627 nan 8.150 nan 0.000 0.494 140 W N 2.128 123.338 121.300 -0.150 0.000 2.493 140 W HA 0.105 4.766 4.660 0.002 0.000 0.337 140 W C 0.464 176.952 176.519 -0.052 0.000 1.234 140 W CA -0.457 56.851 57.345 -0.062 0.000 1.286 140 W CB 0.448 29.882 29.460 -0.043 0.000 1.188 140 W HN 0.130 nan 8.180 nan 0.000 0.564 141 R N 2.381 123.026 120.500 0.242 0.000 2.404 141 R HA 0.207 4.548 4.340 0.002 0.000 0.291 141 R C 0.895 177.267 176.300 0.119 0.000 1.025 141 R CA -0.354 55.830 56.100 0.140 0.000 0.991 141 R CB 0.630 30.999 30.300 0.115 0.000 1.053 141 R HN 0.455 nan 8.270 nan 0.000 0.479 142 T N 2.090 116.681 114.554 0.063 0.000 2.770 142 T HA -0.039 4.312 4.350 0.002 0.000 0.258 142 T C 0.785 175.483 174.700 -0.003 0.000 1.039 142 T CA 0.675 62.777 62.100 0.003 0.000 1.143 142 T CB -0.032 68.848 68.868 0.019 0.000 0.866 142 T HN 0.571 nan 8.240 nan 0.000 0.428 143 R N 0.233 120.752 120.500 0.032 0.000 3.772 143 R HA -0.180 4.161 4.340 0.002 0.000 0.480 143 R C 0.961 177.274 176.300 0.021 0.000 0.241 143 R CA 1.293 57.414 56.100 0.036 0.000 1.508 143 R CB -1.657 28.674 30.300 0.050 0.000 0.956 143 R HN 0.555 nan 8.270 nan 0.000 0.583 147 R N 1.123 121.694 120.500 0.119 0.000 2.081 147 R HA -0.039 4.302 4.340 0.002 0.000 0.235 147 R C 2.032 178.347 176.300 0.024 0.000 1.131 147 R CA 1.874 58.006 56.100 0.053 0.000 0.960 147 R CB -0.017 30.302 30.300 0.031 0.000 0.856 147 R HN 0.035 nan 8.270 nan 0.000 0.436 148 S N 0.915 116.639 115.700 0.039 0.000 2.368 148 S HA -0.100 4.371 4.470 0.002 0.000 0.225 148 S C 1.977 176.648 174.600 0.117 0.000 1.030 148 S CA 1.102 59.328 58.200 0.042 0.000 0.999 148 S CB -0.160 63.099 63.200 0.099 0.000 0.844 148 S HN 0.198 nan 8.310 nan 0.000 0.459 149 I N 1.723 122.393 120.570 0.167 0.000 2.179 149 I HA -0.200 3.971 4.170 0.002 0.000 0.242 149 I C 2.658 178.883 176.117 0.180 0.000 1.088 149 I CA 1.144 62.584 61.300 0.233 0.000 1.357 149 I CB -0.449 37.663 38.000 0.187 0.000 1.051 149 I HN 0.258 nan 8.210 nan 0.000 0.409 150 A N 0.476 123.353 122.820 0.096 0.000 1.972 150 A HA -0.230 4.091 4.320 0.002 0.000 0.219 150 A C 2.451 180.032 177.584 -0.005 0.000 1.169 150 A CA 2.018 54.082 52.037 0.045 0.000 0.635 150 A CB -0.872 18.141 19.000 0.021 0.000 0.810 150 A HN 0.531 nan 8.150 nan 0.000 0.446 151 S N -1.413 114.234 115.700 -0.088 0.000 2.469 151 S HA -0.060 4.411 4.470 0.002 0.000 0.238 151 S C 1.159 175.554 174.600 -0.342 0.000 0.998 151 S CA 1.105 59.158 58.200 -0.244 0.000 0.957 151 S CB -0.622 62.362 63.200 -0.360 0.000 0.764 151 S HN 0.371 nan 8.310 nan 0.000 0.514 152 F N 0.717 120.661 119.950 -0.010 0.000 2.727 152 F HA 0.504 5.032 4.527 0.002 0.000 0.302 152 F C 0.941 176.731 175.800 -0.017 0.000 1.097 152 F CA -0.186 57.801 58.000 -0.021 0.000 1.330 152 F CB 0.221 39.201 39.000 -0.034 0.000 1.084 152 F HN 0.167 nan 8.300 nan 0.000 0.578 153 L N -0.999 120.299 121.223 0.125 0.000 3.202 153 L HA 0.183 4.524 4.340 0.002 0.000 0.278 153 L C 1.458 178.355 176.870 0.045 0.000 1.268 153 L CA 0.054 54.945 54.840 0.084 0.000 1.034 153 L CB -0.178 41.927 42.059 0.075 0.000 1.407 153 L HN -0.085 nan 8.230 nan 0.000 0.581 154 T N -0.038 114.529 114.554 0.023 0.000 2.737 154 T HA -0.160 4.191 4.350 0.002 0.000 0.265 154 T C 1.692 176.396 174.700 0.006 0.000 1.038 154 T CA 1.912 64.013 62.100 0.001 0.000 1.144 154 T CB -0.106 68.748 68.868 -0.023 0.000 0.866 154 T HN 0.583 nan 8.240 nan 0.000 0.434 155 D N 1.395 121.800 120.400 0.009 0.000 2.133 155 D HA -0.119 4.522 4.640 0.002 0.000 0.195 155 D C 1.185 177.488 176.300 0.006 0.000 0.997 155 D CA 0.834 54.835 54.000 0.002 0.000 0.840 155 D CB -0.754 40.048 40.800 0.004 0.000 0.947 155 D HN 0.335 nan 8.370 nan 0.000 0.452 159 K N 0.527 120.868 120.400 -0.099 0.000 2.074 159 K HA -0.140 4.181 4.320 0.002 0.000 0.209 159 K C 1.005 177.406 176.600 -0.332 0.000 1.048 159 K CA 1.356 57.498 56.287 -0.242 0.000 0.926 159 K CB -0.004 32.287 32.500 -0.349 0.000 0.713 159 K HN 0.261 nan 8.250 nan 0.000 0.444 160 H N 0.173 119.234 119.070 -0.015 0.000 2.549 160 H HA 0.111 4.668 4.556 0.001 0.000 0.279 160 H C -0.075 175.241 175.328 -0.019 0.000 1.018 160 H CA 0.079 56.117 56.048 -0.017 0.000 1.175 160 H CB 0.726 30.476 29.762 -0.019 0.000 1.485 160 H HN 0.230 nan 8.280 nan 0.000 0.543 161 Q N 0.628 120.457 119.800 0.048 0.000 2.439 161 Q HA -0.137 4.205 4.340 0.002 0.000 0.325 161 Q C -0.118 175.899 176.000 0.028 0.000 1.372 161 Q CA 0.627 56.444 55.803 0.024 0.000 0.909 161 Q CB -2.168 26.576 28.738 0.011 0.000 1.167 161 Q HN 0.413 nan 8.270 nan 0.000 0.418 162 V N -3.174 116.760 119.914 0.033 0.000 2.864 162 V HA 0.908 5.030 4.120 0.002 0.000 0.314 162 V C 0.320 176.410 176.094 -0.008 0.000 1.073 162 V CA -0.811 61.493 62.300 0.007 0.000 0.956 162 V CB 2.642 34.464 31.823 -0.002 0.000 1.023 162 V HN 0.189 nan 8.190 nan 0.000 0.435 163 S N 2.428 118.114 115.700 -0.024 0.000 2.726 163 S HA 0.796 5.267 4.470 0.002 0.000 0.308 163 S C -0.751 173.821 174.600 -0.046 0.000 1.115 163 S CA -0.626 57.557 58.200 -0.029 0.000 0.965 163 S CB 1.723 64.908 63.200 -0.025 0.000 1.145 163 S HN 0.924 nan 8.310 nan 0.000 0.532 164 L N 3.821 125.017 121.223 -0.044 0.000 2.262 164 L HA 0.529 4.870 4.340 0.002 0.000 0.288 164 L C -2.155 174.679 176.870 -0.060 0.000 1.035 164 L CA -1.345 53.458 54.840 -0.062 0.000 0.820 164 L CB 0.378 42.414 42.059 -0.039 0.000 1.204 164 L HN 0.439 nan 8.230 nan 0.000 0.424 165 P HA 0.388 nan 4.420 nan 0.000 0.301 165 P C -1.328 175.932 177.300 -0.068 0.000 1.309 165 P CA -0.627 62.431 63.100 -0.070 0.000 0.782 165 P CB 1.004 32.654 31.700 -0.082 0.000 1.282 166 E N 0.476 120.650 120.200 -0.042 0.000 2.191 166 E HA 0.351 4.702 4.350 0.002 0.000 0.274 166 E C -2.049 174.536 176.600 -0.025 0.000 0.948 166 E CA -1.859 54.530 56.400 -0.019 0.000 0.802 166 E CB 0.511 30.207 29.700 -0.006 0.000 1.137 166 E HN 0.399 nan 8.360 nan 0.000 0.397 167 P HA -0.014 nan 4.420 nan 0.000 0.272 167 P C 1.028 178.284 177.300 -0.073 0.000 1.223 167 P CA -0.140 62.959 63.100 -0.002 0.000 0.784 167 P CB 0.776 32.495 31.700 0.033 0.000 0.923 168 V N -1.389 118.456 119.914 -0.114 0.000 3.306 168 V HA 0.404 4.525 4.120 0.002 0.000 0.264 168 V C 0.643 176.568 176.094 -0.281 0.000 1.149 168 V CA 1.073 63.287 62.300 -0.143 0.000 1.143 168 V CB -1.046 30.713 31.823 -0.108 0.000 0.767 168 V HN 0.766 nan 8.190 nan 0.000 0.476 169 A N -0.956 121.624 122.820 -0.400 0.000 2.605 169 A HA 0.715 5.036 4.320 0.002 0.000 0.294 169 A C -0.517 176.750 177.584 -0.530 0.000 1.062 169 A CA -0.165 51.449 52.037 -0.706 0.000 0.682 169 A CB 1.285 19.388 19.000 -1.494 0.000 1.278 169 A HN 0.189 nan 8.150 nan 0.000 0.410 170 T N 2.573 116.826 114.554 -0.502 0.000 2.840 170 T HA 0.507 4.858 4.350 0.002 0.000 0.287 170 T C -0.501 174.041 174.700 -0.263 0.000 0.991 170 T CA -0.313 61.597 62.100 -0.317 0.000 0.964 170 T CB 0.659 69.407 68.868 -0.199 0.000 0.954 170 T HN 0.470 nan 8.240 nan 0.000 0.438 171 I N 3.329 123.795 120.570 -0.173 0.000 2.301 171 I HA 0.279 4.450 4.170 0.002 0.000 0.292 171 I C 0.749 176.860 176.117 -0.010 0.000 1.046 171 I CA -0.807 60.474 61.300 -0.032 0.000 1.282 171 I CB 0.257 38.291 38.000 0.057 0.000 1.409 171 I HN 0.528 nan 8.210 nan 0.000 0.484 172 E N 3.771 123.952 120.200 -0.031 0.000 2.383 172 E HA 0.162 4.513 4.350 0.002 0.000 0.264 172 E C 0.575 177.299 176.600 0.207 0.000 1.050 172 E CA -0.006 56.423 56.400 0.048 0.000 0.896 172 E CB 1.338 31.051 29.700 0.022 0.000 0.982 172 E HN 0.457 nan 8.360 nan 0.000 0.424 173 S N 1.165 116.996 115.700 0.218 0.000 2.441 173 S HA 0.084 4.555 4.470 0.002 0.000 0.224 173 S C 0.276 175.139 174.600 0.438 0.000 1.043 173 S CA 0.107 58.508 58.200 0.334 0.000 0.948 173 S CB 0.116 63.440 63.200 0.205 0.000 0.810 173 S HN 0.289 nan 8.310 nan 0.000 0.504 174 F N 2.959 122.961 119.950 0.087 0.000 2.375 174 F HA 0.438 4.966 4.527 0.002 0.000 0.333 174 F C -2.016 173.893 175.800 0.182 0.000 1.104 174 F CA -3.264 54.775 58.000 0.064 0.000 1.149 174 F CB 0.139 39.154 39.000 0.025 0.000 1.190 174 F HN 0.007 nan 8.300 nan 0.000 0.533 175 P HA 0.241 nan 4.420 nan 0.000 0.278 175 P C -2.449 174.812 177.300 -0.065 0.000 1.258 175 P CA -1.572 61.564 63.100 0.060 0.000 0.811 175 P CB 0.881 32.564 31.700 -0.029 0.000 1.063 176 P HA -0.221 nan 4.420 nan 0.000 0.216 176 P C 1.700 178.929 177.300 -0.119 0.000 1.157 176 P CA 2.363 65.226 63.100 -0.396 0.000 0.880 176 P CB -0.445 30.911 31.700 -0.572 0.000 0.791 177 S N -1.668 113.966 115.700 -0.111 0.000 2.547 177 S HA -0.029 4.442 4.470 0.002 0.000 0.235 177 S C 1.674 176.254 174.600 -0.034 0.000 0.980 177 S CA 0.641 58.803 58.200 -0.062 0.000 0.941 177 S CB -1.247 61.912 63.200 -0.069 0.000 0.763 177 S HN 0.090 nan 8.310 nan 0.000 0.532 178 L N 0.222 121.437 121.223 -0.014 0.000 2.558 178 L HA 0.400 4.741 4.340 0.002 0.000 0.225 178 L C 0.238 177.183 176.870 0.125 0.000 1.128 178 L CA 0.241 55.093 54.840 0.021 0.000 0.868 178 L CB -0.023 42.004 42.059 -0.053 0.000 1.006 178 L HN 0.319 nan 8.230 nan 0.000 0.454 179 L N -0.548 120.747 121.223 0.120 0.000 2.334 179 L HA 0.197 4.538 4.340 0.002 0.000 0.276 179 L C 0.422 177.344 176.870 0.087 0.000 1.014 179 L CA -0.484 54.437 54.840 0.135 0.000 0.815 179 L CB 2.377 44.563 42.059 0.211 0.000 1.268 179 L HN -0.091 nan 8.230 nan 0.000 0.428 180 L N 1.119 122.385 121.223 0.073 0.000 2.425 180 L HA 0.301 4.642 4.340 0.002 0.000 0.215 180 L C 0.525 177.438 176.870 0.071 0.000 1.065 180 L CA 1.093 55.967 54.840 0.058 0.000 0.842 180 L CB 0.189 42.273 42.059 0.042 0.000 1.033 180 L HN 0.569 nan 8.230 nan 0.000 0.474 181 E N -0.379 119.871 120.200 0.084 0.000 2.222 181 E HA 0.599 4.951 4.350 0.002 0.000 0.267 181 E C -1.021 175.644 176.600 0.109 0.000 0.884 181 E CA -0.657 55.795 56.400 0.086 0.000 0.764 181 E CB 1.921 31.666 29.700 0.074 0.000 1.169 181 E HN 0.140 nan 8.360 nan 0.000 0.413 182 A N 4.038 126.927 122.820 0.114 0.000 2.340 182 A HA 0.255 4.576 4.320 0.002 0.000 0.268 182 A C 0.057 177.688 177.584 0.078 0.000 1.100 182 A CA -0.488 51.624 52.037 0.126 0.000 0.803 182 A CB 0.574 19.660 19.000 0.142 0.000 1.043 182 A HN 0.653 nan 8.150 nan 0.000 0.488 183 E N 1.857 122.086 120.200 0.047 0.000 2.390 183 E HA 0.224 4.575 4.350 0.002 0.000 0.261 183 E C -2.138 174.472 176.600 0.017 0.000 1.076 183 E CA -1.303 55.106 56.400 0.015 0.000 0.905 183 E CB 0.129 29.809 29.700 -0.034 0.000 0.984 183 E HN 0.458 nan 8.360 nan 0.000 0.427 184 P HA 0.018 nan 4.420 nan 0.000 0.271 184 P C -0.455 176.833 177.300 -0.019 0.000 1.220 184 P CA 0.124 63.233 63.100 0.015 0.000 0.768 184 P CB 0.504 32.215 31.700 0.018 0.000 0.848 185 E N 0.259 120.464 120.200 0.008 0.000 2.228 185 E HA -0.170 4.181 4.350 0.002 0.000 0.213 185 E C 0.580 177.124 176.600 -0.094 0.000 1.282 185 E CA 1.104 57.501 56.400 -0.006 0.000 0.707 185 E CB -1.802 27.844 29.700 -0.089 0.000 1.150 185 E HN 0.756 nan 8.360 nan 0.000 0.362 186 G N 0.180 108.968 108.800 -0.021 0.000 2.355 186 G HA2 0.280 4.241 3.960 0.002 0.000 0.276 186 G HA3 0.280 4.241 3.960 0.002 0.000 0.276 186 G C -0.544 174.321 174.900 -0.058 0.000 1.198 186 G CA -0.419 44.596 45.100 -0.142 0.000 0.876 186 G HN 0.101 nan 8.290 nan 0.000 0.478 187 W N 1.664 122.703 121.300 -0.434 0.000 2.666 187 W HA 0.685 5.346 4.660 0.001 0.000 0.334 187 W C -0.636 175.583 176.519 -0.500 0.000 1.051 187 W CA -1.483 55.662 57.345 -0.334 0.000 1.224 187 W CB 1.261 30.650 29.460 -0.119 0.000 1.405 187 W HN 0.345 nan 8.180 nan 0.000 0.513 191 W N 6.448 127.795 121.300 0.078 0.000 2.335 191 W HA 0.445 5.106 4.660 0.002 0.000 0.306 191 W C -1.410 175.138 176.519 0.048 0.000 1.216 191 W CA -0.352 57.040 57.345 0.078 0.000 1.237 191 W CB 1.161 30.672 29.460 0.086 0.000 1.243 191 W HN 0.212 nan 8.180 nan 0.000 0.493 192 V N 9.516 129.125 119.914 -0.508 0.000 2.304 192 V HA 0.155 4.276 4.120 0.002 0.000 0.278 192 V C -1.731 173.945 176.094 -0.698 0.000 1.018 192 V CA -1.862 60.181 62.300 -0.430 0.000 0.814 192 V CB 0.998 32.687 31.823 -0.223 0.000 1.021 192 V HN 0.412 nan 8.190 nan 0.000 0.440 193 P HA -0.043 nan 4.420 nan 0.000 0.261 193 P C -1.117 176.076 177.300 -0.178 0.000 1.173 193 P CA 0.472 63.404 63.100 -0.280 0.000 0.760 193 P CB 0.156 31.893 31.700 0.062 0.000 0.783 194 Y N 1.918 122.064 120.300 -0.258 0.000 2.346 194 Y HA 0.555 5.106 4.550 0.002 0.000 0.332 194 Y C 0.659 176.362 175.900 -0.328 0.000 0.985 194 Y CA -0.351 57.577 58.100 -0.285 0.000 1.112 194 Y CB 1.712 39.862 38.460 -0.517 0.000 1.170 194 Y HN 0.462 nan 8.280 nan 0.000 0.447 195 G N 2.359 110.589 108.800 -0.950 0.000 3.342 195 G HA2 0.478 4.439 3.960 0.002 0.000 0.252 195 G HA3 0.478 4.439 3.960 0.002 0.000 0.252 195 G C 0.209 174.649 174.900 -0.767 0.000 1.011 195 G CA 0.027 44.730 45.100 -0.662 0.000 0.869 195 G HN 1.457 nan 8.290 nan 0.000 0.514 196 G N -1.141 106.735 108.800 -1.539 0.000 2.650 196 G HA2 0.456 4.417 3.960 0.002 0.000 0.686 196 G HA3 0.456 4.417 3.960 0.002 0.000 0.686 196 G C 0.296 175.135 174.900 -0.102 0.000 1.205 196 G CA -0.310 44.440 45.100 -0.583 0.000 0.781 196 G HN 1.023 nan 8.290 nan 0.000 0.648 197 G N -0.562 108.315 108.800 0.127 0.000 2.606 197 G HA2 0.846 4.807 3.960 0.002 0.000 0.252 197 G HA3 0.846 4.807 3.960 0.002 0.000 0.252 197 G C 0.365 175.410 174.900 0.242 0.000 1.206 197 G CA 0.663 45.873 45.100 0.182 0.000 0.861 197 G HN 2.247 nan 8.290 nan 0.000 0.561 198 A N -0.300 122.618 122.820 0.164 0.000 2.547 198 A HA 0.558 4.879 4.320 0.002 0.000 0.297 198 A C -0.845 176.794 177.584 0.092 0.000 1.056 198 A CA -0.496 51.647 52.037 0.176 0.000 0.688 198 A CB 1.791 20.804 19.000 0.021 0.000 1.282 198 A HN 1.055 nan 8.150 nan 0.000 0.400 199 V N 4.187 124.162 119.914 0.103 0.000 2.356 199 V HA 0.114 4.235 4.120 0.002 0.000 0.258 199 V C 1.192 177.308 176.094 0.036 0.000 1.065 199 V CA 0.087 62.422 62.300 0.059 0.000 0.935 199 V CB 0.214 32.072 31.823 0.059 0.000 1.061 199 V HN 0.841 nan 8.190 nan 0.000 0.484 200 L N 4.125 125.349 121.223 0.002 0.000 2.291 200 L HA 0.290 4.631 4.340 0.002 0.000 0.214 200 L C 1.342 178.204 176.870 -0.013 0.000 1.120 200 L CA 1.125 55.949 54.840 -0.028 0.000 0.799 200 L CB -0.490 41.539 42.059 -0.049 0.000 0.925 200 L HN 0.911 nan 8.230 nan 0.000 0.446 201 G N 0.369 109.170 108.800 0.002 0.000 2.280 201 G HA2 -0.194 3.768 3.960 0.002 0.000 0.277 201 G HA3 -0.194 3.768 3.960 0.002 0.000 0.277 201 G C -0.470 174.432 174.900 0.002 0.000 1.288 201 G CA 0.011 45.114 45.100 0.004 0.000 1.075 201 G HN 0.151 nan 8.290 nan 0.000 0.480 202 D N 0.319 120.719 120.400 0.001 0.000 2.349 202 D HA 0.120 4.762 4.640 0.002 0.000 0.224 202 D C 0.996 177.295 176.300 -0.003 0.000 1.029 202 D CA 1.099 55.099 54.000 0.000 0.000 0.879 202 D CB 0.129 40.930 40.800 0.002 0.000 0.906 202 D HN 0.993 nan 8.370 nan 0.000 0.528 203 R N -1.526 118.970 120.500 -0.006 0.000 2.826 203 R HA 0.419 4.760 4.340 0.002 0.000 0.269 203 R C -1.136 175.154 176.300 -0.016 0.000 1.031 203 R CA -0.972 55.122 56.100 -0.010 0.000 0.900 203 R CB 0.385 30.680 30.300 -0.009 0.000 1.318 203 R HN -0.094 nan 8.270 nan 0.000 0.447 204 L N 1.550 122.763 121.223 -0.017 0.000 2.417 204 L HA 0.349 4.690 4.340 0.002 0.000 0.268 204 L C -1.874 174.978 176.870 -0.028 0.000 1.158 204 L CA -1.996 52.829 54.840 -0.025 0.000 0.819 204 L CB 0.787 42.834 42.059 -0.021 0.000 1.112 204 L HN 0.460 nan 8.230 nan 0.000 0.458 205 P HA 0.011 nan 4.420 nan 0.000 0.261 205 P C -2.288 174.993 177.300 -0.031 0.000 1.183 205 P CA -0.626 62.449 63.100 -0.041 0.000 0.761 205 P CB -0.334 31.329 31.700 -0.062 0.000 0.785 206 P HA -0.026 nan 4.420 nan 0.000 0.267 206 P C -0.307 176.981 177.300 -0.021 0.000 1.200 206 P CA 0.067 63.156 63.100 -0.019 0.000 0.772 206 P CB 0.434 32.126 31.700 -0.014 0.000 0.855 207 V N 5.685 125.588 119.914 -0.018 0.000 2.493 207 V HA 0.033 4.154 4.120 0.002 0.000 0.292 207 V C -1.164 174.920 176.094 -0.017 0.000 1.016 207 V CA -0.584 61.705 62.300 -0.018 0.000 1.097 207 V CB -0.392 31.422 31.823 -0.016 0.000 0.947 207 V HN 0.677 nan 8.190 nan 0.000 0.479 208 P HA 0.278 nan 4.420 nan 0.000 0.274 208 P C 0.616 177.906 177.300 -0.016 0.000 1.246 208 P CA -0.270 62.820 63.100 -0.016 0.000 0.795 208 P CB 1.041 32.730 31.700 -0.018 0.000 1.006 209 A N 2.378 125.190 122.820 -0.013 0.000 1.873 209 A HA -0.152 4.169 4.320 0.002 0.000 0.218 209 A C 1.213 178.786 177.584 -0.018 0.000 1.193 209 A CA 1.390 53.419 52.037 -0.013 0.000 0.629 209 A CB -0.571 18.424 19.000 -0.009 0.000 0.826 209 A HN 0.593 nan 8.150 nan 0.000 0.447 210 R N -0.713 119.773 120.500 -0.023 0.000 2.732 210 R HA 0.486 4.827 4.340 0.002 0.000 0.278 210 R C -2.921 173.352 176.300 -0.045 0.000 0.976 210 R CA -2.193 53.887 56.100 -0.033 0.000 0.963 210 R CB 1.119 31.398 30.300 -0.036 0.000 1.150 210 R HN 0.141 nan 8.270 nan 0.000 0.478 211 P HA 0.106 nan 4.420 nan 0.000 0.275 211 P C -1.174 176.066 177.300 -0.100 0.000 1.227 211 P CA -0.170 62.891 63.100 -0.065 0.000 0.781 211 P CB 0.782 32.446 31.700 -0.060 0.000 0.906 212 E N 0.273 120.412 120.200 -0.102 0.000 2.312 212 E HA 0.466 4.817 4.350 0.002 0.000 0.267 212 E C -1.065 175.445 176.600 -0.150 0.000 0.894 212 E CA -1.140 55.175 56.400 -0.141 0.000 0.773 212 E CB 2.031 31.688 29.700 -0.072 0.000 1.241 212 E HN 0.045 nan 8.360 nan 0.000 0.432 213 V N 1.734 121.501 119.914 -0.245 0.000 2.370 213 V HA 0.410 4.531 4.120 0.002 0.000 0.279 213 V C -0.132 175.996 176.094 0.057 0.000 1.029 213 V CA -0.597 61.622 62.300 -0.135 0.000 0.870 213 V CB 1.153 32.799 31.823 -0.295 0.000 0.984 213 V HN 0.765 nan 8.190 nan 0.000 0.451 214 A N 6.877 129.744 122.820 0.079 0.000 2.354 214 A HA 0.661 4.983 4.320 0.002 0.000 0.281 214 A C -0.205 177.475 177.584 0.160 0.000 1.174 214 A CA -0.239 51.862 52.037 0.106 0.000 0.828 214 A CB -0.154 18.885 19.000 0.064 0.000 1.099 214 A HN 0.799 nan 8.150 nan 0.000 0.516 215 I N 3.292 123.965 120.570 0.172 0.000 2.307 215 I HA 0.267 4.438 4.170 0.002 0.000 0.287 215 I C 0.631 176.816 176.117 0.112 0.000 1.054 215 I CA 0.027 61.416 61.300 0.149 0.000 1.218 215 I CB 1.142 39.213 38.000 0.118 0.000 1.398 215 I HN 0.670 nan 8.210 nan 0.000 0.475 219 T N 1.535 116.091 114.554 0.003 0.000 2.684 219 T HA -0.113 4.238 4.350 0.002 0.000 0.267 219 T C 2.430 177.092 174.700 -0.062 0.000 1.036 219 T CA 1.558 63.630 62.100 -0.047 0.000 1.148 219 T CB -0.123 68.677 68.868 -0.115 0.000 0.863 219 T HN 0.383 nan 8.240 nan 0.000 0.436 220 I N 1.632 122.153 120.570 -0.082 0.000 2.353 220 I HA -0.052 4.119 4.170 0.002 0.000 0.248 220 I C 2.387 178.467 176.117 -0.063 0.000 1.119 220 I CA 1.090 62.337 61.300 -0.088 0.000 1.417 220 I CB -1.344 36.580 38.000 -0.127 0.000 1.078 220 I HN 0.415 nan 8.210 nan 0.000 0.421 221 E N 0.983 121.181 120.200 -0.004 0.000 2.130 221 E HA -0.223 4.128 4.350 0.002 0.000 0.196 221 E C 2.364 179.006 176.600 0.070 0.000 0.998 221 E CA 1.079 57.529 56.400 0.083 0.000 0.806 221 E CB -0.228 29.586 29.700 0.189 0.000 0.738 221 E HN 0.423 nan 8.360 nan 0.000 0.459 222 L N 0.879 122.116 121.223 0.023 0.000 2.109 222 L HA -0.192 4.149 4.340 0.002 0.000 0.207 222 L C 2.510 179.375 176.870 -0.008 0.000 1.086 222 L CA 0.772 55.627 54.840 0.025 0.000 0.760 222 L CB -0.141 41.919 42.059 0.002 0.000 0.910 222 L HN 0.067 nan 8.230 nan 0.000 0.437 223 Q N -0.341 119.427 119.800 -0.052 0.000 2.170 223 Q HA -0.141 4.200 4.340 0.002 0.000 0.203 223 Q C 2.351 178.280 176.000 -0.118 0.000 0.976 223 Q CA 1.665 57.427 55.803 -0.068 0.000 0.858 223 Q CB -0.508 28.191 28.738 -0.064 0.000 0.907 223 Q HN 0.546 nan 8.270 nan 0.000 0.433 224 A N -0.281 122.395 122.820 -0.240 0.000 1.854 224 A HA -0.043 4.278 4.320 0.002 0.000 0.214 224 A C 1.803 179.160 177.584 -0.378 0.000 1.192 224 A CA 0.984 52.752 52.037 -0.448 0.000 0.611 224 A CB -0.651 17.826 19.000 -0.872 0.000 0.832 224 A HN 0.319 nan 8.150 nan 0.000 0.442 225 F N -0.709 119.279 119.950 0.063 0.000 2.619 225 F HA 0.402 4.930 4.527 0.002 0.000 0.293 225 F C 1.491 177.328 175.800 0.062 0.000 1.119 225 F CA 0.598 58.647 58.000 0.082 0.000 1.445 225 F CB 0.033 39.121 39.000 0.146 0.000 1.119 225 F HN 0.502 nan 8.300 nan 0.000 0.573 226 G N 0.949 109.852 108.800 0.171 0.000 2.699 226 G HA2 -0.248 3.713 3.960 0.002 0.000 0.686 226 G HA3 -0.248 3.713 3.960 0.002 0.000 0.686 226 G C 0.002 174.968 174.900 0.109 0.000 1.301 226 G CA -0.336 44.829 45.100 0.107 0.000 0.816 226 G HN 0.227 nan 8.290 nan 0.000 0.595 227 I N 1.121 121.731 120.570 0.067 0.000 3.419 227 I HA 0.202 4.373 4.170 0.002 0.000 0.286 227 I C 2.395 178.545 176.117 0.055 0.000 1.268 227 I CA 1.500 62.832 61.300 0.053 0.000 1.414 227 I CB -0.165 37.855 38.000 0.033 0.000 1.074 227 I HN 0.766 nan 8.210 nan 0.000 0.457 228 G N 0.253 109.088 108.800 0.059 0.000 2.443 228 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 228 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 228 G C 1.628 176.564 174.900 0.059 0.000 1.131 228 G CA 0.511 45.641 45.100 0.050 0.000 0.775 228 G HN 0.476 nan 8.290 nan 0.000 0.547 229 A N -0.233 122.642 122.820 0.092 0.000 2.259 229 A HA 0.295 4.617 4.320 0.002 0.000 0.212 229 A C 1.906 179.552 177.584 0.103 0.000 1.178 229 A CA 1.216 53.316 52.037 0.105 0.000 0.734 229 A CB -0.063 19.044 19.000 0.178 0.000 0.774 229 A HN 0.292 nan 8.150 nan 0.000 0.481 230 V N -1.565 118.396 119.914 0.079 0.000 3.548 230 V HA -0.015 4.106 4.120 0.002 0.000 0.279 230 V C 1.747 177.855 176.094 0.023 0.000 1.446 230 V CA 0.589 62.929 62.300 0.067 0.000 1.023 230 V CB 0.040 31.902 31.823 0.064 0.000 0.820 230 V HN 0.600 nan 8.190 nan 0.000 0.438 231 E N 1.696 121.907 120.200 0.018 0.000 2.048 231 E HA -0.228 4.123 4.350 0.002 0.000 0.202 231 E C -0.531 176.058 176.600 -0.017 0.000 1.021 231 E CA 2.098 58.498 56.400 -0.001 0.000 0.825 231 E CB -1.094 28.608 29.700 0.004 0.000 0.756 231 E HN 0.525 nan 8.360 nan 0.000 0.454 232 P HA -0.190 nan 4.420 nan 0.000 0.215 232 P C 1.583 178.855 177.300 -0.047 0.000 1.157 232 P CA 1.470 64.554 63.100 -0.027 0.000 0.874 232 P CB -0.181 31.506 31.700 -0.021 0.000 0.790 233 I N -0.657 119.888 120.570 -0.043 0.000 2.151 233 I HA -0.256 3.915 4.170 0.002 0.000 0.243 233 I C 2.707 178.742 176.117 -0.138 0.000 1.080 233 I CA 1.586 62.843 61.300 -0.071 0.000 1.339 233 I CB -0.704 37.276 38.000 -0.033 0.000 1.039 233 I HN -0.153 nan 8.210 nan 0.000 0.409 234 I N 0.734 121.235 120.570 -0.115 0.000 2.226 234 I HA -0.277 3.894 4.170 0.002 0.000 0.245 234 I C 2.851 178.879 176.117 -0.148 0.000 1.100 234 I CA 1.278 62.487 61.300 -0.151 0.000 1.374 234 I CB -0.486 37.464 38.000 -0.082 0.000 1.057 234 I HN 0.194 nan 8.210 nan 0.000 0.413 235 A N 0.916 123.680 122.820 -0.094 0.000 1.892 235 A HA -0.257 4.064 4.320 0.002 0.000 0.218 235 A C 2.560 180.090 177.584 -0.091 0.000 1.188 235 A CA 2.206 54.199 52.037 -0.073 0.000 0.631 235 A CB -1.021 17.951 19.000 -0.047 0.000 0.822 235 A HN 0.442 nan 8.150 nan 0.000 0.447 236 A N -0.082 122.676 122.820 -0.104 0.000 1.859 236 A HA 0.051 4.372 4.320 0.002 0.000 0.217 236 A C 2.574 180.061 177.584 -0.162 0.000 1.198 236 A CA 2.782 54.756 52.037 -0.105 0.000 0.629 236 A CB -1.381 17.561 19.000 -0.096 0.000 0.830 236 A HN 1.355 nan 8.150 nan 0.000 0.446 237 A N -0.700 121.918 122.820 -0.337 0.000 1.997 237 A HA -0.026 4.295 4.320 0.002 0.000 0.221 237 A C 2.360 179.776 177.584 -0.281 0.000 1.172 237 A CA 2.181 53.818 52.037 -0.666 0.000 0.645 237 A CB -1.495 16.720 19.000 -1.308 0.000 0.813 237 A HN 0.981 nan 8.150 nan 0.000 0.454 238 G N -0.946 107.755 108.800 -0.164 0.000 2.470 238 G HA2 -0.130 3.831 3.960 0.002 0.000 0.220 238 G HA3 -0.130 3.831 3.960 0.002 0.000 0.220 238 G C 1.175 176.073 174.900 -0.003 0.000 1.121 238 G CA 0.963 46.030 45.100 -0.055 0.000 0.766 238 G HN 0.694 nan 8.290 nan 0.000 0.553 239 E N -0.821 119.374 120.200 -0.008 0.000 2.501 239 E HA 0.238 4.589 4.350 0.002 0.000 0.200 239 E C -0.540 176.091 176.600 0.051 0.000 1.016 239 E CA -0.320 56.090 56.400 0.017 0.000 0.921 239 E CB 1.355 31.055 29.700 0.001 0.000 1.034 239 E HN 0.146 nan 8.360 nan 0.000 0.468 240 V N 2.038 122.013 119.914 0.101 0.000 2.370 240 V HA 0.054 4.175 4.120 0.002 0.000 0.283 240 V C -0.059 176.135 176.094 0.167 0.000 1.023 240 V CA -0.848 61.549 62.300 0.161 0.000 0.857 240 V CB 1.429 33.427 31.823 0.291 0.000 0.985 240 V HN 0.065 nan 8.190 nan 0.000 0.443 241 D N 4.478 124.935 120.400 0.095 0.000 2.662 241 D HA 0.386 5.027 4.640 0.002 0.000 0.228 241 D C 0.166 176.488 176.300 0.037 0.000 1.090 241 D CA 0.703 54.740 54.000 0.062 0.000 1.118 241 D CB -0.140 40.681 40.800 0.034 0.000 1.129 241 D HN 0.787 nan 8.370 nan 0.000 0.472 242 A N 1.878 124.728 122.820 0.049 0.000 2.557 242 A HA 0.528 4.849 4.320 0.002 0.000 0.292 242 A C -1.173 176.331 177.584 -0.134 0.000 1.139 242 A CA -0.913 51.065 52.037 -0.099 0.000 0.665 242 A CB 1.316 20.172 19.000 -0.240 0.000 1.285 242 A HN 0.250 nan 8.150 nan 0.000 0.433 243 D N -0.162 120.054 120.400 -0.306 0.000 2.248 243 D HA 0.674 5.315 4.640 0.002 0.000 0.246 243 D C -1.594 174.440 176.300 -0.444 0.000 1.027 243 D CA 0.392 54.273 54.000 -0.199 0.000 0.853 243 D CB 1.503 42.250 40.800 -0.088 0.000 1.243 243 D HN 0.280 nan 8.370 nan 0.000 0.462 244 F N 0.511 120.465 119.950 0.007 0.000 2.532 244 F HA 0.338 4.866 4.527 0.002 0.000 0.321 244 F C 0.076 175.881 175.800 0.008 0.000 1.089 244 F CA -1.096 56.910 58.000 0.010 0.000 0.926 244 F CB 2.059 41.067 39.000 0.013 0.000 1.168 244 F HN -0.066 nan 8.300 nan 0.000 0.459 245 V N 5.390 125.407 119.914 0.172 0.000 2.378 245 V HA 0.549 4.670 4.120 0.002 0.000 0.288 245 V C -1.307 174.854 176.094 0.111 0.000 1.016 245 V CA -0.739 61.625 62.300 0.107 0.000 0.840 245 V CB 1.258 33.110 31.823 0.047 0.000 0.994 245 V HN 0.646 nan 8.190 nan 0.000 0.431 246 L N 7.397 128.676 121.223 0.093 0.000 2.281 246 L HA 0.825 5.166 4.340 0.002 0.000 0.285 246 L C 0.239 177.144 176.870 0.057 0.000 1.074 246 L CA 0.463 55.347 54.840 0.074 0.000 0.817 246 L CB 1.066 43.158 42.059 0.055 0.000 1.168 246 L HN 0.811 nan 8.230 nan 0.000 0.434 247 A N 6.850 129.705 122.820 0.059 0.000 2.545 247 A HA 0.560 4.881 4.320 0.002 0.000 0.300 247 A C -0.616 177.012 177.584 0.073 0.000 1.252 247 A CA -0.412 51.659 52.037 0.057 0.000 0.753 247 A CB 0.165 19.186 19.000 0.035 0.000 1.144 247 A HN 0.734 nan 8.150 nan 0.000 0.457 248 L N 3.333 124.601 121.223 0.076 0.000 3.047 248 L HA 0.437 4.778 4.340 0.002 0.000 0.242 248 L C 1.298 178.225 176.870 0.095 0.000 1.315 248 L CA 0.114 54.995 54.840 0.068 0.000 1.042 248 L CB -0.267 41.816 42.059 0.040 0.000 1.420 248 L HN 1.067 nan 8.230 nan 0.000 0.517 249 G N 0.658 109.564 108.800 0.176 0.000 2.581 249 G HA2 -0.345 3.616 3.960 0.002 0.000 0.291 249 G HA3 -0.345 3.616 3.960 0.002 0.000 0.291 249 G C 0.414 175.405 174.900 0.152 0.000 1.277 249 G CA 0.317 45.551 45.100 0.223 0.000 0.959 249 G HN 0.457 nan 8.290 nan 0.000 0.554 250 D N 0.038 120.448 120.400 0.016 0.000 2.336 250 D HA 0.179 4.820 4.640 0.002 0.000 0.229 250 D C 1.033 177.338 176.300 0.009 0.000 1.061 250 D CA -0.015 53.985 54.000 -0.000 0.000 0.875 250 D CB -0.107 40.631 40.800 -0.103 0.000 0.904 250 D HN 0.233 nan 8.370 nan 0.000 0.525 251 L N 1.320 122.555 121.223 0.019 0.000 2.380 251 L HA 0.129 4.470 4.340 0.002 0.000 0.273 251 L C 0.110 176.991 176.870 0.019 0.000 1.138 251 L CA -0.410 54.436 54.840 0.011 0.000 0.832 251 L CB 0.938 43.003 42.059 0.011 0.000 1.124 251 L HN -0.196 nan 8.230 nan 0.000 0.454 252 D N 3.731 124.138 120.400 0.012 0.000 2.472 252 D HA -0.058 4.583 4.640 0.002 0.000 0.248 252 D C 0.862 177.172 176.300 0.016 0.000 1.174 252 D CA 0.692 54.701 54.000 0.014 0.000 0.883 252 D CB 0.399 41.204 40.800 0.009 0.000 1.149 252 D HN 0.596 nan 8.370 nan 0.000 0.488 253 I N 2.416 122.997 120.570 0.019 0.000 4.070 253 I HA -0.062 4.109 4.170 0.002 0.000 0.328 253 I C 1.450 177.577 176.117 0.017 0.000 1.298 253 I CA -0.057 61.255 61.300 0.020 0.000 1.173 253 I CB 0.194 38.209 38.000 0.025 0.000 1.051 253 I HN 0.240 nan 8.210 nan 0.000 0.409 254 S N 2.442 118.151 115.700 0.015 0.000 2.400 254 S HA -0.140 4.331 4.470 0.002 0.000 0.234 254 S C -0.594 174.013 174.600 0.012 0.000 1.049 254 S CA 2.008 60.216 58.200 0.013 0.000 1.039 254 S CB -1.254 61.953 63.200 0.011 0.000 0.856 254 S HN 0.470 nan 8.310 nan 0.000 0.465 255 P HA 0.023 nan 4.420 nan 0.000 0.225 255 P C 0.815 178.122 177.300 0.012 0.000 1.148 255 P CA 0.729 63.836 63.100 0.012 0.000 0.779 255 P CB -0.089 31.619 31.700 0.014 0.000 0.780 256 L N -2.428 118.802 121.223 0.013 0.000 2.599 256 L HA 0.159 4.500 4.340 0.002 0.000 0.230 256 L C 1.547 178.421 176.870 0.007 0.000 1.141 256 L CA 0.267 55.113 54.840 0.010 0.000 0.877 256 L CB -1.264 40.802 42.059 0.010 0.000 1.009 256 L HN 0.091 nan 8.230 nan 0.000 0.447 257 G N 0.458 109.263 108.800 0.008 0.000 2.578 257 G HA2 -0.311 3.650 3.960 0.002 0.000 0.275 257 G HA3 -0.311 3.650 3.960 0.002 0.000 0.275 257 G C 0.071 174.975 174.900 0.007 0.000 1.271 257 G CA -0.035 45.069 45.100 0.007 0.000 0.941 257 G HN 0.206 nan 8.290 nan 0.000 0.564 258 T N 1.060 115.618 114.554 0.006 0.000 2.940 258 T HA 0.432 4.783 4.350 0.002 0.000 0.309 258 T C 0.337 175.039 174.700 0.004 0.000 1.056 258 T CA -0.003 62.101 62.100 0.006 0.000 1.137 258 T CB 1.028 69.900 68.868 0.006 0.000 0.976 258 T HN 0.572 nan 8.240 nan 0.000 0.547 259 L N 4.091 125.318 121.223 0.007 0.000 2.344 259 L HA 0.501 4.842 4.340 0.002 0.000 0.272 259 L C -1.937 174.937 176.870 0.007 0.000 1.035 259 L CA -2.485 52.358 54.840 0.005 0.000 0.807 259 L CB 0.212 42.278 42.059 0.012 0.000 1.237 259 L HN 0.456 nan 8.230 nan 0.000 0.442 260 P HA 0.202 nan 4.420 nan 0.000 0.268 260 P C 0.397 177.713 177.300 0.026 0.000 1.205 260 P CA -0.250 62.854 63.100 0.008 0.000 0.771 260 P CB 0.503 32.199 31.700 -0.007 0.000 0.858 261 R N 2.140 122.657 120.500 0.029 0.000 2.249 261 R HA -0.126 4.215 4.340 0.002 0.000 0.230 261 R C 1.167 177.498 176.300 0.052 0.000 1.121 261 R CA 1.176 57.297 56.100 0.035 0.000 0.997 261 R CB -0.286 30.030 30.300 0.028 0.000 0.867 261 R HN 0.604 nan 8.270 nan 0.000 0.465 262 N N -0.593 118.153 118.700 0.076 0.000 2.230 262 N HA -0.002 4.739 4.740 0.002 0.000 0.202 262 N C -0.464 175.152 175.510 0.177 0.000 1.119 262 N CA 0.067 53.189 53.050 0.119 0.000 0.851 262 N CB 0.717 39.296 38.487 0.155 0.000 0.990 262 N HN -0.150 nan 8.380 nan 0.000 0.497 263 V N 2.091 122.080 119.914 0.124 0.000 2.409 263 V HA 0.400 4.521 4.120 0.002 0.000 0.291 263 V C -0.148 175.995 176.094 0.081 0.000 1.020 263 V CA -0.962 61.415 62.300 0.129 0.000 0.848 263 V CB 1.479 33.337 31.823 0.057 0.000 0.990 263 V HN 0.347 nan 8.190 nan 0.000 0.430 264 R N 4.094 124.644 120.500 0.084 0.000 2.437 264 R HA 0.873 5.214 4.340 0.002 0.000 0.310 264 R C -0.251 176.078 176.300 0.050 0.000 0.955 264 R CA -0.472 55.660 56.100 0.054 0.000 0.851 264 R CB 1.774 32.100 30.300 0.042 0.000 1.161 264 R HN 0.642 nan 8.270 nan 0.000 0.446 265 A N 2.705 125.548 122.820 0.039 0.000 2.445 265 A HA 0.433 4.754 4.320 0.002 0.000 0.242 265 A C -0.334 177.269 177.584 0.031 0.000 1.075 265 A CA -0.447 51.612 52.037 0.036 0.000 0.777 265 A CB 1.052 20.071 19.000 0.032 0.000 1.013 265 A HN 0.575 nan 8.150 nan 0.000 0.493 266 V N 1.409 121.342 119.914 0.031 0.000 2.888 266 V HA 0.653 4.774 4.120 0.002 0.000 0.309 266 V C 0.734 176.848 176.094 0.034 0.000 1.114 266 V CA 0.123 62.435 62.300 0.021 0.000 0.940 266 V CB 2.036 33.860 31.823 0.002 0.000 1.021 266 V HN 1.468 nan 8.190 nan 0.000 0.426 267 G N 2.927 111.749 108.800 0.036 0.000 2.667 267 G HA2 0.199 4.160 3.960 0.002 0.000 0.250 267 G HA3 0.199 4.160 3.960 0.002 0.000 0.250 267 G C -0.709 174.245 174.900 0.091 0.000 1.212 267 G CA -0.249 44.897 45.100 0.077 0.000 0.874 267 G HN 0.961 nan 8.290 nan 0.000 0.561 268 W N 1.609 122.900 121.300 -0.015 0.000 2.264 268 W HA 0.433 5.094 4.660 0.002 0.000 0.331 268 W C 0.745 177.242 176.519 -0.038 0.000 1.364 268 W CA 0.396 57.726 57.345 -0.024 0.000 1.253 268 W CB 0.461 29.908 29.460 -0.022 0.000 1.215 268 W HN 0.680 nan 8.180 nan 0.000 0.561 269 T N 3.947 117.822 114.554 -1.131 0.000 2.883 269 T HA 0.585 4.936 4.350 0.002 0.000 0.296 269 T C -2.765 170.919 174.700 -1.694 0.000 1.117 269 T CA -2.428 58.806 62.100 -1.444 0.000 1.006 269 T CB 1.647 70.119 68.868 -0.661 0.000 1.191 269 T HN 0.162 nan 8.240 nan 0.000 0.508 270 P HA 0.082 nan 4.420 nan 0.000 0.265 270 P C 0.966 177.906 177.300 -0.600 0.000 1.187 270 P CA -0.441 62.199 63.100 -0.767 0.000 0.766 270 P CB 0.332 31.555 31.700 -0.796 0.000 0.820 271 L N 4.753 125.795 121.223 -0.302 0.000 1.990 271 L HA -0.244 4.097 4.340 0.002 0.000 0.213 271 L C 2.449 179.226 176.870 -0.155 0.000 1.072 271 L CA 1.983 56.733 54.840 -0.150 0.000 0.755 271 L CB -1.440 40.625 42.059 0.011 0.000 0.889 271 L HN 0.580 nan 8.230 nan 0.000 0.432 272 H N -3.075 115.970 119.070 -0.041 0.000 2.422 272 H HA -0.121 4.436 4.556 0.002 0.000 0.298 272 H C 1.691 176.985 175.328 -0.057 0.000 1.098 272 H CA 1.622 57.656 56.048 -0.024 0.000 1.315 272 H CB -1.042 28.718 29.762 -0.003 0.000 1.382 272 H HN 0.356 nan 8.280 nan 0.000 0.523 273 T N 1.950 116.251 114.554 -0.422 0.000 2.737 273 T HA -0.088 4.263 4.350 0.002 0.000 0.265 273 T C 2.252 176.859 174.700 -0.156 0.000 1.038 273 T CA 1.101 63.064 62.100 -0.229 0.000 1.144 273 T CB -0.362 68.290 68.868 -0.360 0.000 0.866 273 T HN 0.201 nan 8.240 nan 0.000 0.434 274 L N 1.009 122.112 121.223 -0.199 0.000 2.042 274 L HA 0.033 4.374 4.340 0.002 0.000 0.210 274 L C 1.981 178.812 176.870 -0.064 0.000 1.076 274 L CA 1.658 56.420 54.840 -0.130 0.000 0.749 274 L CB -0.503 41.472 42.059 -0.140 0.000 0.893 274 L HN 0.243 nan 8.230 nan 0.000 0.432 275 L N -1.009 120.190 121.223 -0.039 0.000 2.551 275 L HA -0.055 4.286 4.340 0.002 0.000 0.228 275 L C 2.521 179.391 176.870 0.001 0.000 1.153 275 L CA 0.298 55.134 54.840 -0.007 0.000 0.851 275 L CB -0.545 41.523 42.059 0.015 0.000 0.959 275 L HN 0.244 nan 8.230 nan 0.000 0.451 276 R N 0.131 120.631 120.500 -0.000 0.000 2.139 276 R HA -0.158 4.183 4.340 0.002 0.000 0.243 276 R C 1.978 178.274 176.300 -0.007 0.000 1.145 276 R CA 1.953 58.056 56.100 0.004 0.000 0.976 276 R CB -0.296 30.006 30.300 0.003 0.000 0.866 276 R HN 0.456 nan 8.270 nan 0.000 0.449 277 T N -3.790 110.754 114.554 -0.017 0.000 3.085 277 T HA 0.221 4.572 4.350 0.002 0.000 0.264 277 T C 0.538 175.223 174.700 -0.025 0.000 1.019 277 T CA -0.546 61.542 62.100 -0.021 0.000 0.910 277 T CB -0.075 68.778 68.868 -0.025 0.000 1.059 277 T HN 0.012 nan 8.240 nan 0.000 0.542 278 C N 0.929 120.217 119.300 -0.020 0.000 2.351 278 C HA 0.690 5.151 4.460 0.002 0.000 0.359 278 C C 1.953 176.929 174.990 -0.024 0.000 1.193 278 C CA -0.458 58.546 59.018 -0.024 0.000 2.270 278 C CB 1.248 28.981 27.740 -0.011 0.000 2.369 278 C HN 0.557 nan 8.230 nan 0.000 0.553 279 T N -0.275 114.257 114.554 -0.037 0.000 3.001 279 T HA 0.500 4.851 4.350 0.002 0.000 0.251 279 T C 0.107 174.791 174.700 -0.026 0.000 1.040 279 T CA 0.860 62.937 62.100 -0.037 0.000 0.985 279 T CB -0.027 68.806 68.868 -0.058 0.000 1.011 279 T HN 1.007 nan 8.240 nan 0.000 0.509 280 A N -0.296 122.515 122.820 -0.015 0.000 2.544 280 A HA 0.673 4.994 4.320 0.002 0.000 0.291 280 A C -1.902 175.711 177.584 0.049 0.000 1.055 280 A CA -0.519 51.527 52.037 0.015 0.000 0.651 280 A CB 1.160 20.165 19.000 0.009 0.000 1.296 280 A HN 0.447 nan 8.150 nan 0.000 0.431 281 V N 0.614 120.583 119.914 0.092 0.000 2.777 281 V HA 0.651 4.772 4.120 0.002 0.000 0.306 281 V C -1.446 174.772 176.094 0.205 0.000 1.112 281 V CA -0.446 61.942 62.300 0.145 0.000 0.917 281 V CB 1.890 33.791 31.823 0.131 0.000 1.018 281 V HN 1.166 nan 8.190 nan 0.000 0.426 282 V N 7.737 127.770 119.914 0.197 0.000 2.370 282 V HA 0.691 4.812 4.120 0.002 0.000 0.279 282 V C -0.181 176.045 176.094 0.220 0.000 1.029 282 V CA -0.065 62.326 62.300 0.151 0.000 0.870 282 V CB 1.049 32.947 31.823 0.125 0.000 0.984 282 V HN 1.217 nan 8.190 nan 0.000 0.451 283 H N 1.051 120.188 119.070 0.112 0.000 2.947 283 H HA 0.573 5.130 4.556 0.002 0.000 0.290 283 H C 0.137 175.601 175.328 0.227 0.000 1.430 283 H CA -0.778 55.368 56.048 0.163 0.000 1.189 283 H CB 1.053 30.889 29.762 0.123 0.000 1.875 283 H HN 0.280 nan 8.280 nan 0.000 0.568 284 H N -0.516 118.659 119.070 0.176 0.000 2.535 284 H HA 0.252 4.809 4.556 0.002 0.000 0.273 284 H C 1.229 176.605 175.328 0.079 0.000 0.983 284 H CA 1.374 57.468 56.048 0.077 0.000 1.238 284 H CB 0.358 30.189 29.762 0.115 0.000 1.412 284 H HN 0.973 nan 8.280 nan 0.000 0.562 285 G N -0.758 108.250 108.800 0.347 0.000 2.148 285 G HA2 -0.154 3.807 3.960 0.002 0.000 0.157 285 G HA3 -0.154 3.807 3.960 0.002 0.000 0.157 285 G C 0.742 175.801 174.900 0.265 0.000 1.012 285 G CA -0.073 45.164 45.100 0.229 0.000 0.677 285 G HN 0.714 nan 8.290 nan 0.000 0.506 286 G N -0.315 108.663 108.800 0.297 0.000 2.554 286 G HA2 0.529 4.490 3.960 0.002 0.000 0.238 286 G HA3 0.529 4.490 3.960 0.002 0.000 0.238 286 G C 1.335 176.343 174.900 0.181 0.000 1.259 286 G CA 0.295 45.529 45.100 0.222 0.000 0.843 286 G HN 1.156 nan 8.290 nan 0.000 0.582 287 G N 0.732 109.624 108.800 0.154 0.000 2.432 287 G HA2 -0.014 3.947 3.960 0.002 0.000 0.219 287 G HA3 -0.014 3.947 3.960 0.002 0.000 0.219 287 G C 1.712 176.618 174.900 0.011 0.000 1.135 287 G CA 1.377 46.586 45.100 0.181 0.000 0.767 287 G HN 0.910 nan 8.290 nan 0.000 0.550 288 G N 0.413 109.205 108.800 -0.015 0.000 2.433 288 G HA2 -0.166 3.795 3.960 0.002 0.000 0.216 288 G HA3 -0.166 3.795 3.960 0.002 0.000 0.216 288 G C 1.841 176.690 174.900 -0.085 0.000 1.186 288 G CA 1.721 46.771 45.100 -0.083 0.000 0.779 288 G HN 0.359 nan 8.290 nan 0.000 0.543 289 T N 0.843 115.390 114.554 -0.011 0.000 2.720 289 T HA -0.018 4.333 4.350 0.002 0.000 0.268 289 T C 1.597 176.123 174.700 -0.291 0.000 1.037 289 T CA 0.616 62.626 62.100 -0.151 0.000 1.144 289 T CB -0.195 68.528 68.868 -0.241 0.000 0.864 289 T HN 0.030 nan 8.240 nan 0.000 0.444 293 A N 2.043 124.842 122.820 -0.035 0.000 1.908 293 A HA 0.008 4.329 4.320 0.002 0.000 0.218 293 A C 2.085 179.655 177.584 -0.023 0.000 1.181 293 A CA 1.457 53.475 52.037 -0.032 0.000 0.627 293 A CB -0.748 18.220 19.000 -0.054 0.000 0.818 293 A HN 0.449 nan 8.150 nan 0.000 0.445 294 I N 0.406 120.938 120.570 -0.063 0.000 2.264 294 I HA -0.223 3.948 4.170 0.002 0.000 0.248 294 I C 2.115 178.233 176.117 0.003 0.000 1.111 294 I CA 2.202 63.468 61.300 -0.056 0.000 1.382 294 I CB -1.334 36.596 38.000 -0.117 0.000 1.060 294 I HN 0.447 nan 8.210 nan 0.000 0.418 295 D N 0.909 121.343 120.400 0.056 0.000 2.219 295 D HA -0.094 4.547 4.640 0.002 0.000 0.205 295 D C 2.035 178.371 176.300 0.061 0.000 0.970 295 D CA 1.182 55.238 54.000 0.094 0.000 0.851 295 D CB 0.194 41.104 40.800 0.183 0.000 0.943 295 D HN 0.259 nan 8.370 nan 0.000 0.488 296 A N -0.496 122.355 122.820 0.051 0.000 2.167 296 A HA 0.344 4.665 4.320 0.002 0.000 0.214 296 A C 1.944 179.537 177.584 0.016 0.000 1.151 296 A CA 1.008 53.066 52.037 0.035 0.000 0.735 296 A CB -0.788 18.232 19.000 0.033 0.000 0.802 296 A HN 0.449 nan 8.150 nan 0.000 0.467 297 G N -0.048 108.758 108.800 0.009 0.000 2.258 297 G HA2 -0.279 3.682 3.960 0.002 0.000 0.274 297 G HA3 -0.279 3.682 3.960 0.002 0.000 0.274 297 G C 0.255 175.151 174.900 -0.006 0.000 1.021 297 G CA 0.712 45.810 45.100 -0.003 0.000 0.798 297 G HN 1.369 nan 8.290 nan 0.000 0.507 298 I N -2.534 118.034 120.570 -0.003 0.000 2.707 298 I HA 0.791 4.962 4.170 0.002 0.000 0.309 298 I C -1.943 174.174 176.117 -0.000 0.000 1.001 298 I CA -3.136 58.163 61.300 -0.002 0.000 1.129 298 I CB 1.983 39.986 38.000 0.004 0.000 1.308 298 I HN -0.094 nan 8.210 nan 0.000 0.466 299 P HA 0.195 nan 4.420 nan 0.000 0.274 299 P C -1.680 175.638 177.300 0.030 0.000 1.246 299 P CA -0.104 62.999 63.100 0.005 0.000 0.795 299 P CB 0.878 32.578 31.700 -0.000 0.000 1.006 300 Q N 0.319 120.142 119.800 0.038 0.000 2.456 300 Q HA 0.718 5.059 4.340 0.002 0.000 0.284 300 Q C -1.726 174.290 176.000 0.027 0.000 1.061 300 Q CA -1.262 54.591 55.803 0.083 0.000 0.799 300 Q CB 1.776 30.620 28.738 0.178 0.000 1.445 300 Q HN 0.261 nan 8.270 nan 0.000 0.411 301 L N 1.562 122.783 121.223 -0.002 0.000 2.343 301 L HA 0.421 4.762 4.340 0.002 0.000 0.278 301 L C -1.669 175.054 176.870 -0.246 0.000 0.996 301 L CA -0.750 54.042 54.840 -0.080 0.000 0.831 301 L CB 1.708 43.749 42.059 -0.029 0.000 1.232 301 L HN 0.676 nan 8.230 nan 0.000 0.413 302 L N 5.768 126.831 121.223 -0.267 0.000 2.295 302 L HA 0.492 4.833 4.340 0.002 0.000 0.288 302 L C 0.351 177.082 176.870 -0.231 0.000 1.079 302 L CA -0.016 54.613 54.840 -0.353 0.000 0.830 302 L CB 0.707 42.629 42.059 -0.228 0.000 1.200 302 L HN 0.907 nan 8.230 nan 0.000 0.438 303 A N 6.861 129.538 122.820 -0.238 0.000 3.064 303 A HA 0.606 4.928 4.320 0.002 0.000 0.339 303 A C -2.391 174.963 177.584 -0.384 0.000 1.078 303 A CA -1.194 50.714 52.037 -0.214 0.000 0.869 303 A CB 0.110 19.031 19.000 -0.132 0.000 1.067 303 A HN 0.373 nan 8.150 nan 0.000 0.480 304 P HA 0.091 nan 4.420 nan 0.000 0.274 304 P C -0.268 176.677 177.300 -0.591 0.000 1.237 304 P CA -0.296 62.431 63.100 -0.622 0.000 0.793 304 P CB 0.624 32.127 31.700 -0.329 0.000 0.977 305 D N 2.183 122.139 120.400 -0.741 0.000 2.455 305 D HA -0.016 4.625 4.640 0.002 0.000 0.241 305 D C -1.128 174.977 176.300 -0.325 0.000 1.138 305 D CA -1.384 52.324 54.000 -0.488 0.000 0.877 305 D CB 0.598 41.007 40.800 -0.651 0.000 1.187 305 D HN 0.175 nan 8.370 nan 0.000 0.451 306 P HA -0.145 nan 4.420 nan 0.000 0.220 306 P C 0.542 177.804 177.300 -0.062 0.000 1.144 306 P CA 1.090 64.129 63.100 -0.102 0.000 0.800 306 P CB 0.144 31.807 31.700 -0.061 0.000 0.772 307 R N -0.552 119.914 120.500 -0.055 0.000 2.334 307 R HA 0.112 4.453 4.340 0.002 0.000 0.220 307 R C 0.499 176.866 176.300 0.111 0.000 0.917 307 R CA -0.173 55.956 56.100 0.048 0.000 1.073 307 R CB -0.362 30.009 30.300 0.118 0.000 1.056 307 R HN 0.079 nan 8.270 nan 0.000 0.506 308 D N 0.813 121.195 120.400 -0.029 0.000 2.336 308 D HA 0.004 4.645 4.640 0.002 0.000 0.249 308 D C 0.387 176.775 176.300 0.145 0.000 1.213 308 D CA -0.086 53.974 54.000 0.100 0.000 0.870 308 D CB 1.255 41.984 40.800 -0.119 0.000 1.076 308 D HN -0.163 nan 8.370 nan 0.000 0.483 309 Q N 2.468 122.399 119.800 0.218 0.000 2.482 309 Q HA 0.135 4.476 4.340 0.002 0.000 0.209 309 Q C 0.107 175.978 176.000 -0.214 0.000 0.961 309 Q CA 0.540 56.355 55.803 0.019 0.000 0.945 309 Q CB -0.039 28.709 28.738 0.017 0.000 1.012 309 Q HN 0.538 nan 8.270 nan 0.000 0.515 310 F N -0.498 119.533 119.950 0.135 0.000 2.735 310 F HA 0.158 4.687 4.527 0.002 0.000 0.304 310 F C 1.307 177.306 175.800 0.331 0.000 1.119 310 F CA -0.293 57.867 58.000 0.266 0.000 1.280 310 F CB 0.451 39.553 39.000 0.171 0.000 0.994 310 F HN 0.128 nan 8.300 nan 0.000 0.520 311 Q N -1.555 118.407 119.800 0.270 0.000 2.398 311 Q HA -0.083 4.258 4.340 0.002 0.000 0.204 311 Q C 1.670 177.684 176.000 0.024 0.000 0.932 311 Q CA 1.063 56.941 55.803 0.126 0.000 0.916 311 Q CB -0.386 28.382 28.738 0.051 0.000 1.024 311 Q HN 0.486 nan 8.270 nan 0.000 0.504 312 H N 2.529 121.578 119.070 -0.035 0.000 2.267 312 H HA -0.130 4.427 4.556 0.002 0.000 0.297 312 H C 1.993 177.172 175.328 -0.249 0.000 1.080 312 H CA 3.242 59.225 56.048 -0.108 0.000 1.278 312 H CB -0.322 29.420 29.762 -0.034 0.000 1.365 312 H HN 0.426 nan 8.280 nan 0.000 0.489 313 T N -1.359 112.773 114.554 -0.704 0.000 2.759 313 T HA -0.156 4.195 4.350 0.002 0.000 0.269 313 T C 2.273 176.669 174.700 -0.508 0.000 1.042 313 T CA 1.411 63.039 62.100 -0.786 0.000 1.140 313 T CB -0.984 67.182 68.868 -1.169 0.000 0.864 313 T HN 0.474 nan 8.240 nan 0.000 0.455 314 A N 2.257 124.843 122.820 -0.390 0.000 1.865 314 A HA -0.123 4.198 4.320 0.002 0.000 0.217 314 A C 2.565 180.083 177.584 -0.109 0.000 1.191 314 A CA 1.737 53.712 52.037 -0.102 0.000 0.623 314 A CB -0.793 18.201 19.000 -0.009 0.000 0.826 314 A HN 0.500 nan 8.150 nan 0.000 0.444 315 R N -0.871 119.521 120.500 -0.179 0.000 2.115 315 R HA -0.242 4.099 4.340 0.002 0.000 0.239 315 R C 2.348 178.541 176.300 -0.178 0.000 1.133 315 R CA 1.998 58.000 56.100 -0.164 0.000 0.935 315 R CB -0.375 29.828 30.300 -0.161 0.000 0.853 315 R HN 0.670 nan 8.270 nan 0.000 0.433 316 E N 0.419 120.444 120.200 -0.293 0.000 2.077 316 E HA -0.163 4.188 4.350 0.002 0.000 0.193 316 E C 1.780 178.309 176.600 -0.118 0.000 0.989 316 E CA 1.654 57.926 56.400 -0.213 0.000 0.800 316 E CB -0.196 29.334 29.700 -0.283 0.000 0.746 316 E HN 0.371 nan 8.360 nan 0.000 0.452 317 A N 0.059 122.822 122.820 -0.095 0.000 1.883 317 A HA -0.168 4.153 4.320 0.002 0.000 0.217 317 A C 2.527 180.073 177.584 -0.063 0.000 1.186 317 A CA 1.822 53.842 52.037 -0.029 0.000 0.624 317 A CB -0.884 18.175 19.000 0.098 0.000 0.822 317 A HN 0.212 nan 8.150 nan 0.000 0.444 318 V N -0.433 119.436 119.914 -0.075 0.000 2.358 318 V HA -0.201 3.920 4.120 0.002 0.000 0.246 318 V C 2.805 178.859 176.094 -0.067 0.000 1.047 318 V CA 2.280 64.531 62.300 -0.081 0.000 1.035 318 V CB -0.740 31.040 31.823 -0.072 0.000 0.658 318 V HN 0.559 nan 8.190 nan 0.000 0.452 319 S N -0.546 115.116 115.700 -0.064 0.000 2.345 319 S HA -0.206 4.266 4.470 0.002 0.000 0.220 319 S C 2.143 176.718 174.600 -0.042 0.000 1.031 319 S CA 1.808 59.978 58.200 -0.050 0.000 0.996 319 S CB -0.373 62.798 63.200 -0.048 0.000 0.882 319 S HN 0.563 nan 8.310 nan 0.000 0.445 320 R N 0.913 121.388 120.500 -0.043 0.000 2.091 320 R HA -0.087 4.254 4.340 0.002 0.000 0.238 320 R C 2.311 178.591 176.300 -0.033 0.000 1.136 320 R CA 1.590 57.671 56.100 -0.032 0.000 0.959 320 R CB -0.145 30.139 30.300 -0.027 0.000 0.856 320 R HN 0.099 nan 8.270 nan 0.000 0.437 321 R N -0.502 119.972 120.500 -0.044 0.000 2.161 321 R HA 0.048 4.389 4.340 0.002 0.000 0.213 321 R C 0.935 177.207 176.300 -0.046 0.000 1.055 321 R CA 1.378 57.450 56.100 -0.048 0.000 0.996 321 R CB -0.087 30.174 30.300 -0.065 0.000 0.901 321 R HN 0.525 nan 8.270 nan 0.000 0.456 322 G N 0.472 109.244 108.800 -0.046 0.000 2.132 322 G HA2 -0.239 3.722 3.960 0.002 0.000 0.234 322 G HA3 -0.239 3.722 3.960 0.002 0.000 0.234 322 G C 0.663 175.537 174.900 -0.042 0.000 0.989 322 G CA 0.383 45.459 45.100 -0.039 0.000 0.676 322 G HN 0.512 nan 8.290 nan 0.000 0.522 323 I N -1.713 118.824 120.570 -0.055 0.000 3.564 323 I HA 0.532 4.703 4.170 0.002 0.000 0.294 323 I C 0.853 176.945 176.117 -0.041 0.000 1.289 323 I CA 0.737 62.004 61.300 -0.055 0.000 1.325 323 I CB 0.051 38.001 38.000 -0.083 0.000 1.039 323 I HN 0.593 nan 8.210 nan 0.000 0.474 324 G N 0.894 109.671 108.800 -0.039 0.000 2.488 324 G HA2 0.541 4.502 3.960 0.002 0.000 0.301 324 G HA3 0.541 4.502 3.960 0.002 0.000 0.301 324 G C -1.642 173.237 174.900 -0.035 0.000 1.339 324 G CA -0.871 44.212 45.100 -0.029 0.000 0.803 324 G HN 0.097 nan 8.290 nan 0.000 0.482 325 L N -0.086 121.116 121.223 -0.036 0.000 2.333 325 L HA 0.815 5.156 4.340 0.002 0.000 0.269 325 L C 0.038 176.872 176.870 -0.061 0.000 1.010 325 L CA -1.353 53.462 54.840 -0.041 0.000 0.818 325 L CB 2.051 44.093 42.059 -0.028 0.000 1.306 325 L HN 0.599 nan 8.230 nan 0.000 0.430 326 V N -1.423 118.456 119.914 -0.059 0.000 2.604 326 V HA 0.905 5.026 4.120 0.002 0.000 0.305 326 V C -0.447 175.609 176.094 -0.064 0.000 1.043 326 V CA -0.174 62.083 62.300 -0.073 0.000 0.888 326 V CB 1.574 33.357 31.823 -0.066 0.000 0.995 326 V HN 0.829 nan 8.190 nan 0.000 0.429 327 S N 2.109 117.761 115.700 -0.080 0.000 2.800 327 S HA 0.839 5.310 4.470 0.002 0.000 0.293 327 S C -0.367 174.176 174.600 -0.095 0.000 1.209 327 S CA 0.125 58.282 58.200 -0.072 0.000 0.884 327 S CB 1.878 65.040 63.200 -0.062 0.000 1.244 327 S HN 1.619 nan 8.310 nan 0.000 0.540 328 T N -0.241 114.258 114.554 -0.092 0.000 2.932 328 T HA 0.509 4.860 4.350 0.002 0.000 0.289 328 T C 1.342 175.971 174.700 -0.118 0.000 1.039 328 T CA 0.147 62.173 62.100 -0.123 0.000 1.024 328 T CB 1.239 70.044 68.868 -0.106 0.000 1.090 328 T HN 0.853 nan 8.240 nan 0.000 0.496 329 S N 0.935 116.542 115.700 -0.156 0.000 2.387 329 S HA -0.225 4.246 4.470 0.002 0.000 0.230 329 S C 1.454 176.014 174.600 -0.066 0.000 1.035 329 S CA 1.698 59.831 58.200 -0.112 0.000 1.014 329 S CB -0.923 62.200 63.200 -0.128 0.000 0.836 329 S HN 0.882 nan 8.310 nan 0.000 0.466 330 D N 1.654 122.015 120.400 -0.064 0.000 2.269 330 D HA -0.094 4.547 4.640 0.002 0.000 0.208 330 D C 1.710 177.987 176.300 -0.038 0.000 0.963 330 D CA 1.180 55.155 54.000 -0.042 0.000 0.864 330 D CB -0.377 40.401 40.800 -0.035 0.000 0.936 330 D HN 0.652 nan 8.370 nan 0.000 0.505 331 K N 0.682 121.055 120.400 -0.045 0.000 2.361 331 K HA 0.107 4.428 4.320 0.002 0.000 0.194 331 K C 0.028 176.606 176.600 -0.035 0.000 1.032 331 K CA -0.109 56.156 56.287 -0.037 0.000 1.048 331 K CB 0.550 33.027 32.500 -0.038 0.000 0.842 331 K HN -0.146 nan 8.250 nan 0.000 0.526 332 V N 4.160 124.050 119.914 -0.041 0.000 2.509 332 V HA -0.047 4.074 4.120 0.002 0.000 0.297 332 V C -0.213 175.862 176.094 -0.032 0.000 1.014 332 V CA 0.200 62.478 62.300 -0.036 0.000 1.127 332 V CB 0.050 31.849 31.823 -0.041 0.000 0.925 332 V HN 0.466 nan 8.190 nan 0.000 0.480 333 D N 4.066 124.452 120.400 -0.023 0.000 2.450 333 D HA 0.597 5.238 4.640 0.002 0.000 0.238 333 D C 0.846 177.141 176.300 -0.010 0.000 1.020 333 D CA -0.242 53.746 54.000 -0.019 0.000 1.010 333 D CB 1.710 42.501 40.800 -0.014 0.000 1.342 333 D HN 0.373 nan 8.370 nan 0.000 0.530 334 A N 0.585 123.401 122.820 -0.007 0.000 1.927 334 A HA -0.278 4.043 4.320 0.002 0.000 0.220 334 A C 1.430 179.030 177.584 0.026 0.000 1.185 334 A CA 2.390 54.434 52.037 0.012 0.000 0.639 334 A CB -1.143 17.865 19.000 0.012 0.000 0.820 334 A HN 0.694 nan 8.150 nan 0.000 0.451 335 D N -0.671 119.738 120.400 0.015 0.000 2.117 335 D HA -0.126 4.515 4.640 0.002 0.000 0.197 335 D C 1.718 178.028 176.300 0.017 0.000 0.987 335 D CA 1.153 55.162 54.000 0.015 0.000 0.829 335 D CB -0.249 40.556 40.800 0.007 0.000 0.961 335 D HN 0.335 nan 8.370 nan 0.000 0.460 336 L N 0.328 121.559 121.223 0.012 0.000 2.046 336 L HA -0.078 4.263 4.340 0.002 0.000 0.208 336 L C 1.893 178.781 176.870 0.030 0.000 1.077 336 L CA 1.432 56.279 54.840 0.012 0.000 0.747 336 L CB -0.435 41.623 42.059 -0.001 0.000 0.896 336 L HN 0.104 nan 8.230 nan 0.000 0.432 337 L N -1.055 120.198 121.223 0.051 0.000 2.017 337 L HA -0.229 4.112 4.340 0.002 0.000 0.208 337 L C 2.726 179.653 176.870 0.095 0.000 1.073 337 L CA 1.332 56.235 54.840 0.105 0.000 0.745 337 L CB -0.505 41.653 42.059 0.165 0.000 0.894 337 L HN 0.209 nan 8.230 nan 0.000 0.432 338 R N -0.361 120.182 120.500 0.073 0.000 2.127 338 R HA -0.216 4.125 4.340 0.002 0.000 0.238 338 R C 2.386 178.704 176.300 0.030 0.000 1.134 338 R CA 1.467 57.597 56.100 0.051 0.000 0.975 338 R CB -0.295 30.028 30.300 0.039 0.000 0.865 338 R HN 0.229 nan 8.270 nan 0.000 0.447 339 R N 0.972 121.488 120.500 0.025 0.000 2.073 339 R HA -0.105 4.237 4.340 0.002 0.000 0.229 339 R C 2.114 178.422 176.300 0.013 0.000 1.120 339 R CA 1.001 57.109 56.100 0.013 0.000 0.967 339 R CB -0.533 29.772 30.300 0.008 0.000 0.862 339 R HN 0.138 nan 8.270 nan 0.000 0.436 340 L N 0.547 121.784 121.223 0.023 0.000 2.013 340 L HA -0.112 4.229 4.340 0.002 0.000 0.212 340 L C 1.979 178.856 176.870 0.011 0.000 1.073 340 L CA 1.885 56.739 54.840 0.022 0.000 0.753 340 L CB -0.354 41.732 42.059 0.045 0.000 0.890 340 L HN 0.339 nan 8.230 nan 0.000 0.432 341 I N -0.973 119.603 120.570 0.010 0.000 2.439 341 I HA -0.114 4.057 4.170 0.002 0.000 0.251 341 I C 2.156 178.265 176.117 -0.013 0.000 1.139 341 I CA 1.199 62.491 61.300 -0.013 0.000 1.438 341 I CB -0.571 37.414 38.000 -0.025 0.000 1.085 341 I HN 0.425 nan 8.210 nan 0.000 0.427 342 G N -1.316 107.481 108.800 -0.004 0.000 2.743 342 G HA2 -0.069 3.892 3.960 0.002 0.000 0.206 342 G HA3 -0.069 3.892 3.960 0.002 0.000 0.206 342 G C 0.364 175.260 174.900 -0.006 0.000 1.115 342 G CA -0.145 44.952 45.100 -0.006 0.000 0.782 342 G HN 0.157 nan 8.290 nan 0.000 0.524 343 D N 1.626 122.023 120.400 -0.005 0.000 2.367 343 D HA 0.054 4.695 4.640 0.002 0.000 0.255 343 D C 1.797 178.091 176.300 -0.010 0.000 1.300 343 D CA -0.249 53.747 54.000 -0.007 0.000 0.959 343 D CB 0.644 41.440 40.800 -0.006 0.000 1.064 343 D HN 0.601 nan 8.370 nan 0.000 0.509 344 E N 1.493 121.687 120.200 -0.010 0.000 2.209 344 E HA -0.253 4.098 4.350 0.002 0.000 0.196 344 E C 1.494 178.086 176.600 -0.013 0.000 0.993 344 E CA 1.354 57.747 56.400 -0.012 0.000 0.819 344 E CB -0.109 29.584 29.700 -0.012 0.000 0.745 344 E HN 0.345 nan 8.360 nan 0.000 0.477 345 S N 1.039 116.731 115.700 -0.013 0.000 2.419 345 S HA -0.137 4.335 4.470 0.002 0.000 0.233 345 S C 2.013 176.602 174.600 -0.018 0.000 1.016 345 S CA 0.999 59.190 58.200 -0.015 0.000 0.974 345 S CB -0.595 62.596 63.200 -0.015 0.000 0.786 345 S HN 0.373 nan 8.310 nan 0.000 0.492 346 L N 0.652 121.865 121.223 -0.017 0.000 2.017 346 L HA -0.021 4.320 4.340 0.002 0.000 0.208 346 L C 3.163 180.021 176.870 -0.020 0.000 1.073 346 L CA 1.753 56.581 54.840 -0.019 0.000 0.745 346 L CB -0.533 41.517 42.059 -0.015 0.000 0.894 346 L HN 0.327 nan 8.230 nan 0.000 0.432 347 R N -0.212 120.278 120.500 -0.017 0.000 2.066 347 R HA -0.141 4.200 4.340 0.002 0.000 0.232 347 R C 2.325 178.613 176.300 -0.019 0.000 1.131 347 R CA 1.974 58.064 56.100 -0.017 0.000 0.955 347 R CB -0.262 30.029 30.300 -0.016 0.000 0.851 347 R HN 0.246 nan 8.270 nan 0.000 0.432 348 T N 0.589 115.132 114.554 -0.019 0.000 2.665 348 T HA -0.211 4.140 4.350 0.002 0.000 0.268 348 T C 1.784 176.469 174.700 -0.024 0.000 1.035 348 T CA 1.598 63.686 62.100 -0.020 0.000 1.151 348 T CB -0.358 68.499 68.868 -0.018 0.000 0.862 348 T HN 0.474 nan 8.240 nan 0.000 0.438 349 A N 1.356 124.159 122.820 -0.027 0.000 1.873 349 A HA 0.239 4.560 4.320 0.002 0.000 0.215 349 A C 2.689 180.249 177.584 -0.041 0.000 1.186 349 A CA 1.766 53.782 52.037 -0.035 0.000 0.616 349 A CB -1.194 17.784 19.000 -0.037 0.000 0.823 349 A HN 0.506 nan 8.150 nan 0.000 0.442 350 A N -0.201 122.596 122.820 -0.038 0.000 1.883 350 A HA -0.207 4.114 4.320 0.002 0.000 0.217 350 A C 2.275 179.838 177.584 -0.035 0.000 1.186 350 A CA 1.655 53.668 52.037 -0.041 0.000 0.624 350 A CB -0.524 18.457 19.000 -0.032 0.000 0.822 350 A HN 0.520 nan 8.150 nan 0.000 0.444 351 R N -0.762 119.722 120.500 -0.026 0.000 2.096 351 R HA -0.124 4.217 4.340 0.002 0.000 0.235 351 R C 2.158 178.444 176.300 -0.024 0.000 1.127 351 R CA 1.506 57.594 56.100 -0.021 0.000 0.968 351 R CB -0.303 29.986 30.300 -0.017 0.000 0.861 351 R HN 0.705 nan 8.270 nan 0.000 0.440 352 E N -0.020 120.162 120.200 -0.029 0.000 2.077 352 E HA -0.152 4.199 4.350 0.002 0.000 0.193 352 E C 1.967 178.545 176.600 -0.038 0.000 0.989 352 E CA 1.227 57.608 56.400 -0.031 0.000 0.800 352 E CB 0.147 29.827 29.700 -0.033 0.000 0.746 352 E HN 0.076 nan 8.360 nan 0.000 0.452 353 V N 0.750 120.635 119.914 -0.047 0.000 2.379 353 V HA -0.213 3.908 4.120 0.002 0.000 0.245 353 V C 2.361 178.428 176.094 -0.045 0.000 1.044 353 V CA 1.620 63.884 62.300 -0.059 0.000 1.036 353 V CB -0.437 31.335 31.823 -0.085 0.000 0.664 353 V HN 0.206 nan 8.190 nan 0.000 0.453 354 R N 0.097 120.576 120.500 -0.034 0.000 2.096 354 R HA -0.249 4.092 4.340 0.002 0.000 0.240 354 R C 2.331 178.627 176.300 -0.007 0.000 1.139 354 R CA 2.082 58.174 56.100 -0.013 0.000 0.952 354 R CB -0.195 30.100 30.300 -0.007 0.000 0.854 354 R HN 0.400 nan 8.270 nan 0.000 0.436 355 E N 0.828 121.020 120.200 -0.014 0.000 2.110 355 E HA -0.132 4.219 4.350 0.002 0.000 0.193 355 E C 0.443 177.035 176.600 -0.015 0.000 0.988 355 E CA 0.887 57.280 56.400 -0.012 0.000 0.804 355 E CB -0.114 29.577 29.700 -0.015 0.000 0.745 355 E HN 0.415 nan 8.360 nan 0.000 0.458 359 A N 0.302 123.132 122.820 0.015 0.000 2.168 359 A HA 0.298 4.619 4.320 0.002 0.000 0.215 359 A C 0.936 178.530 177.584 0.017 0.000 1.152 359 A CA 0.655 52.697 52.037 0.008 0.000 0.716 359 A CB -0.308 18.688 19.000 -0.005 0.000 0.794 359 A HN 0.506 nan 8.150 nan 0.000 0.465 360 L N 0.077 121.322 121.223 0.037 0.000 2.466 360 L HA 0.248 4.589 4.340 0.002 0.000 0.257 360 L C -2.190 174.716 176.870 0.059 0.000 1.189 360 L CA -2.082 52.796 54.840 0.063 0.000 0.813 360 L CB -0.018 42.109 42.059 0.115 0.000 1.118 360 L HN -0.002 nan 8.230 nan 0.000 0.471 361 P HA 0.020 nan 4.420 nan 0.000 0.265 361 P C -0.403 176.931 177.300 0.057 0.000 1.193 361 P CA -0.242 62.880 63.100 0.036 0.000 0.765 361 P CB 0.356 32.065 31.700 0.015 0.000 0.823 362 T N 1.244 115.820 114.554 0.036 0.000 2.813 362 T HA 0.167 4.518 4.350 0.002 0.000 0.297 362 T C -1.742 172.982 174.700 0.039 0.000 1.036 362 T CA -1.444 60.678 62.100 0.036 0.000 1.044 362 T CB -0.061 68.817 68.868 0.017 0.000 0.993 362 T HN 0.160 nan 8.240 nan 0.000 0.535 363 P HA -0.065 nan 4.420 nan 0.000 0.216 363 P C 1.681 178.986 177.300 0.008 0.000 1.150 363 P CA 1.574 64.697 63.100 0.038 0.000 0.843 363 P CB -0.347 31.369 31.700 0.026 0.000 0.787 364 A N 0.265 123.086 122.820 0.001 0.000 1.883 364 A HA -0.255 4.066 4.320 0.002 0.000 0.217 364 A C 2.341 179.904 177.584 -0.035 0.000 1.186 364 A CA 2.206 54.230 52.037 -0.021 0.000 0.624 364 A CB -1.347 17.647 19.000 -0.009 0.000 0.822 364 A HN 0.206 nan 8.150 nan 0.000 0.444 365 E N -0.357 119.832 120.200 -0.018 0.000 2.274 365 E HA -0.074 4.277 4.350 0.002 0.000 0.194 365 E C 1.765 178.348 176.600 -0.028 0.000 0.996 365 E CA 1.809 58.194 56.400 -0.025 0.000 0.840 365 E CB -0.530 29.158 29.700 -0.020 0.000 0.772 365 E HN 0.503 nan 8.360 nan 0.000 0.491 366 T N -0.346 114.208 114.554 0.000 0.000 2.809 366 T HA -0.041 4.310 4.350 0.002 0.000 0.260 366 T C 1.874 176.600 174.700 0.043 0.000 1.039 366 T CA 1.014 63.148 62.100 0.057 0.000 1.141 366 T CB -0.360 68.588 68.868 0.133 0.000 0.869 366 T HN 0.007 nan 8.240 nan 0.000 0.437 367 V N 1.828 121.685 119.914 -0.094 0.000 2.250 367 V HA -0.283 3.838 4.120 0.002 0.000 0.250 367 V C 2.676 178.656 176.094 -0.190 0.000 1.060 367 V CA 2.182 64.266 62.300 -0.360 0.000 1.030 367 V CB -0.591 30.862 31.823 -0.618 0.000 0.643 367 V HN 0.359 nan 8.190 nan 0.000 0.445 368 R N -0.308 120.129 120.500 -0.105 0.000 2.103 368 R HA -0.191 4.150 4.340 0.002 0.000 0.242 368 R C 2.491 178.792 176.300 0.002 0.000 1.142 368 R CA 1.826 57.903 56.100 -0.038 0.000 0.960 368 R CB -0.247 30.035 30.300 -0.030 0.000 0.858 368 R HN 0.457 nan 8.270 nan 0.000 0.439 369 R N -0.164 120.335 120.500 -0.002 0.000 2.092 369 R HA -0.072 4.269 4.340 0.002 0.000 0.231 369 R C 2.332 178.749 176.300 0.194 0.000 1.119 369 R CA 1.600 57.693 56.100 -0.010 0.000 0.970 369 R CB -0.292 29.869 30.300 -0.231 0.000 0.864 369 R HN 0.316 nan 8.270 nan 0.000 0.440 370 I N 0.078 120.825 120.570 0.296 0.000 2.163 370 I HA -0.254 3.918 4.170 0.002 0.000 0.240 370 I C 2.294 178.542 176.117 0.218 0.000 1.081 370 I CA 1.092 62.604 61.300 0.353 0.000 1.353 370 I CB -0.243 37.956 38.000 0.331 0.000 1.054 370 I HN -0.045 nan 8.210 nan 0.000 0.407 371 V N 0.700 120.703 119.914 0.148 0.000 2.332 371 V HA -0.324 3.797 4.120 0.002 0.000 0.248 371 V C 2.367 178.526 176.094 0.108 0.000 1.055 371 V CA 2.006 64.377 62.300 0.119 0.000 1.038 371 V CB -0.604 31.279 31.823 0.100 0.000 0.651 371 V HN 0.435 nan 8.190 nan 0.000 0.450 372 E N -0.643 119.617 120.200 0.100 0.000 2.110 372 E HA -0.195 4.156 4.350 0.002 0.000 0.193 372 E C 2.441 179.102 176.600 0.102 0.000 0.988 372 E CA 0.753 57.202 56.400 0.083 0.000 0.804 372 E CB -0.120 29.613 29.700 0.055 0.000 0.745 372 E HN 0.365 nan 8.360 nan 0.000 0.458 373 R N 0.583 121.175 120.500 0.154 0.000 2.280 373 R HA 0.015 4.357 4.340 0.002 0.000 0.207 373 R C 1.047 177.413 176.300 0.110 0.000 1.043 373 R CA 0.399 56.600 56.100 0.169 0.000 1.006 373 R CB -0.076 30.404 30.300 0.300 0.000 0.885 373 R HN 0.252 nan 8.270 nan 0.000 0.467 374 I N 0.000 120.624 120.570 0.090 0.000 2.984 374 I HA 0.000 4.171 4.170 0.002 0.000 0.288 374 I CA 0.000 61.334 61.300 0.057 0.000 1.566 374 I CB 0.000 38.024 38.000 0.040 0.000 1.214 374 I HN 0.000 nan 8.210 nan 0.000 0.494