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 3gnf_1_B DATA FIRST_RESID 5 DATA SEQUENCE EAIIRIPPYH YIHVLDQNSN VSRVEVGPKT YIRQDNERVL FAPVRMVTVP DATA SEQUENCE PRHYCIVANP VSRDAQSSVL FDVTGQVRLR HADQEIRLAQ DPFPLYPGEL DATA SEQUENCE LEKDITPLQV VLPNTALHLK ALLDFEDKNG DKVMAGDEWL FEGPGTYIPQ DATA SEQUENCE KEVEVVEIIQ ATVIKQNQAL RLRARKECFD RDGKERVTGE EWLVRSVGAY DATA SEQUENCE LPAVFEEVLD LVDAVILTEK TALHLRARQN FKDLRGVAHR TGEEWLVTVQ DATA SEQUENCE DTEAHVPDVY EEVLGVVPIT TLGPRHYCVI LDPMGPDGKN QLGQKRVVKG DATA SEQUENCE EKSFFLQPGE RLERGIQDVY VLSEQQGLLL KALQXXXXXX XXXXXAHQAG DATA SEQUENCE DRWLIRGPLE YVPSAKVEVV EERQAI 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.603 176.600 0.005 0.000 1.382 5 E CA 0.000 56.403 56.400 0.005 0.000 0.976 5 E CB 0.000 29.704 29.700 0.006 0.000 0.812 6 A N 0.722 123.539 122.820 -0.006 0.000 2.044 6 A HA 0.505 4.876 4.320 0.086 0.000 0.213 6 A C 0.868 178.433 177.584 -0.032 0.000 1.169 6 A CA 0.953 52.978 52.037 -0.020 0.000 0.724 6 A CB -0.088 18.893 19.000 -0.031 0.000 0.840 6 A HN 0.820 nan 8.150 nan 0.000 0.463 7 I N 2.013 122.571 120.570 -0.020 0.000 2.355 7 I HA 0.339 4.561 4.170 0.086 0.000 0.288 7 I C -1.189 174.937 176.117 0.014 0.000 0.999 7 I CA -0.478 60.810 61.300 -0.020 0.000 1.163 7 I CB 1.600 39.582 38.000 -0.029 0.000 1.316 7 I HN 0.021 nan 8.210 nan 0.000 0.454 8 I N 5.753 126.357 120.570 0.056 0.000 2.382 8 I HA 0.330 4.552 4.170 0.086 0.000 0.285 8 I C 0.037 176.193 176.117 0.064 0.000 1.007 8 I CA -0.693 60.649 61.300 0.069 0.000 1.142 8 I CB 1.335 39.404 38.000 0.116 0.000 1.289 8 I HN 0.609 nan 8.210 nan 0.000 0.453 9 R N 7.492 128.002 120.500 0.016 0.000 2.216 9 R HA 0.503 4.894 4.340 0.086 0.000 0.332 9 R C -1.067 175.214 176.300 -0.031 0.000 1.056 9 R CA 0.093 56.191 56.100 -0.004 0.000 0.901 9 R CB 0.142 30.427 30.300 -0.025 0.000 1.039 9 R HN 0.575 nan 8.270 nan 0.000 0.456 10 I N 7.925 128.482 120.570 -0.023 0.000 2.330 10 I HA 0.369 4.590 4.170 0.086 0.000 0.289 10 I C -1.998 174.066 176.117 -0.090 0.000 1.001 10 I CA -2.637 58.632 61.300 -0.051 0.000 1.193 10 I CB 1.830 39.829 38.000 -0.003 0.000 1.345 10 I HN 0.502 nan 8.210 nan 0.000 0.461 11 P HA 0.115 nan 4.420 nan 0.000 0.269 11 P C -1.972 175.291 177.300 -0.062 0.000 1.215 11 P CA -1.050 61.925 63.100 -0.209 0.000 0.780 11 P CB 0.043 31.425 31.700 -0.530 0.000 0.898 12 P HA -0.208 nan 4.420 nan 0.000 0.226 12 P C -0.015 176.969 177.300 -0.527 0.000 1.154 12 P CA 2.057 64.948 63.100 -0.348 0.000 0.918 12 P CB -0.338 31.142 31.700 -0.365 0.000 0.790 13 Y N -3.674 116.761 120.300 0.225 0.000 2.634 13 Y HA 0.295 4.897 4.550 0.086 0.000 0.292 13 Y C 0.611 176.566 175.900 0.091 0.000 0.996 13 Y CA -0.604 57.574 58.100 0.130 0.000 1.165 13 Y CB -0.316 38.162 38.460 0.030 0.000 1.194 13 Y HN 0.052 nan 8.280 nan 0.000 0.585 14 H N -0.772 118.360 119.070 0.103 0.000 2.824 14 H HA 0.665 5.273 4.556 0.086 0.000 0.345 14 H C -0.903 174.520 175.328 0.159 0.000 1.252 14 H CA -1.396 54.700 56.048 0.081 0.000 1.246 14 H CB 1.658 31.413 29.762 -0.013 0.000 1.908 14 H HN 0.155 nan 8.280 nan 0.000 0.601 15 Y N -1.419 118.948 120.300 0.112 0.000 2.656 15 Y HA 0.625 5.227 4.550 0.086 0.000 0.334 15 Y C -1.547 174.381 175.900 0.047 0.000 1.179 15 Y CA -1.410 56.709 58.100 0.032 0.000 1.050 15 Y CB 0.989 39.439 38.460 -0.016 0.000 1.308 15 Y HN 0.628 nan 8.280 nan 0.000 0.456 16 I N -1.222 119.373 120.570 0.043 0.000 3.042 16 I HA 0.647 4.869 4.170 0.086 0.000 0.310 16 I C -1.413 174.612 176.117 -0.152 0.000 1.117 16 I CA -1.233 59.940 61.300 -0.212 0.000 1.003 16 I CB 2.757 40.581 38.000 -0.293 0.000 1.228 16 I HN 0.819 nan 8.210 nan 0.000 0.443 17 H N 1.614 120.371 119.070 -0.522 0.000 2.459 17 H HA 0.641 5.248 4.556 0.086 0.000 0.332 17 H C -1.040 174.098 175.328 -0.316 0.000 1.094 17 H CA -1.024 54.848 56.048 -0.293 0.000 1.224 17 H CB 2.287 31.939 29.762 -0.183 0.000 1.449 17 H HN 0.323 nan 8.280 nan 0.000 0.484 18 V N 4.657 124.537 119.914 -0.058 0.000 2.409 18 V HA 0.102 4.273 4.120 0.086 0.000 0.291 18 V C -0.490 175.596 176.094 -0.013 0.000 1.020 18 V CA -0.779 61.479 62.300 -0.070 0.000 0.848 18 V CB 1.607 33.367 31.823 -0.104 0.000 0.990 18 V HN 0.434 nan 8.190 nan 0.000 0.430 19 L N 4.645 125.867 121.223 -0.003 0.000 2.264 19 L HA 0.515 4.907 4.340 0.086 0.000 0.289 19 L C -0.008 176.877 176.870 0.025 0.000 1.044 19 L CA 0.349 55.197 54.840 0.014 0.000 0.807 19 L CB 1.103 43.171 42.059 0.016 0.000 1.192 19 L HN 0.716 nan 8.230 nan 0.000 0.425 20 D N 3.707 124.124 120.400 0.029 0.000 2.277 20 D HA 0.109 4.801 4.640 0.086 0.000 0.249 20 D C 0.033 176.348 176.300 0.026 0.000 1.134 20 D CA 0.004 54.022 54.000 0.031 0.000 0.863 20 D CB 1.336 42.156 40.800 0.032 0.000 1.143 20 D HN 0.734 nan 8.370 nan 0.000 0.458 21 Q N 2.078 121.892 119.800 0.023 0.000 2.356 21 Q HA 0.042 4.434 4.340 0.086 0.000 0.205 21 Q C 1.642 177.653 176.000 0.017 0.000 0.901 21 Q CA 0.337 56.151 55.803 0.020 0.000 0.938 21 Q CB 0.339 29.088 28.738 0.018 0.000 1.081 21 Q HN 0.647 nan 8.270 nan 0.000 0.517 22 N N 0.472 119.183 118.700 0.017 0.000 2.409 22 N HA -0.057 4.735 4.740 0.086 0.000 0.174 22 N C 1.664 177.183 175.510 0.015 0.000 1.037 22 N CA 1.041 54.099 53.050 0.014 0.000 0.898 22 N CB 0.164 38.658 38.487 0.012 0.000 1.010 22 N HN 0.258 nan 8.380 nan 0.000 0.445 23 S N -1.834 113.876 115.700 0.018 0.000 2.559 23 S HA 0.140 4.661 4.470 0.086 0.000 0.226 23 S C 0.513 175.127 174.600 0.023 0.000 1.030 23 S CA 0.668 58.880 58.200 0.019 0.000 0.956 23 S CB -0.344 62.867 63.200 0.019 0.000 0.900 23 S HN 0.644 nan 8.310 nan 0.000 0.510 24 N N -0.335 118.379 118.700 0.023 0.000 2.909 24 N HA -0.133 4.659 4.740 0.086 0.000 0.242 24 N C -0.820 174.708 175.510 0.031 0.000 0.975 24 N CA 0.577 53.642 53.050 0.026 0.000 0.921 24 N CB -1.561 36.940 38.487 0.024 0.000 1.112 24 N HN 0.334 nan 8.380 nan 0.000 0.581 25 V N 1.825 121.759 119.914 0.034 0.000 2.408 25 V HA 0.314 4.486 4.120 0.086 0.000 0.267 25 V C 0.645 176.763 176.094 0.039 0.000 1.047 25 V CA -0.219 62.107 62.300 0.043 0.000 0.937 25 V CB 1.310 33.163 31.823 0.049 0.000 0.999 25 V HN 0.316 nan 8.190 nan 0.000 0.472 26 S N 7.220 122.941 115.700 0.036 0.000 2.480 26 S HA 0.808 5.329 4.470 0.086 0.000 0.286 26 S C -0.329 174.291 174.600 0.033 0.000 1.180 26 S CA -0.924 57.285 58.200 0.016 0.000 1.075 26 S CB 1.625 64.816 63.200 -0.016 0.000 0.996 26 S HN 0.867 nan 8.310 nan 0.000 0.487 27 R N 1.173 121.697 120.500 0.039 0.000 2.855 27 R HA 0.691 5.082 4.340 0.086 0.000 0.266 27 R C -1.603 174.750 176.300 0.089 0.000 1.034 27 R CA -0.966 55.195 56.100 0.100 0.000 0.944 27 R CB 1.105 31.475 30.300 0.117 0.000 1.219 27 R HN 0.520 nan 8.270 nan 0.000 0.474 28 V N 1.224 121.216 119.914 0.130 0.000 2.607 28 V HA 0.298 4.469 4.120 0.086 0.000 0.289 28 V C -0.515 175.588 176.094 0.014 0.000 1.053 28 V CA -0.243 62.126 62.300 0.114 0.000 0.996 28 V CB 1.302 33.067 31.823 -0.097 0.000 0.995 28 V HN 0.716 nan 8.190 nan 0.000 0.476 29 E N 4.412 124.593 120.200 -0.031 0.000 2.187 29 E HA 0.431 4.832 4.350 0.086 0.000 0.268 29 E C -1.123 175.469 176.600 -0.014 0.000 0.896 29 E CA -0.349 55.986 56.400 -0.108 0.000 0.766 29 E CB 2.159 31.633 29.700 -0.377 0.000 1.142 29 E HN 0.469 nan 8.360 nan 0.000 0.408 30 V N 2.048 121.965 119.914 0.005 0.000 2.581 30 V HA 0.668 4.840 4.120 0.086 0.000 0.303 30 V C 0.421 176.529 176.094 0.024 0.000 1.041 30 V CA -0.361 61.968 62.300 0.048 0.000 0.907 30 V CB 1.895 33.741 31.823 0.038 0.000 0.994 30 V HN 0.738 nan 8.190 nan 0.000 0.442 31 G N 5.444 114.261 108.800 0.029 0.000 2.621 31 G HA2 0.484 4.496 3.960 0.086 0.000 0.271 31 G HA3 0.484 4.496 3.960 0.086 0.000 0.271 31 G C -2.621 172.231 174.900 -0.081 0.000 1.236 31 G CA -1.067 44.022 45.100 -0.018 0.000 0.958 31 G HN 0.637 nan 8.290 nan 0.000 0.512 32 P HA 0.294 nan 4.420 nan 0.000 0.282 32 P C -0.928 176.353 177.300 -0.031 0.000 1.262 32 P CA -0.073 62.981 63.100 -0.076 0.000 0.773 32 P CB 0.905 32.548 31.700 -0.094 0.000 0.879 33 K N 0.140 120.535 120.400 -0.008 0.000 2.572 33 K HA 0.422 4.794 4.320 0.086 0.000 0.263 33 K C -1.296 175.328 176.600 0.040 0.000 0.932 33 K CA -0.755 55.547 56.287 0.025 0.000 0.838 33 K CB 0.426 32.962 32.500 0.060 0.000 1.366 33 K HN 0.050 nan 8.250 nan 0.000 0.425 34 T N 2.998 117.573 114.554 0.035 0.000 2.782 34 T HA 0.091 4.493 4.350 0.086 0.000 0.298 34 T C -1.127 173.613 174.700 0.066 0.000 0.944 34 T CA -0.164 61.957 62.100 0.035 0.000 1.001 34 T CB -0.501 68.368 68.868 0.001 0.000 0.932 34 T HN 0.412 nan 8.240 nan 0.000 0.524 35 Y N 5.703 125.988 120.300 -0.024 0.000 2.316 35 Y HA 0.479 5.081 4.550 0.086 0.000 0.331 35 Y C 0.157 176.045 175.900 -0.021 0.000 1.083 35 Y CA -1.659 56.429 58.100 -0.020 0.000 1.206 35 Y CB 0.378 38.827 38.460 -0.019 0.000 1.195 35 Y HN 0.537 nan 8.280 nan 0.000 0.497 36 I N 6.257 126.407 120.570 -0.701 0.000 2.389 36 I HA 0.535 4.756 4.170 0.086 0.000 0.288 36 I C -0.823 174.817 176.117 -0.795 0.000 0.999 36 I CA -1.167 59.820 61.300 -0.521 0.000 1.129 36 I CB 1.621 39.450 38.000 -0.286 0.000 1.288 36 I HN 0.635 nan 8.210 nan 0.000 0.444 37 R N 3.821 124.060 120.500 -0.435 0.000 2.357 37 R HA 0.457 4.849 4.340 0.086 0.000 0.296 37 R C -0.364 175.859 176.300 -0.129 0.000 1.052 37 R CA -0.681 55.282 56.100 -0.228 0.000 0.988 37 R CB 0.945 31.281 30.300 0.060 0.000 1.025 37 R HN 0.516 nan 8.270 nan 0.000 0.469 38 Q N 1.536 121.295 119.800 -0.068 0.000 2.584 38 Q HA 0.011 4.403 4.340 0.086 0.000 0.218 38 Q C 0.150 176.144 176.000 -0.010 0.000 1.079 38 Q CA 0.383 56.166 55.803 -0.034 0.000 1.008 38 Q CB 0.587 29.320 28.738 -0.008 0.000 1.267 38 Q HN 0.745 nan 8.270 nan 0.000 0.586 39 D N -0.083 120.311 120.400 -0.010 0.000 2.103 39 D HA -0.170 4.521 4.640 0.086 0.000 0.190 39 D C 0.161 176.465 176.300 0.006 0.000 0.997 39 D CA 1.503 55.501 54.000 -0.004 0.000 0.833 39 D CB -0.091 40.706 40.800 -0.005 0.000 0.961 39 D HN 0.370 nan 8.370 nan 0.000 0.447 40 N N 0.549 119.256 118.700 0.011 0.000 2.597 40 N HA 0.149 4.940 4.740 0.086 0.000 0.269 40 N C -1.111 174.413 175.510 0.025 0.000 1.204 40 N CA 0.071 53.130 53.050 0.016 0.000 0.947 40 N CB 0.210 38.706 38.487 0.014 0.000 1.258 40 N HN 0.209 nan 8.380 nan 0.000 0.508 41 E N 0.036 120.255 120.200 0.031 0.000 2.222 41 E HA 0.349 4.750 4.350 0.086 0.000 0.267 41 E C -0.583 176.041 176.600 0.041 0.000 0.884 41 E CA -0.747 55.681 56.400 0.047 0.000 0.764 41 E CB 2.440 32.190 29.700 0.084 0.000 1.169 41 E HN 0.091 nan 8.360 nan 0.000 0.413 42 R N 1.876 122.395 120.500 0.031 0.000 2.732 42 R HA 0.529 4.921 4.340 0.086 0.000 0.278 42 R C -1.235 175.064 176.300 -0.001 0.000 0.976 42 R CA -0.658 55.452 56.100 0.018 0.000 0.963 42 R CB 1.496 31.804 30.300 0.013 0.000 1.150 42 R HN 0.285 nan 8.270 nan 0.000 0.478 43 V N 5.912 125.815 119.914 -0.019 0.000 2.328 43 V HA 0.137 4.308 4.120 0.086 0.000 0.278 43 V C 0.980 176.994 176.094 -0.134 0.000 1.021 43 V CA -0.559 61.690 62.300 -0.085 0.000 0.838 43 V CB 1.469 33.262 31.823 -0.050 0.000 0.999 43 V HN 0.770 nan 8.190 nan 0.000 0.447 44 L N 5.087 126.157 121.223 -0.255 0.000 2.201 44 L HA 0.147 4.539 4.340 0.086 0.000 0.212 44 L C 0.444 177.265 176.870 -0.082 0.000 1.105 44 L CA 1.782 56.509 54.840 -0.188 0.000 0.775 44 L CB -1.220 40.743 42.059 -0.159 0.000 0.913 44 L HN 0.760 nan 8.230 nan 0.000 0.440 45 F N -4.152 115.788 119.950 -0.017 0.000 2.741 45 F HA 0.695 5.274 4.527 0.086 0.000 0.311 45 F C -0.019 175.737 175.800 -0.073 0.000 1.149 45 F CA -1.859 56.111 58.000 -0.050 0.000 0.930 45 F CB 0.297 39.249 39.000 -0.080 0.000 1.312 45 F HN -0.263 nan 8.300 nan 0.000 0.450 46 A N 1.050 123.987 122.820 0.194 0.000 2.507 46 A HA 0.541 4.913 4.320 0.086 0.000 0.235 46 A C -2.577 175.090 177.584 0.138 0.000 1.070 46 A CA -1.208 50.889 52.037 0.100 0.000 0.768 46 A CB -0.790 18.244 19.000 0.057 0.000 1.011 46 A HN 0.536 nan 8.150 nan 0.000 0.502 47 P HA 0.185 nan 4.420 nan 0.000 0.261 47 P C -0.743 176.581 177.300 0.039 0.000 1.183 47 P CA 0.275 63.392 63.100 0.029 0.000 0.761 47 P CB 0.396 32.099 31.700 0.005 0.000 0.785 48 V N 4.848 124.648 119.914 -0.189 0.000 2.547 48 V HA 0.347 4.518 4.120 0.086 0.000 0.299 48 V C 0.838 176.680 176.094 -0.419 0.000 1.040 48 V CA -0.848 61.243 62.300 -0.349 0.000 0.913 48 V CB 1.606 33.041 31.823 -0.648 0.000 0.992 48 V HN 0.454 nan 8.190 nan 0.000 0.449 49 R N 3.820 124.082 120.500 -0.397 0.000 2.537 49 R HA 0.260 4.652 4.340 0.086 0.000 0.280 49 R C 0.191 176.392 176.300 -0.166 0.000 1.058 49 R CA -0.196 55.584 56.100 -0.533 0.000 1.057 49 R CB 0.341 30.349 30.300 -0.488 0.000 0.973 49 R HN 0.670 nan 8.270 nan 0.000 0.438 50 M N 2.820 122.386 119.600 -0.057 0.000 2.240 50 M HA 0.036 4.568 4.480 0.086 0.000 0.317 50 M C -0.220 175.945 176.300 -0.225 0.000 1.087 50 M CA -0.013 55.286 55.300 -0.001 0.000 1.176 50 M CB 0.829 33.436 32.600 0.010 0.000 1.439 50 M HN 0.307 nan 8.290 nan 0.000 0.452 51 V N 1.592 121.216 119.914 -0.483 0.000 2.408 51 V HA 0.172 4.344 4.120 0.086 0.000 0.267 51 V C 0.476 176.131 176.094 -0.732 0.000 1.047 51 V CA -0.314 61.598 62.300 -0.647 0.000 0.937 51 V CB 0.807 32.129 31.823 -0.834 0.000 0.999 51 V HN 0.899 nan 8.190 nan 0.000 0.472 52 T N 4.529 118.846 114.554 -0.395 0.000 2.770 52 T HA 0.547 4.948 4.350 0.086 0.000 0.283 52 T C -0.642 173.947 174.700 -0.184 0.000 0.988 52 T CA -0.558 61.380 62.100 -0.272 0.000 0.957 52 T CB 1.211 69.945 68.868 -0.223 0.000 0.930 52 T HN 0.286 nan 8.240 nan 0.000 0.443 53 V N 8.041 127.905 119.914 -0.083 0.000 2.334 53 V HA 0.365 4.536 4.120 0.086 0.000 0.267 53 V C -2.061 174.013 176.094 -0.032 0.000 1.040 53 V CA -1.851 60.438 62.300 -0.018 0.000 0.866 53 V CB 0.502 32.392 31.823 0.112 0.000 1.019 53 V HN 0.794 nan 8.190 nan 0.000 0.468 54 P HA 0.202 nan 4.420 nan 0.000 0.269 54 P C -2.513 174.803 177.300 0.026 0.000 1.215 54 P CA -1.262 61.770 63.100 -0.113 0.000 0.780 54 P CB -0.233 31.281 31.700 -0.311 0.000 0.898 55 P HA -0.109 nan 4.420 nan 0.000 0.266 55 P C 0.512 177.924 177.300 0.187 0.000 1.186 55 P CA 0.594 63.749 63.100 0.092 0.000 0.767 55 P CB 0.019 31.754 31.700 0.057 0.000 0.820 56 R N -0.918 119.674 120.500 0.152 0.000 3.953 56 R HA -0.251 4.140 4.340 0.086 0.000 0.340 56 R C -0.939 175.422 176.300 0.102 0.000 1.195 56 R CA 1.297 57.470 56.100 0.122 0.000 0.929 56 R CB -2.930 27.416 30.300 0.076 0.000 1.402 56 R HN 0.574 nan 8.270 nan 0.000 0.540 57 H N -0.819 118.291 119.070 0.066 0.000 2.812 57 H HA 0.774 5.382 4.556 0.087 0.000 0.355 57 H C -0.351 175.077 175.328 0.167 0.000 1.207 57 H CA 0.109 56.206 56.048 0.082 0.000 1.217 57 H CB 0.973 30.735 29.762 -0.000 0.000 1.874 57 H HN 0.281 nan 8.280 nan 0.000 0.581 58 Y N -1.577 118.797 120.300 0.122 0.000 2.655 58 Y HA 0.634 5.236 4.550 0.086 0.000 0.336 58 Y C -1.067 174.878 175.900 0.075 0.000 1.154 58 Y CA -1.432 56.709 58.100 0.068 0.000 1.055 58 Y CB 0.712 39.172 38.460 0.000 0.000 1.295 58 Y HN 0.925 nan 8.280 nan 0.000 0.465 59 C N 0.687 120.027 119.300 0.067 0.000 3.213 59 C HA 0.895 5.407 4.460 0.086 0.000 0.319 59 C C -1.020 174.071 174.990 0.169 0.000 1.386 59 C CA -1.225 57.780 59.018 -0.022 0.000 1.494 59 C CB 1.263 29.022 27.740 0.031 0.000 1.905 59 C HN 0.912 nan 8.230 nan 0.000 0.456 60 I N 1.552 122.188 120.570 0.110 0.000 2.447 60 I HA 0.489 4.710 4.170 0.086 0.000 0.287 60 I C -0.657 175.508 176.117 0.079 0.000 1.023 60 I CA -0.586 60.783 61.300 0.114 0.000 1.083 60 I CB 1.829 39.897 38.000 0.113 0.000 1.245 60 I HN 0.518 nan 8.210 nan 0.000 0.434 61 V N 5.372 125.323 119.914 0.062 0.000 2.407 61 V HA 0.554 4.725 4.120 0.086 0.000 0.278 61 V C 0.606 176.716 176.094 0.025 0.000 1.037 61 V CA -0.432 61.900 62.300 0.053 0.000 0.900 61 V CB 1.431 33.279 31.823 0.042 0.000 0.983 61 V HN 0.847 nan 8.190 nan 0.000 0.459 62 A N 4.505 127.345 122.820 0.033 0.000 2.304 62 A HA 0.580 4.952 4.320 0.086 0.000 0.301 62 A C 0.726 178.321 177.584 0.018 0.000 1.132 62 A CA -0.491 51.560 52.037 0.023 0.000 0.819 62 A CB 0.032 19.050 19.000 0.031 0.000 1.094 62 A HN 1.049 nan 8.150 nan 0.000 0.492 63 N N -0.679 118.022 118.700 0.002 0.000 2.738 63 N HA -0.108 4.684 4.740 0.086 0.000 0.249 63 N C -2.613 172.855 175.510 -0.070 0.000 1.047 63 N CA 0.991 54.025 53.050 -0.027 0.000 0.707 63 N CB -1.893 36.603 38.487 0.015 0.000 0.937 63 N HN 0.545 nan 8.380 nan 0.000 0.545 64 P HA 0.061 nan 4.420 nan 0.000 0.269 64 P C 0.751 177.951 177.300 -0.166 0.000 1.209 64 P CA -0.248 62.791 63.100 -0.102 0.000 0.776 64 P CB 0.700 32.339 31.700 -0.101 0.000 0.876 65 V N 0.738 120.532 119.914 -0.200 0.000 2.788 65 V HA 0.187 4.358 4.120 0.086 0.000 0.307 65 V C 0.681 176.609 176.094 -0.276 0.000 1.069 65 V CA -0.290 61.827 62.300 -0.306 0.000 1.173 65 V CB -0.477 31.052 31.823 -0.490 0.000 0.925 65 V HN 0.713 nan 8.190 nan 0.000 0.492 66 S N 4.583 120.111 115.700 -0.286 0.000 2.610 66 S HA 0.763 5.285 4.470 0.086 0.000 0.273 66 S C -0.263 174.198 174.600 -0.231 0.000 1.274 66 S CA -0.855 57.211 58.200 -0.223 0.000 1.023 66 S CB 1.206 64.293 63.200 -0.188 0.000 0.962 66 S HN 0.901 nan 8.310 nan 0.000 0.523 67 R N 0.574 120.974 120.500 -0.168 0.000 2.740 67 R HA 0.408 4.800 4.340 0.086 0.000 0.273 67 R C -0.784 175.459 176.300 -0.095 0.000 0.998 67 R CA -0.875 55.139 56.100 -0.143 0.000 0.900 67 R CB 1.231 31.451 30.300 -0.132 0.000 1.223 67 R HN 0.881 nan 8.270 nan 0.000 0.466 68 D N 1.097 121.454 120.400 -0.072 0.000 2.376 68 D HA 0.047 4.739 4.640 0.086 0.000 0.268 68 D C 0.853 177.129 176.300 -0.040 0.000 1.252 68 D CA -0.154 53.818 54.000 -0.047 0.000 1.041 68 D CB 0.279 41.062 40.800 -0.029 0.000 1.109 68 D HN 0.472 nan 8.370 nan 0.000 0.552 69 A N -0.817 121.986 122.820 -0.028 0.000 2.024 69 A HA -0.223 4.149 4.320 0.086 0.000 0.220 69 A C 2.016 179.588 177.584 -0.021 0.000 1.164 69 A CA 1.786 53.809 52.037 -0.023 0.000 0.643 69 A CB -0.712 18.279 19.000 -0.016 0.000 0.806 69 A HN 0.470 nan 8.150 nan 0.000 0.451 70 Q N -1.035 118.754 119.800 -0.019 0.000 2.246 70 Q HA 0.264 4.655 4.340 0.086 0.000 0.202 70 Q C 0.600 176.589 176.000 -0.020 0.000 0.883 70 Q CA 0.745 56.540 55.803 -0.014 0.000 0.952 70 Q CB -0.247 28.488 28.738 -0.006 0.000 1.078 70 Q HN 0.485 nan 8.270 nan 0.000 0.493 71 S N -1.427 114.253 115.700 -0.034 0.000 3.586 71 S HA -0.158 4.364 4.470 0.086 0.000 0.309 71 S C -0.471 174.099 174.600 -0.051 0.000 1.195 71 S CA 0.635 58.807 58.200 -0.047 0.000 0.895 71 S CB -1.357 61.819 63.200 -0.040 0.000 0.983 71 S HN 0.426 nan 8.310 nan 0.000 0.563 72 S N 0.857 116.531 115.700 -0.043 0.000 2.489 72 S HA 0.556 5.077 4.470 0.086 0.000 0.291 72 S C 0.373 174.926 174.600 -0.078 0.000 1.151 72 S CA -0.617 57.564 58.200 -0.033 0.000 1.082 72 S CB 1.830 65.034 63.200 0.007 0.000 1.019 72 S HN 0.373 nan 8.310 nan 0.000 0.492 73 V N 4.294 124.135 119.914 -0.121 0.000 2.694 73 V HA 0.033 4.205 4.120 0.086 0.000 0.306 73 V C 0.187 176.111 176.094 -0.283 0.000 1.054 73 V CA 0.336 62.451 62.300 -0.308 0.000 1.161 73 V CB -0.280 31.233 31.823 -0.516 0.000 0.916 73 V HN 0.642 nan 8.190 nan 0.000 0.490 74 L N 4.845 125.823 121.223 -0.407 0.000 2.334 74 L HA 0.638 5.029 4.340 0.086 0.000 0.275 74 L C -0.665 175.903 176.870 -0.503 0.000 1.036 74 L CA -0.237 54.443 54.840 -0.268 0.000 0.807 74 L CB 1.427 43.387 42.059 -0.165 0.000 1.231 74 L HN 0.451 nan 8.230 nan 0.000 0.438 75 F N -0.560 119.350 119.950 -0.066 0.000 2.563 75 F HA 0.335 4.914 4.527 0.086 0.000 0.316 75 F C 0.228 176.011 175.800 -0.028 0.000 1.076 75 F CA -0.885 57.087 58.000 -0.047 0.000 0.921 75 F CB 1.586 40.569 39.000 -0.029 0.000 1.209 75 F HN 0.402 nan 8.300 nan 0.000 0.462 76 D N 0.347 120.841 120.400 0.156 0.000 2.354 76 D HA 0.092 4.783 4.640 0.086 0.000 0.238 76 D C 1.373 177.727 176.300 0.089 0.000 1.250 76 D CA 0.130 54.185 54.000 0.091 0.000 0.911 76 D CB 0.726 41.572 40.800 0.076 0.000 1.163 76 D HN 0.360 nan 8.370 nan 0.000 0.456 77 V N -1.306 118.643 119.914 0.057 0.000 2.867 77 V HA -0.203 3.968 4.120 0.086 0.000 0.260 77 V C 1.636 177.755 176.094 0.041 0.000 1.099 77 V CA 2.143 64.469 62.300 0.043 0.000 1.122 77 V CB -1.485 30.357 31.823 0.031 0.000 0.708 77 V HN 0.679 nan 8.190 nan 0.000 0.490 78 T N -3.120 111.464 114.554 0.050 0.000 2.939 78 T HA 0.461 4.863 4.350 0.086 0.000 0.254 78 T C 1.738 176.469 174.700 0.051 0.000 1.041 78 T CA 1.184 63.311 62.100 0.045 0.000 1.142 78 T CB 0.370 69.265 68.868 0.045 0.000 0.874 78 T HN 1.474 nan 8.240 nan 0.000 0.452 79 G N 0.447 109.301 108.800 0.091 0.000 2.227 79 G HA2 -0.127 3.884 3.960 0.086 0.000 0.168 79 G HA3 -0.127 3.884 3.960 0.086 0.000 0.168 79 G C -0.143 174.898 174.900 0.235 0.000 1.006 79 G CA -0.091 45.075 45.100 0.110 0.000 0.684 79 G HN 0.758 nan 8.290 nan 0.000 0.489 80 Q N 1.455 121.370 119.800 0.191 0.000 2.352 80 Q HA 0.519 4.911 4.340 0.086 0.000 0.260 80 Q C 1.027 177.136 176.000 0.180 0.000 0.976 80 Q CA 0.006 55.917 55.803 0.179 0.000 0.881 80 Q CB 1.243 30.038 28.738 0.095 0.000 1.235 80 Q HN 0.894 nan 8.270 nan 0.000 0.419 81 V N 2.461 122.425 119.914 0.083 0.000 2.694 81 V HA 0.117 4.289 4.120 0.086 0.000 0.306 81 V C 0.339 176.294 176.094 -0.232 0.000 1.054 81 V CA -0.131 62.006 62.300 -0.270 0.000 1.161 81 V CB 0.279 31.931 31.823 -0.285 0.000 0.916 81 V HN 0.766 nan 8.190 nan 0.000 0.490 82 R N 3.812 124.103 120.500 -0.349 0.000 2.202 82 R HA 0.610 5.002 4.340 0.086 0.000 0.334 82 R C -0.848 175.261 176.300 -0.319 0.000 1.036 82 R CA -0.473 55.475 56.100 -0.253 0.000 0.878 82 R CB 0.500 30.674 30.300 -0.210 0.000 1.067 82 R HN 0.819 nan 8.270 nan 0.000 0.457 83 L N 3.918 124.923 121.223 -0.362 0.000 2.334 83 L HA 0.567 4.958 4.340 0.086 0.000 0.270 83 L C 0.222 176.790 176.870 -0.503 0.000 1.018 83 L CA -1.130 53.448 54.840 -0.436 0.000 0.811 83 L CB 1.743 43.526 42.059 -0.460 0.000 1.271 83 L HN 0.465 nan 8.230 nan 0.000 0.443 84 R N 0.978 121.275 120.500 -0.338 0.000 2.230 84 R HA 0.229 4.620 4.340 0.086 0.000 0.337 84 R C 0.509 176.701 176.300 -0.179 0.000 1.063 84 R CA -0.506 55.460 56.100 -0.224 0.000 0.935 84 R CB 0.643 30.862 30.300 -0.134 0.000 1.121 84 R HN 0.564 nan 8.270 nan 0.000 0.486 85 H N 2.226 121.278 119.070 -0.029 0.000 2.274 85 H HA -0.129 4.478 4.556 0.086 0.000 0.296 85 H C 1.155 176.477 175.328 -0.010 0.000 1.061 85 H CA 2.044 58.081 56.048 -0.018 0.000 1.226 85 H CB 0.192 29.946 29.762 -0.014 0.000 1.370 85 H HN 0.601 nan 8.280 nan 0.000 0.507 86 A N 1.293 124.187 122.820 0.124 0.000 2.640 86 A HA 0.095 4.467 4.320 0.086 0.000 0.282 86 A C 0.076 177.679 177.584 0.032 0.000 1.357 86 A CA -0.243 51.833 52.037 0.066 0.000 0.946 86 A CB -0.259 18.773 19.000 0.054 0.000 1.065 86 A HN 0.231 nan 8.150 nan 0.000 0.541 87 D N -0.332 120.077 120.400 0.014 0.000 2.487 87 D HA 0.535 5.226 4.640 0.086 0.000 0.262 87 D C -0.070 176.221 176.300 -0.016 0.000 1.130 87 D CA -0.010 53.985 54.000 -0.009 0.000 1.038 87 D CB 0.820 41.603 40.800 -0.028 0.000 1.142 87 D HN 0.326 nan 8.370 nan 0.000 0.575 88 Q N 0.038 119.822 119.800 -0.027 0.000 2.421 88 Q HA 0.452 4.843 4.340 0.086 0.000 0.280 88 Q C -1.225 174.750 176.000 -0.042 0.000 1.085 88 Q CA -0.737 55.052 55.803 -0.025 0.000 0.807 88 Q CB 2.657 31.385 28.738 -0.017 0.000 1.405 88 Q HN 0.333 nan 8.270 nan 0.000 0.419 89 E N 1.832 122.010 120.200 -0.036 0.000 2.256 89 E HA 0.348 4.750 4.350 0.086 0.000 0.268 89 E C -1.008 175.580 176.600 -0.021 0.000 0.877 89 E CA -0.639 55.730 56.400 -0.051 0.000 0.757 89 E CB 1.288 30.942 29.700 -0.078 0.000 1.183 89 E HN 0.445 nan 8.360 nan 0.000 0.418 90 I N 4.440 124.989 120.570 -0.034 0.000 2.352 90 I HA 0.218 4.439 4.170 0.086 0.000 0.290 90 I C 0.106 176.228 176.117 0.008 0.000 1.036 90 I CA -0.156 61.145 61.300 0.001 0.000 1.336 90 I CB 0.465 38.404 38.000 -0.102 0.000 1.407 90 I HN 0.375 nan 8.210 nan 0.000 0.497 91 R N 7.345 127.896 120.500 0.085 0.000 2.343 91 R HA 0.591 4.983 4.340 0.086 0.000 0.320 91 R C -0.308 176.076 176.300 0.141 0.000 0.956 91 R CA -0.721 55.417 56.100 0.064 0.000 0.836 91 R CB 2.031 32.360 30.300 0.048 0.000 1.151 91 R HN 0.514 nan 8.270 nan 0.000 0.450 92 L N 1.109 122.385 121.223 0.089 0.000 2.751 92 L HA 0.541 4.932 4.340 0.086 0.000 0.241 92 L C 0.816 177.755 176.870 0.116 0.000 1.146 92 L CA -1.148 53.756 54.840 0.107 0.000 0.879 92 L CB 0.273 42.358 42.059 0.045 0.000 1.687 92 L HN 0.546 nan 8.230 nan 0.000 0.527 93 A N 0.839 123.718 122.820 0.098 0.000 2.548 93 A HA 0.370 4.742 4.320 0.086 0.000 0.247 93 A C -0.262 177.368 177.584 0.077 0.000 1.067 93 A CA 0.290 52.378 52.037 0.085 0.000 0.757 93 A CB -0.298 18.743 19.000 0.068 0.000 0.996 93 A HN 0.660 nan 8.150 nan 0.000 0.504 94 Q N 1.302 121.156 119.800 0.090 0.000 2.829 94 Q HA 0.329 4.720 4.340 0.086 0.000 0.296 94 Q C -1.690 174.369 176.000 0.099 0.000 0.893 94 Q CA -1.074 54.788 55.803 0.097 0.000 0.772 94 Q CB 0.348 29.161 28.738 0.125 0.000 1.489 94 Q HN 0.441 nan 8.270 nan 0.000 0.420 95 D N 2.257 122.715 120.400 0.096 0.000 2.478 95 D HA 0.172 4.863 4.640 0.086 0.000 0.234 95 D C -2.226 174.147 176.300 0.123 0.000 1.154 95 D CA -0.160 53.890 54.000 0.084 0.000 0.874 95 D CB 0.330 41.190 40.800 0.100 0.000 1.198 95 D HN 0.218 nan 8.370 nan 0.000 0.455 96 P HA 0.158 nan 4.420 nan 0.000 0.269 96 P C -0.799 176.549 177.300 0.081 0.000 1.209 96 P CA -0.023 63.044 63.100 -0.055 0.000 0.776 96 P CB 0.290 31.923 31.700 -0.112 0.000 0.876 97 F N 0.509 120.465 119.950 0.011 0.000 2.588 97 F HA 0.783 5.361 4.527 0.085 0.000 0.310 97 F C -2.992 172.736 175.800 -0.120 0.000 1.082 97 F CA -3.367 54.620 58.000 -0.020 0.000 0.929 97 F CB 0.891 39.889 39.000 -0.003 0.000 1.254 97 F HN 0.101 nan 8.300 nan 0.000 0.455 98 P HA 0.344 nan 4.420 nan 0.000 0.279 98 P C -0.954 176.129 177.300 -0.361 0.000 1.252 98 P CA -0.362 62.354 63.100 -0.641 0.000 0.811 98 P CB 1.800 33.008 31.700 -0.821 0.000 1.035 99 L N 1.646 122.515 121.223 -0.590 0.000 2.334 99 L HA 0.343 4.735 4.340 0.086 0.000 0.277 99 L C 0.462 177.299 176.870 -0.055 0.000 1.075 99 L CA -0.765 54.031 54.840 -0.072 0.000 0.804 99 L CB 0.113 42.252 42.059 0.134 0.000 1.174 99 L HN 0.355 nan 8.230 nan 0.000 0.438 100 Y N 1.809 122.162 120.300 0.089 0.000 2.354 100 Y HA 0.268 4.869 4.550 0.086 0.000 0.322 100 Y C -1.824 174.072 175.900 -0.006 0.000 1.253 100 Y CA -2.135 56.009 58.100 0.073 0.000 1.272 100 Y CB 0.541 38.974 38.460 -0.046 0.000 1.255 100 Y HN 0.393 nan 8.280 nan 0.000 0.500 101 P HA -0.027 nan 4.420 nan 0.000 0.256 101 P C 0.562 177.849 177.300 -0.022 0.000 1.173 101 P CA 2.175 65.075 63.100 -0.333 0.000 0.768 101 P CB 0.035 31.570 31.700 -0.274 0.000 0.758 102 G N 2.523 111.359 108.800 0.059 0.000 2.279 102 G HA2 -0.212 3.800 3.960 0.086 0.000 0.223 102 G HA3 -0.212 3.800 3.960 0.086 0.000 0.223 102 G C 0.144 175.101 174.900 0.094 0.000 1.015 102 G CA -0.446 44.703 45.100 0.082 0.000 0.621 102 G HN 0.521 nan 8.290 nan 0.000 0.506 103 E N 0.643 120.911 120.200 0.113 0.000 2.392 103 E HA 0.512 4.914 4.350 0.086 0.000 0.264 103 E C 0.083 176.759 176.600 0.127 0.000 1.024 103 E CA 0.305 56.770 56.400 0.109 0.000 0.903 103 E CB 0.644 30.428 29.700 0.140 0.000 0.963 103 E HN 0.431 nan 8.360 nan 0.000 0.432 104 L N 2.705 123.985 121.223 0.094 0.000 2.371 104 L HA 0.346 4.737 4.340 0.086 0.000 0.262 104 L C -0.813 176.103 176.870 0.077 0.000 1.006 104 L CA -1.181 53.710 54.840 0.085 0.000 0.818 104 L CB 1.310 43.408 42.059 0.065 0.000 1.354 104 L HN 0.343 nan 8.230 nan 0.000 0.415 105 L N 2.249 123.512 121.223 0.066 0.000 2.302 105 L HA 0.196 4.587 4.340 0.086 0.000 0.285 105 L C 1.316 178.207 176.870 0.034 0.000 1.090 105 L CA 0.555 55.430 54.840 0.057 0.000 0.866 105 L CB 0.040 42.123 42.059 0.041 0.000 1.244 105 L HN 0.561 nan 8.230 nan 0.000 0.435 106 E N 2.760 122.983 120.200 0.038 0.000 2.031 106 E HA -0.150 4.251 4.350 0.086 0.000 0.193 106 E C 0.283 176.893 176.600 0.017 0.000 0.994 106 E CA 1.070 57.486 56.400 0.028 0.000 0.800 106 E CB 0.313 30.033 29.700 0.034 0.000 0.752 106 E HN 0.539 nan 8.360 nan 0.000 0.447 107 K N 1.039 121.447 120.400 0.015 0.000 2.471 107 K HA 0.116 4.488 4.320 0.086 0.000 0.252 107 K C -0.693 175.877 176.600 -0.051 0.000 0.938 107 K CA -0.637 55.639 56.287 -0.018 0.000 0.796 107 K CB 1.633 34.128 32.500 -0.008 0.000 1.161 107 K HN -0.220 nan 8.250 nan 0.000 0.425 108 D N 2.113 122.472 120.400 -0.068 0.000 2.380 108 D HA 0.117 4.808 4.640 0.086 0.000 0.254 108 D C 0.379 176.597 176.300 -0.137 0.000 1.288 108 D CA -0.395 53.556 54.000 -0.081 0.000 1.008 108 D CB 0.639 41.398 40.800 -0.069 0.000 1.099 108 D HN 0.409 nan 8.370 nan 0.000 0.537 109 I N 1.134 121.635 120.570 -0.115 0.000 2.742 109 I HA -0.000 4.221 4.170 0.086 0.000 0.287 109 I C 0.471 176.531 176.117 -0.094 0.000 1.186 109 I CA 0.970 62.203 61.300 -0.111 0.000 1.417 109 I CB -0.906 37.036 38.000 -0.096 0.000 1.377 109 I HN 0.129 nan 8.210 nan 0.000 0.556 110 T N 8.038 122.472 114.554 -0.199 0.000 2.952 110 T HA 0.397 4.799 4.350 0.086 0.000 0.305 110 T C -2.548 172.012 174.700 -0.232 0.000 1.064 110 T CA -1.151 60.795 62.100 -0.257 0.000 1.008 110 T CB 2.618 71.161 68.868 -0.542 0.000 1.078 110 T HN 0.338 nan 8.240 nan 0.000 0.459 111 P HA 0.282 nan 4.420 nan 0.000 0.275 111 P C -0.459 176.808 177.300 -0.056 0.000 1.228 111 P CA -0.522 62.269 63.100 -0.516 0.000 0.786 111 P CB 0.682 32.102 31.700 -0.467 0.000 0.927 112 L N 1.952 123.166 121.223 -0.016 0.000 2.426 112 L HA 0.114 4.506 4.340 0.086 0.000 0.271 112 L C 1.344 178.231 176.870 0.029 0.000 1.169 112 L CA -0.058 54.818 54.840 0.061 0.000 0.836 112 L CB -0.311 41.752 42.059 0.007 0.000 1.112 112 L HN 0.319 nan 8.230 nan 0.000 0.465 113 Q N 1.838 121.671 119.800 0.055 0.000 2.286 113 Q HA 0.195 4.587 4.340 0.086 0.000 0.267 113 Q C -0.863 175.185 176.000 0.079 0.000 1.028 113 Q CA -0.273 55.572 55.803 0.070 0.000 0.901 113 Q CB 1.303 30.101 28.738 0.100 0.000 1.183 113 Q HN 0.371 nan 8.270 nan 0.000 0.392 114 V N 4.191 124.145 119.914 0.066 0.000 2.383 114 V HA 0.164 4.335 4.120 0.086 0.000 0.275 114 V C -0.159 175.993 176.094 0.097 0.000 1.036 114 V CA -0.515 61.836 62.300 0.085 0.000 0.889 114 V CB 1.510 33.365 31.823 0.054 0.000 0.985 114 V HN 0.477 nan 8.190 nan 0.000 0.459 115 V N 7.703 127.707 119.914 0.149 0.000 2.383 115 V HA 0.434 4.606 4.120 0.086 0.000 0.275 115 V C 0.080 176.216 176.094 0.070 0.000 1.036 115 V CA -0.265 62.111 62.300 0.127 0.000 0.889 115 V CB 1.186 33.141 31.823 0.219 0.000 0.985 115 V HN 0.721 nan 8.190 nan 0.000 0.459 116 L N 9.041 130.286 121.223 0.037 0.000 2.436 116 L HA 0.326 4.717 4.340 0.086 0.000 0.265 116 L C -1.053 175.817 176.870 -0.001 0.000 1.168 116 L CA -1.483 53.368 54.840 0.017 0.000 0.815 116 L CB 0.437 42.503 42.059 0.012 0.000 1.109 116 L HN 0.446 nan 8.230 nan 0.000 0.462 117 P HA -0.254 nan 4.420 nan 0.000 0.222 117 P C 0.266 177.547 177.300 -0.030 0.000 1.147 117 P CA 1.685 64.775 63.100 -0.017 0.000 0.958 117 P CB 0.058 31.752 31.700 -0.010 0.000 0.788 118 N N -1.037 117.647 118.700 -0.026 0.000 2.671 118 N HA 0.098 4.890 4.740 0.086 0.000 0.303 118 N C 0.001 175.487 175.510 -0.041 0.000 1.351 118 N CA 0.297 53.326 53.050 -0.035 0.000 0.991 118 N CB -0.009 38.464 38.487 -0.023 0.000 1.307 118 N HN 0.314 nan 8.380 nan 0.000 0.512 119 T N -3.099 111.429 114.554 -0.044 0.000 2.864 119 T HA 0.870 5.272 4.350 0.086 0.000 0.299 119 T C -1.061 173.606 174.700 -0.055 0.000 1.166 119 T CA -0.854 61.221 62.100 -0.042 0.000 1.007 119 T CB 2.637 71.492 68.868 -0.021 0.000 1.219 119 T HN 0.020 nan 8.240 nan 0.000 0.506 120 A N 1.297 124.084 122.820 -0.054 0.000 2.572 120 A HA 0.741 5.112 4.320 0.086 0.000 0.295 120 A C -1.120 176.440 177.584 -0.040 0.000 1.072 120 A CA -1.038 50.965 52.037 -0.056 0.000 0.691 120 A CB 1.297 20.240 19.000 -0.096 0.000 1.291 120 A HN 0.962 nan 8.150 nan 0.000 0.404 121 L N 2.528 123.734 121.223 -0.029 0.000 2.290 121 L HA 0.273 4.665 4.340 0.086 0.000 0.284 121 L C 0.053 176.859 176.870 -0.106 0.000 1.078 121 L CA -0.694 54.089 54.840 -0.095 0.000 0.815 121 L CB 0.660 42.582 42.059 -0.229 0.000 1.162 121 L HN 0.795 nan 8.230 nan 0.000 0.435 122 H N 5.426 124.367 119.070 -0.215 0.000 2.934 122 H HA 0.349 4.964 4.556 0.097 0.000 0.273 122 H C -0.772 174.340 175.328 -0.359 0.000 1.121 122 H CA -0.192 55.705 56.048 -0.253 0.000 1.451 122 H CB 0.231 29.884 29.762 -0.183 0.000 1.469 122 H HN 0.419 nan 8.280 nan 0.000 0.476 123 L N 4.721 125.781 121.223 -0.271 0.000 2.344 123 L HA 0.457 4.848 4.340 0.086 0.000 0.272 123 L C 0.311 176.755 176.870 -0.711 0.000 1.035 123 L CA -0.711 53.734 54.840 -0.658 0.000 0.807 123 L CB 1.306 42.696 42.059 -1.117 0.000 1.237 123 L HN 0.440 nan 8.230 nan 0.000 0.442 124 K N 1.768 121.828 120.400 -0.566 0.000 2.535 124 K HA 0.561 4.932 4.320 0.086 0.000 0.250 124 K C -1.003 175.529 176.600 -0.114 0.000 0.948 124 K CA -0.624 55.463 56.287 -0.333 0.000 0.796 124 K CB 2.034 34.426 32.500 -0.179 0.000 1.216 124 K HN 0.693 nan 8.250 nan 0.000 0.432 125 A N 4.710 127.642 122.820 0.187 0.000 2.520 125 A HA 0.124 4.495 4.320 0.086 0.000 0.245 125 A C 0.884 178.601 177.584 0.222 0.000 1.072 125 A CA 0.085 52.383 52.037 0.434 0.000 0.761 125 A CB 0.021 19.427 19.000 0.678 0.000 1.004 125 A HN 0.889 nan 8.150 nan 0.000 0.499 126 L N 2.293 123.614 121.223 0.164 0.000 2.375 126 L HA 0.140 4.532 4.340 0.086 0.000 0.215 126 L C 0.362 177.303 176.870 0.118 0.000 1.108 126 L CA 0.271 55.168 54.840 0.095 0.000 0.830 126 L CB -0.333 41.751 42.059 0.042 0.000 0.959 126 L HN 0.744 nan 8.230 nan 0.000 0.457 127 L N -4.664 116.669 121.223 0.184 0.000 2.630 127 L HA 0.557 4.948 4.340 0.086 0.000 0.258 127 L C -1.419 175.621 176.870 0.283 0.000 1.072 127 L CA -0.907 54.043 54.840 0.183 0.000 0.885 127 L CB 0.529 42.665 42.059 0.129 0.000 1.502 127 L HN -0.264 nan 8.230 nan 0.000 0.406 128 D N 1.589 122.107 120.400 0.196 0.000 2.425 128 D HA 0.557 5.249 4.640 0.086 0.000 0.247 128 D C -0.369 176.085 176.300 0.256 0.000 1.147 128 D CA 0.983 55.078 54.000 0.159 0.000 0.879 128 D CB 0.383 41.233 40.800 0.083 0.000 1.179 128 D HN 0.515 nan 8.370 nan 0.000 0.456 129 F N -0.855 119.113 119.950 0.030 0.000 2.741 129 F HA 0.582 5.159 4.527 0.084 0.000 0.313 129 F C -0.816 174.981 175.800 -0.004 0.000 1.153 129 F CA -1.368 56.642 58.000 0.018 0.000 0.931 129 F CB 1.252 40.271 39.000 0.032 0.000 1.335 129 F HN 0.066 nan 8.300 nan 0.000 0.460 130 E N 1.078 121.353 120.200 0.126 0.000 2.214 130 E HA 0.376 4.777 4.350 0.086 0.000 0.274 130 E C -1.711 174.952 176.600 0.106 0.000 0.977 130 E CA -0.438 55.958 56.400 -0.008 0.000 0.827 130 E CB 1.422 31.140 29.700 0.031 0.000 1.130 130 E HN 0.657 nan 8.360 nan 0.000 0.394 131 D N 1.448 121.829 120.400 -0.032 0.000 2.326 131 D HA 0.222 4.914 4.640 0.086 0.000 0.251 131 D C 0.455 176.785 176.300 0.050 0.000 1.023 131 D CA -0.344 53.678 54.000 0.037 0.000 0.966 131 D CB 1.174 41.907 40.800 -0.112 0.000 1.156 131 D HN 0.364 nan 8.370 nan 0.000 0.494 132 K N 0.156 120.598 120.400 0.069 0.000 2.160 132 K HA -0.181 4.191 4.320 0.086 0.000 0.206 132 K C 0.923 177.531 176.600 0.013 0.000 1.047 132 K CA 1.476 57.787 56.287 0.040 0.000 0.930 132 K CB -0.086 32.443 32.500 0.048 0.000 0.720 132 K HN 0.344 nan 8.250 nan 0.000 0.450 133 N N -0.750 117.947 118.700 -0.006 0.000 2.467 133 N HA 0.048 4.840 4.740 0.086 0.000 0.184 133 N C 0.706 176.198 175.510 -0.031 0.000 1.106 133 N CA 0.856 53.893 53.050 -0.021 0.000 0.892 133 N CB 0.697 39.161 38.487 -0.038 0.000 0.969 133 N HN 0.270 nan 8.380 nan 0.000 0.454 134 G N 0.177 108.958 108.800 -0.032 0.000 2.149 134 G HA2 -0.257 3.755 3.960 0.086 0.000 0.235 134 G HA3 -0.257 3.755 3.960 0.086 0.000 0.235 134 G C -0.784 174.076 174.900 -0.066 0.000 1.018 134 G CA 0.013 45.090 45.100 -0.038 0.000 0.728 134 G HN 0.421 nan 8.290 nan 0.000 0.508 135 D N 0.232 120.573 120.400 -0.100 0.000 2.163 135 D HA 0.531 5.222 4.640 0.086 0.000 0.248 135 D C 0.380 176.552 176.300 -0.213 0.000 1.035 135 D CA -0.444 53.469 54.000 -0.144 0.000 0.872 135 D CB 0.640 41.341 40.800 -0.165 0.000 1.183 135 D HN 0.134 nan 8.370 nan 0.000 0.445 136 K N 1.757 122.038 120.400 -0.199 0.000 2.227 136 K HA 0.413 4.785 4.320 0.086 0.000 0.280 136 K C -0.891 175.522 176.600 -0.311 0.000 1.041 136 K CA -0.741 55.408 56.287 -0.230 0.000 0.905 136 K CB 1.722 34.142 32.500 -0.133 0.000 1.068 136 K HN 0.202 nan 8.250 nan 0.000 0.470 137 V N 4.277 123.909 119.914 -0.470 0.000 2.495 137 V HA 0.308 4.479 4.120 0.086 0.000 0.298 137 V C -0.281 175.682 176.094 -0.218 0.000 1.031 137 V CA -0.978 61.034 62.300 -0.480 0.000 0.871 137 V CB 1.603 32.830 31.823 -0.994 0.000 0.988 137 V HN 0.697 nan 8.190 nan 0.000 0.432 138 M N 2.832 122.396 119.600 -0.060 0.000 2.314 138 M HA 0.558 5.089 4.480 0.086 0.000 0.342 138 M C 1.241 177.615 176.300 0.124 0.000 1.171 138 M CA 0.025 55.346 55.300 0.036 0.000 1.098 138 M CB 1.349 33.974 32.600 0.041 0.000 1.559 138 M HN 0.790 nan 8.290 nan 0.000 0.459 139 A N 2.526 125.421 122.820 0.126 0.000 1.896 139 A HA -0.159 4.213 4.320 0.086 0.000 0.220 139 A C 1.689 179.370 177.584 0.162 0.000 1.206 139 A CA 2.414 54.543 52.037 0.152 0.000 0.647 139 A CB -1.622 17.444 19.000 0.109 0.000 0.828 139 A HN 0.985 nan 8.150 nan 0.000 0.455 140 G N -0.968 107.913 108.800 0.135 0.000 2.985 140 G HA2 0.230 4.241 3.960 0.086 0.000 0.209 140 G HA3 0.230 4.241 3.960 0.086 0.000 0.209 140 G C -0.266 174.738 174.900 0.172 0.000 1.165 140 G CA 0.200 45.377 45.100 0.129 0.000 0.776 140 G HN 0.396 nan 8.290 nan 0.000 0.541 141 D N 1.409 121.951 120.400 0.237 0.000 2.488 141 D HA 0.187 4.879 4.640 0.086 0.000 0.238 141 D C 0.400 176.952 176.300 0.421 0.000 1.138 141 D CA 0.772 54.970 54.000 0.330 0.000 0.873 141 D CB 0.806 41.815 40.800 0.348 0.000 1.183 141 D HN 0.305 nan 8.370 nan 0.000 0.458 142 E N 1.558 121.987 120.200 0.382 0.000 2.266 142 E HA 0.590 4.992 4.350 0.086 0.000 0.268 142 E C -0.587 176.216 176.600 0.340 0.000 0.879 142 E CA -0.915 55.621 56.400 0.226 0.000 0.762 142 E CB 2.228 32.027 29.700 0.165 0.000 1.199 142 E HN 0.535 nan 8.360 nan 0.000 0.422 143 W N 1.247 122.552 121.300 0.008 0.000 2.874 143 W HA 0.605 5.315 4.660 0.084 0.000 0.403 143 W C -2.114 174.368 176.519 -0.061 0.000 1.144 143 W CA -0.946 56.360 57.345 -0.065 0.000 1.175 143 W CB 0.506 29.969 29.460 0.005 0.000 1.483 143 W HN 0.276 nan 8.180 nan 0.000 0.591 144 L N 2.016 123.305 121.223 0.109 0.000 2.334 144 L HA 0.508 4.900 4.340 0.086 0.000 0.276 144 L C -0.983 175.996 176.870 0.182 0.000 1.014 144 L CA -1.014 53.823 54.840 -0.005 0.000 0.815 144 L CB 1.648 43.662 42.059 -0.075 0.000 1.268 144 L HN 0.450 nan 8.230 nan 0.000 0.428 145 F N 2.336 122.248 119.950 -0.063 0.000 2.350 145 F HA 0.291 4.870 4.527 0.086 0.000 0.365 145 F C 0.456 176.235 175.800 -0.035 0.000 1.122 145 F CA -0.460 57.533 58.000 -0.011 0.000 1.139 145 F CB 0.778 39.704 39.000 -0.124 0.000 1.220 145 F HN 0.418 nan 8.300 nan 0.000 0.499 146 E N 3.704 123.611 120.200 -0.488 0.000 2.259 146 E HA 0.398 4.799 4.350 0.086 0.000 0.281 146 E C 0.341 176.667 176.600 -0.457 0.000 1.037 146 E CA -0.164 56.022 56.400 -0.357 0.000 0.854 146 E CB 0.928 30.476 29.700 -0.253 0.000 1.051 146 E HN 0.808 nan 8.360 nan 0.000 0.409 147 G N 4.570 113.233 108.800 -0.228 0.000 2.527 147 G HA2 0.321 4.333 3.960 0.086 0.000 0.248 147 G HA3 0.321 4.333 3.960 0.086 0.000 0.248 147 G C -2.273 172.555 174.900 -0.120 0.000 1.231 147 G CA -0.906 44.113 45.100 -0.134 0.000 0.838 147 G HN 0.438 nan 8.290 nan 0.000 0.570 148 P HA 0.729 nan 4.420 nan 0.000 0.285 148 P C 0.150 177.462 177.300 0.020 0.000 1.280 148 P CA -0.124 62.967 63.100 -0.015 0.000 0.862 148 P CB 2.196 33.896 31.700 0.001 0.000 1.153 149 G N -0.498 108.368 108.800 0.110 0.000 2.369 149 G HA2 0.191 4.203 3.960 0.086 0.000 0.295 149 G HA3 0.191 4.203 3.960 0.086 0.000 0.295 149 G C -1.462 173.606 174.900 0.281 0.000 1.298 149 G CA -0.723 44.488 45.100 0.185 0.000 0.940 149 G HN 0.534 nan 8.290 nan 0.000 0.536 150 T N 0.615 115.316 114.554 0.246 0.000 2.799 150 T HA 0.502 4.903 4.350 0.086 0.000 0.286 150 T C -0.850 173.903 174.700 0.088 0.000 0.973 150 T CA 0.063 62.255 62.100 0.153 0.000 1.035 150 T CB 1.262 70.168 68.868 0.064 0.000 0.932 150 T HN 0.665 nan 8.240 nan 0.000 0.469 151 Y N 4.949 125.118 120.300 -0.219 0.000 2.341 151 Y HA 0.430 5.035 4.550 0.093 0.000 0.340 151 Y C -0.491 175.174 175.900 -0.391 0.000 0.997 151 Y CA -1.774 55.956 58.100 -0.617 0.000 1.149 151 Y CB 0.330 38.355 38.460 -0.726 0.000 1.171 151 Y HN 0.420 nan 8.280 nan 0.000 0.494 152 I N 9.421 129.455 120.570 -0.894 0.000 2.379 152 I HA 0.218 4.439 4.170 0.086 0.000 0.290 152 I C -2.198 173.173 176.117 -1.242 0.000 1.063 152 I CA -2.655 58.169 61.300 -0.793 0.000 1.351 152 I CB 0.344 38.062 38.000 -0.469 0.000 1.410 152 I HN 0.521 nan 8.210 nan 0.000 0.505 153 P HA 0.152 nan 4.420 nan 0.000 0.269 153 P C -0.944 176.028 177.300 -0.547 0.000 1.215 153 P CA -0.180 62.429 63.100 -0.819 0.000 0.780 153 P CB 0.497 31.701 31.700 -0.826 0.000 0.898 154 Q N 0.991 120.594 119.800 -0.328 0.000 2.337 154 Q HA 0.229 4.621 4.340 0.086 0.000 0.270 154 Q C 0.567 176.461 176.000 -0.177 0.000 1.043 154 Q CA -0.899 54.763 55.803 -0.235 0.000 0.794 154 Q CB 1.699 30.326 28.738 -0.185 0.000 1.281 154 Q HN 0.238 nan 8.270 nan 0.000 0.446 155 K N 0.303 120.599 120.400 -0.173 0.000 2.280 155 K HA -0.157 4.215 4.320 0.086 0.000 0.202 155 K C 0.568 177.084 176.600 -0.139 0.000 1.047 155 K CA 1.379 57.592 56.287 -0.124 0.000 0.942 155 K CB 0.054 32.497 32.500 -0.096 0.000 0.739 155 K HN 0.459 nan 8.250 nan 0.000 0.457 156 E N 0.446 120.493 120.200 -0.254 0.000 2.489 156 E HA 0.088 4.489 4.350 0.086 0.000 0.193 156 E C -0.615 175.900 176.600 -0.142 0.000 1.057 156 E CA 0.065 56.287 56.400 -0.296 0.000 0.866 156 E CB 0.494 29.704 29.700 -0.815 0.000 0.916 156 E HN 0.026 nan 8.360 nan 0.000 0.500 157 V N 0.993 120.855 119.914 -0.087 0.000 2.638 157 V HA 0.248 4.419 4.120 0.086 0.000 0.306 157 V C -0.458 175.622 176.094 -0.023 0.000 1.052 157 V CA -1.039 61.265 62.300 0.006 0.000 0.885 157 V CB 2.166 34.056 31.823 0.112 0.000 0.999 157 V HN 0.011 nan 8.190 nan 0.000 0.424 158 E N 2.634 122.795 120.200 -0.066 0.000 2.191 158 E HA 0.560 4.961 4.350 0.086 0.000 0.278 158 E C -1.282 175.221 176.600 -0.162 0.000 0.972 158 E CA -0.590 55.757 56.400 -0.089 0.000 0.804 158 E CB 2.065 31.711 29.700 -0.090 0.000 1.110 158 E HN 0.498 nan 8.360 nan 0.000 0.394 159 V N 5.761 125.594 119.914 -0.135 0.000 2.389 159 V HA 0.017 4.188 4.120 0.086 0.000 0.264 159 V C 1.163 177.145 176.094 -0.186 0.000 1.049 159 V CA -0.160 62.026 62.300 -0.188 0.000 0.932 159 V CB 1.003 32.740 31.823 -0.142 0.000 1.011 159 V HN 0.676 nan 8.190 nan 0.000 0.475 160 V N 4.144 123.891 119.914 -0.278 0.000 2.407 160 V HA 0.010 4.181 4.120 0.086 0.000 0.245 160 V C 0.766 176.743 176.094 -0.195 0.000 1.041 160 V CA 1.585 63.699 62.300 -0.311 0.000 1.040 160 V CB -0.587 30.845 31.823 -0.651 0.000 0.671 160 V HN 1.084 nan 8.190 nan 0.000 0.455 161 E N -1.231 118.882 120.200 -0.144 0.000 2.409 161 E HA 0.451 4.852 4.350 0.086 0.000 0.280 161 E C -1.560 175.021 176.600 -0.030 0.000 1.079 161 E CA -0.891 55.472 56.400 -0.062 0.000 0.840 161 E CB 1.263 30.946 29.700 -0.028 0.000 1.309 161 E HN 0.127 nan 8.360 nan 0.000 0.447 162 I N 1.665 122.221 120.570 -0.024 0.000 2.365 162 I HA 0.354 4.575 4.170 0.086 0.000 0.291 162 I C -0.149 175.960 176.117 -0.013 0.000 1.004 162 I CA -0.743 60.545 61.300 -0.020 0.000 1.311 162 I CB 0.808 38.797 38.000 -0.018 0.000 1.401 162 I HN 0.368 nan 8.210 nan 0.000 0.491 163 I N 5.869 126.425 120.570 -0.023 0.000 2.392 163 I HA 0.247 4.468 4.170 0.086 0.000 0.295 163 I C -0.258 175.836 176.117 -0.039 0.000 0.985 163 I CA -0.664 60.615 61.300 -0.035 0.000 1.221 163 I CB 1.228 39.188 38.000 -0.066 0.000 1.366 163 I HN 0.471 nan 8.210 nan 0.000 0.467 164 Q N 5.001 124.781 119.800 -0.032 0.000 2.322 164 Q HA 0.523 4.915 4.340 0.086 0.000 0.265 164 Q C -0.310 175.672 176.000 -0.031 0.000 0.985 164 Q CA -0.760 55.025 55.803 -0.029 0.000 0.849 164 Q CB 2.140 30.868 28.738 -0.017 0.000 1.274 164 Q HN 0.758 nan 8.270 nan 0.000 0.449 165 A N 2.508 125.305 122.820 -0.038 0.000 2.555 165 A HA 0.153 4.524 4.320 0.086 0.000 0.233 165 A C 0.072 177.660 177.584 0.007 0.000 1.060 165 A CA 0.428 52.448 52.037 -0.030 0.000 0.759 165 A CB 0.080 19.058 19.000 -0.036 0.000 0.995 165 A HN 0.590 nan 8.150 nan 0.000 0.506 166 T N 2.238 116.819 114.554 0.045 0.000 2.767 166 T HA 0.425 4.826 4.350 0.086 0.000 0.284 166 T C -0.053 174.684 174.700 0.061 0.000 0.973 166 T CA -0.304 61.826 62.100 0.050 0.000 0.996 166 T CB 0.864 69.769 68.868 0.061 0.000 0.927 166 T HN 0.442 nan 8.240 nan 0.000 0.456 167 V N 5.926 125.860 119.914 0.034 0.000 2.455 167 V HA 0.293 4.465 4.120 0.086 0.000 0.273 167 V C 0.266 176.375 176.094 0.025 0.000 1.045 167 V CA -0.332 61.987 62.300 0.031 0.000 0.976 167 V CB 0.214 32.047 31.823 0.017 0.000 0.993 167 V HN 0.737 nan 8.190 nan 0.000 0.475 168 I N 5.753 126.342 120.570 0.031 0.000 2.321 168 I HA 0.404 4.626 4.170 0.086 0.000 0.291 168 I C 0.375 176.497 176.117 0.009 0.000 0.998 168 I CA -0.400 60.906 61.300 0.010 0.000 1.227 168 I CB 1.180 39.181 38.000 0.001 0.000 1.368 168 I HN 0.544 nan 8.210 nan 0.000 0.466 169 K N 3.661 124.061 120.400 0.000 0.000 2.148 169 K HA 0.360 4.732 4.320 0.086 0.000 0.239 169 K C -0.231 176.368 176.600 -0.001 0.000 1.018 169 K CA -0.798 55.489 56.287 0.002 0.000 0.923 169 K CB 0.579 33.078 32.500 -0.000 0.000 1.117 169 K HN 0.354 nan 8.250 nan 0.000 0.477 170 Q N 1.382 121.183 119.800 0.002 0.000 2.395 170 Q HA -0.015 4.377 4.340 0.086 0.000 0.271 170 Q C -0.667 175.332 176.000 -0.002 0.000 1.026 170 Q CA 0.820 56.624 55.803 0.003 0.000 0.900 170 Q CB 0.233 28.975 28.738 0.006 0.000 1.266 170 Q HN 0.514 nan 8.270 nan 0.000 0.430 171 N N 1.901 120.599 118.700 -0.003 0.000 2.754 171 N HA -0.207 4.585 4.740 0.086 0.000 0.248 171 N C -1.278 174.222 175.510 -0.017 0.000 1.093 171 N CA 1.083 54.129 53.050 -0.007 0.000 0.699 171 N CB -0.814 37.673 38.487 0.001 0.000 1.016 171 N HN 0.658 nan 8.380 nan 0.000 0.552 172 Q N -0.937 118.849 119.800 -0.023 0.000 2.456 172 Q HA 0.847 5.238 4.340 0.086 0.000 0.283 172 Q C -0.925 175.046 176.000 -0.048 0.000 1.084 172 Q CA -0.710 55.072 55.803 -0.035 0.000 0.801 172 Q CB 2.646 31.366 28.738 -0.030 0.000 1.434 172 Q HN 0.260 nan 8.270 nan 0.000 0.419 173 A N 1.034 123.814 122.820 -0.067 0.000 2.515 173 A HA 0.746 5.117 4.320 0.086 0.000 0.296 173 A C -1.969 175.544 177.584 -0.118 0.000 1.094 173 A CA -0.536 51.447 52.037 -0.091 0.000 0.718 173 A CB 1.480 20.424 19.000 -0.093 0.000 1.307 173 A HN 0.497 nan 8.150 nan 0.000 0.408 174 L N 0.810 121.934 121.223 -0.165 0.000 2.295 174 L HA 0.632 5.024 4.340 0.086 0.000 0.285 174 L C 0.321 177.025 176.870 -0.277 0.000 1.035 174 L CA -0.293 54.427 54.840 -0.200 0.000 0.806 174 L CB 1.231 43.162 42.059 -0.214 0.000 1.214 174 L HN 0.745 nan 8.230 nan 0.000 0.426 175 R N 5.168 125.514 120.500 -0.257 0.000 2.221 175 R HA 0.607 4.998 4.340 0.086 0.000 0.327 175 R C -1.399 174.655 176.300 -0.409 0.000 1.033 175 R CA -0.402 55.506 56.100 -0.319 0.000 0.887 175 R CB 0.436 30.599 30.300 -0.229 0.000 1.057 175 R HN 0.758 nan 8.270 nan 0.000 0.455 176 L N 3.569 124.378 121.223 -0.689 0.000 2.322 176 L HA 0.627 5.019 4.340 0.086 0.000 0.269 176 L C -0.116 176.308 176.870 -0.743 0.000 1.012 176 L CA -1.097 53.259 54.840 -0.807 0.000 0.815 176 L CB 1.984 43.284 42.059 -1.265 0.000 1.295 176 L HN 0.555 nan 8.230 nan 0.000 0.438 177 R N 0.971 121.214 120.500 -0.428 0.000 2.621 177 R HA 0.702 5.093 4.340 0.086 0.000 0.292 177 R C -0.964 175.355 176.300 0.032 0.000 0.969 177 R CA -0.483 55.526 56.100 -0.152 0.000 0.887 177 R CB 1.920 32.179 30.300 -0.069 0.000 1.180 177 R HN 0.745 nan 8.270 nan 0.000 0.450 178 A N 3.832 126.805 122.820 0.255 0.000 2.404 178 A HA 0.231 4.603 4.320 0.086 0.000 0.273 178 A C 0.585 178.267 177.584 0.164 0.000 1.144 178 A CA -0.308 51.905 52.037 0.294 0.000 0.806 178 A CB 0.439 19.605 19.000 0.277 0.000 1.080 178 A HN 0.987 nan 8.150 nan 0.000 0.509 179 R N 0.897 121.504 120.500 0.178 0.000 2.189 179 R HA -0.024 4.367 4.340 0.086 0.000 0.218 179 R C 0.565 176.938 176.300 0.122 0.000 1.074 179 R CA 1.581 57.765 56.100 0.140 0.000 0.991 179 R CB -0.046 30.348 30.300 0.156 0.000 0.883 179 R HN 0.882 nan 8.270 nan 0.000 0.457 180 K N -0.716 119.754 120.400 0.116 0.000 2.614 180 K HA 0.228 4.600 4.320 0.086 0.000 0.293 180 K C -1.470 175.111 176.600 -0.033 0.000 1.045 180 K CA -0.900 55.424 56.287 0.061 0.000 0.880 180 K CB 0.947 33.513 32.500 0.109 0.000 1.552 180 K HN -0.357 nan 8.250 nan 0.000 0.404 181 E N 0.792 120.945 120.200 -0.078 0.000 2.417 181 E HA 0.179 4.580 4.350 0.086 0.000 0.261 181 E C -0.212 176.186 176.600 -0.336 0.000 1.000 181 E CA 0.122 56.404 56.400 -0.196 0.000 0.919 181 E CB 0.218 29.817 29.700 -0.170 0.000 0.955 181 E HN 0.737 nan 8.360 nan 0.000 0.455 182 C N 0.963 119.938 119.300 -0.541 0.000 3.292 182 C HA 0.737 5.249 4.460 0.086 0.000 0.369 182 C C -1.179 173.254 174.990 -0.928 0.000 1.664 182 C CA -1.232 57.325 59.018 -0.768 0.000 1.204 182 C CB 0.518 27.497 27.740 -1.269 0.000 1.978 182 C HN 0.513 nan 8.230 nan 0.000 0.435 183 F N 1.615 121.320 119.950 -0.409 0.000 2.520 183 F HA 0.534 5.111 4.527 0.083 0.000 0.322 183 F C 0.399 176.081 175.800 -0.196 0.000 1.103 183 F CA -0.130 57.717 58.000 -0.254 0.000 0.926 183 F CB 1.299 40.212 39.000 -0.145 0.000 1.154 183 F HN 0.835 nan 8.300 nan 0.000 0.453 184 D N 1.089 121.470 120.400 -0.031 0.000 2.414 184 D HA 0.181 4.872 4.640 0.086 0.000 0.259 184 D C 1.266 177.670 176.300 0.174 0.000 1.269 184 D CA -0.426 53.623 54.000 0.083 0.000 1.028 184 D CB 0.567 41.327 40.800 -0.068 0.000 1.093 184 D HN 0.382 nan 8.370 nan 0.000 0.545 185 R N -0.749 119.900 120.500 0.248 0.000 2.119 185 R HA -0.141 4.251 4.340 0.086 0.000 0.246 185 R C 1.069 177.447 176.300 0.130 0.000 1.146 185 R CA 2.052 58.276 56.100 0.207 0.000 0.962 185 R CB -0.434 30.020 30.300 0.258 0.000 0.863 185 R HN 0.497 nan 8.270 nan 0.000 0.442 186 D N -1.612 118.852 120.400 0.107 0.000 2.363 186 D HA 0.116 4.807 4.640 0.086 0.000 0.226 186 D C 0.938 177.262 176.300 0.039 0.000 1.020 186 D CA 1.076 55.113 54.000 0.063 0.000 0.892 186 D CB 0.300 41.130 40.800 0.050 0.000 0.900 186 D HN 0.448 nan 8.370 nan 0.000 0.531 187 G N 0.723 109.557 108.800 0.057 0.000 2.143 187 G HA2 -0.322 3.689 3.960 0.086 0.000 0.249 187 G HA3 -0.322 3.689 3.960 0.086 0.000 0.249 187 G C 0.300 175.272 174.900 0.121 0.000 0.981 187 G CA -0.141 44.990 45.100 0.052 0.000 0.665 187 G HN 0.317 nan 8.290 nan 0.000 0.528 188 K N 0.710 121.145 120.400 0.059 0.000 2.298 188 K HA 0.354 4.725 4.320 0.086 0.000 0.280 188 K C 0.576 177.160 176.600 -0.027 0.000 1.032 188 K CA -0.339 55.953 56.287 0.008 0.000 0.958 188 K CB 0.886 33.322 32.500 -0.107 0.000 0.978 188 K HN 0.397 nan 8.250 nan 0.000 0.472 189 E N 2.825 122.996 120.200 -0.048 0.000 2.384 189 E HA -0.016 4.385 4.350 0.086 0.000 0.266 189 E C -0.660 175.699 176.600 -0.402 0.000 1.012 189 E CA -0.160 56.036 56.400 -0.342 0.000 0.901 189 E CB 0.570 30.111 29.700 -0.265 0.000 0.967 189 E HN 0.233 nan 8.360 nan 0.000 0.435 190 R N 3.001 123.191 120.500 -0.515 0.000 2.561 190 R HA 0.293 4.684 4.340 0.086 0.000 0.297 190 R C -0.653 175.466 176.300 -0.302 0.000 0.969 190 R CA -0.784 55.057 56.100 -0.431 0.000 0.879 190 R CB 1.351 31.273 30.300 -0.629 0.000 1.178 190 R HN 0.468 nan 8.270 nan 0.000 0.445 191 V N -0.950 118.864 119.914 -0.167 0.000 2.973 191 V HA 0.512 4.684 4.120 0.086 0.000 0.314 191 V C 0.470 176.544 176.094 -0.033 0.000 1.066 191 V CA -0.729 61.504 62.300 -0.111 0.000 1.021 191 V CB 1.427 33.204 31.823 -0.076 0.000 1.076 191 V HN 0.676 nan 8.190 nan 0.000 0.462 192 T N 2.702 117.244 114.554 -0.020 0.000 2.866 192 T HA 0.404 4.805 4.350 0.086 0.000 0.293 192 T C 1.354 176.080 174.700 0.044 0.000 1.005 192 T CA 1.206 63.319 62.100 0.022 0.000 1.162 192 T CB 0.076 68.954 68.868 0.016 0.000 0.968 192 T HN 2.097 nan 8.240 nan 0.000 0.530 193 G N 2.649 111.491 108.800 0.070 0.000 2.205 193 G HA2 -0.278 3.734 3.960 0.086 0.000 0.261 193 G HA3 -0.278 3.734 3.960 0.086 0.000 0.261 193 G C 0.057 175.008 174.900 0.085 0.000 0.980 193 G CA 0.354 45.492 45.100 0.063 0.000 0.632 193 G HN 0.904 nan 8.290 nan 0.000 0.533 194 E N 1.206 121.478 120.200 0.122 0.000 2.413 194 E HA 0.393 4.794 4.350 0.086 0.000 0.263 194 E C 0.127 176.898 176.600 0.284 0.000 1.015 194 E CA 0.122 56.627 56.400 0.175 0.000 0.916 194 E CB 0.238 30.028 29.700 0.151 0.000 0.947 194 E HN 0.557 nan 8.360 nan 0.000 0.440 195 E N 3.599 123.936 120.200 0.229 0.000 2.227 195 E HA 0.512 4.913 4.350 0.086 0.000 0.268 195 E C -1.097 175.660 176.600 0.262 0.000 0.907 195 E CA -0.748 55.737 56.400 0.142 0.000 0.786 195 E CB 1.267 30.938 29.700 -0.048 0.000 1.191 195 E HN 0.574 nan 8.360 nan 0.000 0.411 196 W N 0.806 122.040 121.300 -0.110 0.000 2.923 196 W HA 0.599 5.369 4.660 0.184 0.000 0.373 196 W C -2.338 174.098 176.519 -0.138 0.000 1.205 196 W CA -0.965 56.302 57.345 -0.129 0.000 1.180 196 W CB 0.411 29.855 29.460 -0.027 0.000 1.477 196 W HN 0.262 nan 8.180 nan 0.000 0.581 197 L N 2.305 123.533 121.223 0.008 0.000 2.341 197 L HA 0.623 5.015 4.340 0.086 0.000 0.278 197 L C -0.378 176.472 176.870 -0.032 0.000 1.005 197 L CA -1.138 53.631 54.840 -0.118 0.000 0.818 197 L CB 1.800 43.812 42.059 -0.078 0.000 1.259 197 L HN 0.411 nan 8.230 nan 0.000 0.418 198 V N 5.085 124.875 119.914 -0.207 0.000 2.432 198 V HA 0.391 4.562 4.120 0.086 0.000 0.275 198 V C 0.978 176.990 176.094 -0.137 0.000 1.043 198 V CA -0.396 61.780 62.300 -0.207 0.000 0.925 198 V CB 1.153 32.620 31.823 -0.593 0.000 0.985 198 V HN 0.686 nan 8.190 nan 0.000 0.466 199 R N 1.594 122.060 120.500 -0.057 0.000 2.437 199 R HA 0.142 4.534 4.340 0.086 0.000 0.257 199 R C 0.679 176.973 176.300 -0.009 0.000 0.927 199 R CA -0.026 56.056 56.100 -0.030 0.000 1.078 199 R CB 0.590 30.888 30.300 -0.004 0.000 1.161 199 R HN 0.756 nan 8.270 nan 0.000 0.529 200 S N 0.545 116.246 115.700 0.003 0.000 2.531 200 S HA 0.233 4.754 4.470 0.086 0.000 0.279 200 S C 0.474 175.094 174.600 0.034 0.000 1.305 200 S CA -0.754 57.467 58.200 0.035 0.000 1.058 200 S CB 1.667 64.912 63.200 0.075 0.000 0.899 200 S HN -0.146 nan 8.310 nan 0.000 0.493 201 V N 3.690 123.623 119.914 0.032 0.000 2.649 201 V HA 0.754 4.925 4.120 0.086 0.000 0.292 201 V C 1.058 177.177 176.094 0.042 0.000 1.055 201 V CA 0.937 63.255 62.300 0.029 0.000 1.023 201 V CB 0.256 32.092 31.823 0.020 0.000 0.992 201 V HN 1.459 nan 8.190 nan 0.000 0.480 202 G N 3.219 112.045 108.800 0.043 0.000 2.343 202 G HA2 0.397 4.409 3.960 0.086 0.000 0.465 202 G HA3 0.397 4.409 3.960 0.086 0.000 0.465 202 G C -0.472 174.466 174.900 0.063 0.000 1.282 202 G CA -0.396 44.733 45.100 0.047 0.000 0.996 202 G HN 1.318 nan 8.290 nan 0.000 0.521 203 A N -0.437 122.415 122.820 0.052 0.000 2.454 203 A HA 0.567 4.939 4.320 0.086 0.000 0.260 203 A C -0.452 177.188 177.584 0.092 0.000 1.106 203 A CA 0.188 52.258 52.037 0.054 0.000 0.780 203 A CB 0.162 19.172 19.000 0.016 0.000 1.044 203 A HN 1.829 nan 8.150 nan 0.000 0.498 204 Y N 3.156 123.452 120.300 -0.006 0.000 2.335 204 Y HA 0.494 4.982 4.550 -0.102 0.000 0.339 204 Y C -0.642 175.253 175.900 -0.008 0.000 0.987 204 Y CA -1.101 56.998 58.100 -0.000 0.000 1.140 204 Y CB 1.242 39.702 38.460 -0.001 0.000 1.173 204 Y HN 0.561 nan 8.280 nan 0.000 0.486 205 L N 10.399 131.275 121.223 -0.577 0.000 2.255 205 L HA 0.534 4.926 4.340 0.086 0.000 0.289 205 L C -2.424 174.052 176.870 -0.657 0.000 1.046 205 L CA -2.551 52.023 54.840 -0.444 0.000 0.816 205 L CB 0.541 42.426 42.059 -0.289 0.000 1.197 205 L HN 0.483 nan 8.230 nan 0.000 0.427 206 P HA 0.225 nan 4.420 nan 0.000 0.275 206 P C -0.674 176.550 177.300 -0.127 0.000 1.227 206 P CA -0.440 62.574 63.100 -0.143 0.000 0.781 206 P CB 1.006 32.734 31.700 0.047 0.000 0.906 207 A N 2.746 125.569 122.820 0.004 0.000 2.366 207 A HA 0.164 4.536 4.320 0.086 0.000 0.250 207 A C 1.718 179.135 177.584 -0.278 0.000 1.099 207 A CA 0.145 52.131 52.037 -0.086 0.000 0.794 207 A CB -0.454 18.662 19.000 0.193 0.000 1.056 207 A HN 0.474 nan 8.150 nan 0.000 0.499 208 V N -2.392 117.120 119.914 -0.670 0.000 2.490 208 V HA -0.176 3.996 4.120 0.086 0.000 0.250 208 V C 1.511 177.362 176.094 -0.405 0.000 1.061 208 V CA 2.226 64.123 62.300 -0.672 0.000 1.064 208 V CB -1.476 29.913 31.823 -0.723 0.000 0.670 208 V HN 0.834 nan 8.190 nan 0.000 0.461 209 F N 0.628 120.592 119.950 0.023 0.000 2.765 209 F HA 0.506 5.072 4.527 0.065 0.000 0.302 209 F C 0.814 176.676 175.800 0.102 0.000 1.111 209 F CA -1.538 56.503 58.000 0.069 0.000 1.359 209 F CB -1.169 37.887 39.000 0.094 0.000 1.097 209 F HN 0.181 nan 8.300 nan 0.000 0.577 210 E N 2.297 122.721 120.200 0.374 0.000 2.046 210 E HA 0.101 4.502 4.350 0.086 0.000 0.279 210 E C -0.365 176.289 176.600 0.089 0.000 0.989 210 E CA -0.256 56.304 56.400 0.266 0.000 0.798 210 E CB 0.750 30.650 29.700 0.333 0.000 1.086 210 E HN 0.310 nan 8.360 nan 0.000 0.399 211 E N 3.295 123.517 120.200 0.037 0.000 2.257 211 E HA 0.098 4.500 4.350 0.086 0.000 0.278 211 E C -0.726 175.831 176.600 -0.070 0.000 1.049 211 E CA -0.476 55.918 56.400 -0.010 0.000 0.876 211 E CB 0.835 30.532 29.700 -0.004 0.000 1.035 211 E HN 0.168 nan 8.360 nan 0.000 0.419 212 V N 7.118 127.002 119.914 -0.050 0.000 2.427 212 V HA 0.096 4.267 4.120 0.086 0.000 0.268 212 V C 0.769 176.814 176.094 -0.081 0.000 1.046 212 V CA 0.102 62.362 62.300 -0.068 0.000 0.970 212 V CB 0.430 32.239 31.823 -0.022 0.000 1.001 212 V HN 0.692 nan 8.190 nan 0.000 0.476 213 L N 3.441 124.592 121.223 -0.120 0.000 2.793 213 L HA 0.521 4.912 4.340 0.086 0.000 0.188 213 L C 0.170 176.982 176.870 -0.096 0.000 1.949 213 L CA -0.978 53.798 54.840 -0.107 0.000 2.556 213 L CB 0.361 42.341 42.059 -0.131 0.000 2.898 213 L HN 0.667 nan 8.230 nan 0.000 0.621 214 D N 0.091 120.432 120.400 -0.099 0.000 2.341 214 D HA 0.366 5.057 4.640 0.086 0.000 0.245 214 D C -0.531 175.712 176.300 -0.095 0.000 1.106 214 D CA -0.341 53.608 54.000 -0.084 0.000 0.905 214 D CB 0.610 41.363 40.800 -0.078 0.000 1.202 214 D HN 0.145 nan 8.370 nan 0.000 0.426 215 L N 1.234 122.412 121.223 -0.075 0.000 2.380 215 L HA 0.294 4.686 4.340 0.086 0.000 0.273 215 L C -0.356 176.471 176.870 -0.071 0.000 1.138 215 L CA -0.719 54.077 54.840 -0.073 0.000 0.832 215 L CB 0.956 42.983 42.059 -0.052 0.000 1.124 215 L HN 0.303 nan 8.230 nan 0.000 0.454 216 V N 2.284 122.151 119.914 -0.078 0.000 2.417 216 V HA 0.272 4.444 4.120 0.086 0.000 0.291 216 V C -0.346 175.715 176.094 -0.056 0.000 1.024 216 V CA -0.913 61.344 62.300 -0.071 0.000 0.861 216 V CB 1.722 33.492 31.823 -0.088 0.000 0.985 216 V HN 0.599 nan 8.190 nan 0.000 0.436 217 D N 3.146 123.521 120.400 -0.042 0.000 2.255 217 D HA 0.495 5.187 4.640 0.086 0.000 0.249 217 D C 0.356 176.642 176.300 -0.023 0.000 1.078 217 D CA 0.041 54.023 54.000 -0.030 0.000 0.896 217 D CB 2.091 42.877 40.800 -0.022 0.000 1.194 217 D HN 0.723 nan 8.370 nan 0.000 0.429 218 A N 1.820 124.630 122.820 -0.017 0.000 2.498 218 A HA 0.226 4.597 4.320 0.086 0.000 0.239 218 A C 0.162 177.756 177.584 0.017 0.000 1.068 218 A CA -0.348 51.688 52.037 -0.001 0.000 0.766 218 A CB 0.378 19.380 19.000 0.003 0.000 1.003 218 A HN 0.376 nan 8.150 nan 0.000 0.497 219 V N 4.460 124.400 119.914 0.045 0.000 2.432 219 V HA 0.141 4.312 4.120 0.086 0.000 0.271 219 V C 0.127 176.252 176.094 0.051 0.000 1.046 219 V CA -0.464 61.862 62.300 0.043 0.000 0.945 219 V CB 0.717 32.570 31.823 0.050 0.000 0.992 219 V HN 0.605 nan 8.190 nan 0.000 0.471 220 I N 6.485 127.075 120.570 0.033 0.000 2.416 220 I HA 0.310 4.531 4.170 0.086 0.000 0.288 220 I C 0.086 176.222 176.117 0.031 0.000 1.051 220 I CA -0.056 61.264 61.300 0.034 0.000 1.375 220 I CB 0.775 38.790 38.000 0.025 0.000 1.407 220 I HN 0.407 nan 8.210 nan 0.000 0.516 221 L N 6.428 127.673 121.223 0.037 0.000 2.322 221 L HA 0.544 4.936 4.340 0.086 0.000 0.279 221 L C 0.724 177.618 176.870 0.041 0.000 1.036 221 L CA -0.414 54.443 54.840 0.028 0.000 0.807 221 L CB 1.776 43.844 42.059 0.015 0.000 1.226 221 L HN 0.710 nan 8.230 nan 0.000 0.433 222 T N -3.168 111.418 114.554 0.053 0.000 2.905 222 T HA 0.224 4.626 4.350 0.086 0.000 0.283 222 T C 0.791 175.556 174.700 0.108 0.000 1.031 222 T CA -0.691 61.449 62.100 0.067 0.000 1.002 222 T CB 1.409 70.311 68.868 0.056 0.000 1.200 222 T HN 0.709 nan 8.240 nan 0.000 0.560 223 E N 0.312 120.572 120.200 0.100 0.000 2.338 223 E HA -0.123 4.279 4.350 0.086 0.000 0.197 223 E C 1.132 177.832 176.600 0.166 0.000 1.007 223 E CA 0.940 57.416 56.400 0.127 0.000 0.849 223 E CB -0.159 29.582 29.700 0.068 0.000 0.774 223 E HN 0.674 nan 8.360 nan 0.000 0.506 224 K N 0.860 121.347 120.400 0.145 0.000 2.358 224 K HA 0.082 4.454 4.320 0.086 0.000 0.197 224 K C 0.117 176.880 176.600 0.272 0.000 1.025 224 K CA 0.526 56.884 56.287 0.119 0.000 1.104 224 K CB 0.952 33.474 32.500 0.037 0.000 0.855 224 K HN 0.214 nan 8.250 nan 0.000 0.531 225 T N -2.016 112.739 114.554 0.335 0.000 2.900 225 T HA 0.757 5.158 4.350 0.086 0.000 0.295 225 T C -0.891 173.731 174.700 -0.130 0.000 1.044 225 T CA -1.046 61.177 62.100 0.204 0.000 0.995 225 T CB 2.262 71.171 68.868 0.067 0.000 1.072 225 T HN -0.016 nan 8.240 nan 0.000 0.473 226 A N 2.115 124.673 122.820 -0.437 0.000 2.401 226 A HA 0.787 5.158 4.320 0.086 0.000 0.310 226 A C -1.061 176.343 177.584 -0.300 0.000 1.075 226 A CA -0.910 50.745 52.037 -0.636 0.000 0.746 226 A CB 1.516 19.777 19.000 -1.231 0.000 1.277 226 A HN 0.946 nan 8.150 nan 0.000 0.425 227 L N 2.133 123.211 121.223 -0.241 0.000 2.260 227 L HA 0.423 4.814 4.340 0.086 0.000 0.289 227 L C -0.320 176.436 176.870 -0.190 0.000 1.057 227 L CA -0.087 54.648 54.840 -0.175 0.000 0.811 227 L CB 0.461 42.422 42.059 -0.164 0.000 1.184 227 L HN 0.760 nan 8.230 nan 0.000 0.429 228 H N 5.829 124.736 119.070 -0.272 0.000 2.705 228 H HA 0.485 5.093 4.556 0.087 0.000 0.291 228 H C -1.159 173.924 175.328 -0.407 0.000 1.085 228 H CA -0.306 55.551 56.048 -0.317 0.000 1.357 228 H CB 0.170 29.810 29.762 -0.204 0.000 1.419 228 H HN 0.612 nan 8.280 nan 0.000 0.462 229 L N 4.601 125.444 121.223 -0.634 0.000 2.322 229 L HA 0.596 4.987 4.340 0.086 0.000 0.269 229 L C 0.200 176.468 176.870 -1.004 0.000 1.012 229 L CA -1.037 53.270 54.840 -0.887 0.000 0.815 229 L CB 1.976 43.355 42.059 -1.132 0.000 1.295 229 L HN 0.440 nan 8.230 nan 0.000 0.438 230 R N 1.067 121.170 120.500 -0.663 0.000 2.621 230 R HA 0.679 5.070 4.340 0.086 0.000 0.292 230 R C -0.943 175.312 176.300 -0.075 0.000 0.969 230 R CA -0.627 55.273 56.100 -0.332 0.000 0.887 230 R CB 1.992 32.170 30.300 -0.203 0.000 1.180 230 R HN 0.768 nan 8.270 nan 0.000 0.450 231 A N 3.790 126.793 122.820 0.305 0.000 2.454 231 A HA 0.178 4.550 4.320 0.086 0.000 0.260 231 A C 0.706 178.412 177.584 0.203 0.000 1.106 231 A CA -0.146 52.171 52.037 0.466 0.000 0.780 231 A CB 0.371 19.776 19.000 0.677 0.000 1.044 231 A HN 0.973 nan 8.150 nan 0.000 0.498 232 R N 0.443 121.004 120.500 0.102 0.000 2.153 232 R HA -0.020 4.371 4.340 0.086 0.000 0.218 232 R C 0.525 176.880 176.300 0.092 0.000 1.072 232 R CA 1.530 57.664 56.100 0.057 0.000 0.990 232 R CB 0.021 30.322 30.300 0.002 0.000 0.889 232 R HN 0.976 nan 8.270 nan 0.000 0.452 233 Q N -1.005 118.874 119.800 0.133 0.000 2.685 233 Q HA 0.278 4.670 4.340 0.086 0.000 0.301 233 Q C -1.587 174.557 176.000 0.239 0.000 0.924 233 Q CA -1.159 54.733 55.803 0.148 0.000 0.755 233 Q CB 0.577 29.390 28.738 0.126 0.000 1.470 233 Q HN -0.212 nan 8.270 nan 0.000 0.434 234 N N 0.930 119.741 118.700 0.184 0.000 2.497 234 N HA 0.507 5.298 4.740 0.086 0.000 0.268 234 N C -1.025 174.624 175.510 0.230 0.000 1.171 234 N CA 0.166 53.337 53.050 0.201 0.000 0.948 234 N CB 0.103 38.637 38.487 0.078 0.000 1.069 234 N HN 0.596 nan 8.380 nan 0.000 0.460 235 F N -1.811 118.077 119.950 -0.104 0.000 2.741 235 F HA 0.582 5.162 4.527 0.088 0.000 0.313 235 F C -0.885 174.827 175.800 -0.147 0.000 1.153 235 F CA -1.418 56.446 58.000 -0.227 0.000 0.931 235 F CB 1.691 40.418 39.000 -0.455 0.000 1.335 235 F HN 0.082 nan 8.300 nan 0.000 0.460 236 K N 1.907 122.103 120.400 -0.339 0.000 2.323 236 K HA 0.322 4.693 4.320 0.086 0.000 0.259 236 K C -1.152 175.280 176.600 -0.279 0.000 0.947 236 K CA -0.671 55.367 56.287 -0.415 0.000 0.819 236 K CB 1.204 33.561 32.500 -0.239 0.000 1.109 236 K HN 0.750 nan 8.250 nan 0.000 0.429 237 D N 2.879 123.087 120.400 -0.321 0.000 2.440 237 D HA -0.010 4.682 4.640 0.086 0.000 0.269 237 D C 1.199 177.531 176.300 0.054 0.000 1.249 237 D CA -0.312 53.688 54.000 0.000 0.000 1.055 237 D CB 0.367 41.240 40.800 0.122 0.000 1.104 237 D HN 0.445 nan 8.370 nan 0.000 0.561 238 L N -1.174 120.132 121.223 0.137 0.000 2.191 238 L HA -0.093 4.299 4.340 0.086 0.000 0.212 238 L C 2.244 179.146 176.870 0.052 0.000 1.103 238 L CA 1.105 56.004 54.840 0.098 0.000 0.769 238 L CB -0.287 41.840 42.059 0.114 0.000 0.908 238 L HN 0.294 nan 8.230 nan 0.000 0.438 239 R N -0.379 120.145 120.500 0.039 0.000 2.317 239 R HA 0.127 4.519 4.340 0.086 0.000 0.208 239 R C 1.120 177.393 176.300 -0.047 0.000 0.914 239 R CA 0.546 56.649 56.100 0.005 0.000 1.060 239 R CB 0.231 30.541 30.300 0.017 0.000 1.015 239 R HN 0.379 nan 8.270 nan 0.000 0.498 240 G N 0.838 109.594 108.800 -0.073 0.000 2.160 240 G HA2 -0.233 3.779 3.960 0.086 0.000 0.244 240 G HA3 -0.233 3.779 3.960 0.086 0.000 0.244 240 G C -0.100 174.683 174.900 -0.195 0.000 1.022 240 G CA -0.108 44.924 45.100 -0.114 0.000 0.741 240 G HN 0.149 nan 8.290 nan 0.000 0.508 241 V N 0.910 120.656 119.914 -0.281 0.000 2.347 241 V HA 0.732 4.904 4.120 0.086 0.000 0.280 241 V C 0.890 176.469 176.094 -0.859 0.000 1.021 241 V CA -0.351 61.668 62.300 -0.468 0.000 0.847 241 V CB 1.337 32.909 31.823 -0.417 0.000 0.990 241 V HN 1.088 nan 8.190 nan 0.000 0.444 242 A N 4.800 127.190 122.820 -0.716 0.000 2.450 242 A HA 0.568 4.939 4.320 0.086 0.000 0.255 242 A C -0.277 176.702 177.584 -1.009 0.000 1.096 242 A CA 0.102 51.709 52.037 -0.715 0.000 0.778 242 A CB -0.171 18.599 19.000 -0.384 0.000 1.031 242 A HN 0.984 nan 8.150 nan 0.000 0.494 243 H N 0.508 119.263 119.070 -0.525 0.000 2.747 243 H HA 0.671 5.278 4.556 0.085 0.000 0.371 243 H C -0.347 174.938 175.328 -0.072 0.000 1.161 243 H CA -0.737 55.089 56.048 -0.370 0.000 1.167 243 H CB 1.458 30.844 29.762 -0.627 0.000 1.732 243 H HN 0.716 nan 8.280 nan 0.000 0.544 244 R N 0.517 121.112 120.500 0.157 0.000 2.711 244 R HA 0.363 4.755 4.340 0.086 0.000 0.284 244 R C -0.582 175.853 176.300 0.225 0.000 0.968 244 R CA -0.964 55.230 56.100 0.158 0.000 0.924 244 R CB 1.711 32.063 30.300 0.086 0.000 1.162 244 R HN 0.625 nan 8.270 nan 0.000 0.465 245 T N 1.165 115.836 114.554 0.195 0.000 2.903 245 T HA 0.001 4.403 4.350 0.086 0.000 0.299 245 T C 1.395 176.192 174.700 0.162 0.000 1.041 245 T CA 1.565 63.772 62.100 0.179 0.000 1.138 245 T CB 0.269 69.208 68.868 0.118 0.000 1.040 245 T HN 0.937 nan 8.240 nan 0.000 0.524 246 G N 2.427 111.322 108.800 0.158 0.000 2.284 246 G HA2 -0.274 3.738 3.960 0.086 0.000 0.261 246 G HA3 -0.274 3.738 3.960 0.086 0.000 0.261 246 G C 0.034 175.028 174.900 0.156 0.000 0.997 246 G CA 0.349 45.521 45.100 0.121 0.000 0.621 246 G HN 0.777 nan 8.290 nan 0.000 0.534 247 E N 1.225 121.565 120.200 0.232 0.000 2.398 247 E HA 0.426 4.827 4.350 0.086 0.000 0.263 247 E C 0.181 177.015 176.600 0.390 0.000 1.046 247 E CA 0.443 57.020 56.400 0.294 0.000 0.908 247 E CB 0.393 30.287 29.700 0.323 0.000 0.963 247 E HN 0.619 nan 8.360 nan 0.000 0.431 248 E N 1.875 122.283 120.200 0.347 0.000 2.288 248 E HA 0.504 4.905 4.350 0.086 0.000 0.268 248 E C -1.130 175.705 176.600 0.392 0.000 0.885 248 E CA -0.746 55.789 56.400 0.226 0.000 0.767 248 E CB 1.515 31.307 29.700 0.154 0.000 1.220 248 E HN 0.442 nan 8.360 nan 0.000 0.427 249 W N 1.247 122.605 121.300 0.096 0.000 2.988 249 W HA 0.628 5.338 4.660 0.082 0.000 0.355 249 W C -2.141 174.400 176.519 0.036 0.000 1.233 249 W CA -1.009 56.365 57.345 0.050 0.000 1.176 249 W CB 0.596 30.068 29.460 0.020 0.000 1.477 249 W HN 0.268 nan 8.180 nan 0.000 0.582 250 L N 2.450 123.741 121.223 0.113 0.000 2.317 250 L HA 0.662 5.054 4.340 0.086 0.000 0.281 250 L C -0.452 176.442 176.870 0.041 0.000 1.024 250 L CA -1.506 53.294 54.840 -0.066 0.000 0.810 250 L CB 1.555 43.535 42.059 -0.132 0.000 1.240 250 L HN 0.320 nan 8.230 nan 0.000 0.427 251 V N 1.516 121.371 119.914 -0.098 0.000 2.394 251 V HA 0.450 4.621 4.120 0.086 0.000 0.282 251 V C 0.432 176.430 176.094 -0.159 0.000 1.031 251 V CA -0.368 61.884 62.300 -0.080 0.000 0.881 251 V CB 1.615 33.307 31.823 -0.217 0.000 0.982 251 V HN 0.934 nan 8.190 nan 0.000 0.451 252 T N 0.929 115.423 114.554 -0.100 0.000 2.940 252 T HA 0.460 4.861 4.350 0.086 0.000 0.288 252 T C 1.006 175.703 174.700 -0.005 0.000 1.045 252 T CA -0.398 61.635 62.100 -0.112 0.000 1.018 252 T CB 1.660 70.488 68.868 -0.067 0.000 1.151 252 T HN 0.224 nan 8.240 nan 0.000 0.529 253 V N 0.433 120.364 119.914 0.028 0.000 2.688 253 V HA -0.138 4.034 4.120 0.086 0.000 0.256 253 V C 2.559 178.690 176.094 0.061 0.000 1.084 253 V CA 1.421 63.754 62.300 0.055 0.000 1.103 253 V CB -1.544 30.320 31.823 0.069 0.000 0.688 253 V HN 0.772 nan 8.190 nan 0.000 0.480 254 Q N 0.217 120.058 119.800 0.068 0.000 2.230 254 Q HA -0.096 4.296 4.340 0.086 0.000 0.202 254 Q C 1.916 177.951 176.000 0.058 0.000 0.963 254 Q CA 1.414 57.256 55.803 0.065 0.000 0.866 254 Q CB -0.250 28.533 28.738 0.075 0.000 0.931 254 Q HN 0.681 nan 8.270 nan 0.000 0.452 255 D N -0.929 119.507 120.400 0.059 0.000 2.144 255 D HA 0.016 4.708 4.640 0.086 0.000 0.207 255 D C 0.488 176.836 176.300 0.078 0.000 0.970 255 D CA 1.081 55.122 54.000 0.068 0.000 0.853 255 D CB 0.297 41.141 40.800 0.074 0.000 1.007 255 D HN 0.115 nan 8.370 nan 0.000 0.469 256 T N -0.716 113.887 114.554 0.081 0.000 2.827 256 T HA 0.075 4.477 4.350 0.086 0.000 0.328 256 T C -0.007 174.739 174.700 0.077 0.000 1.598 256 T CA -0.590 61.563 62.100 0.088 0.000 1.043 256 T CB 1.745 70.691 68.868 0.130 0.000 1.447 256 T HN -0.062 nan 8.240 nan 0.000 0.491 257 E N 1.493 121.734 120.200 0.067 0.000 2.216 257 E HA 0.266 4.667 4.350 0.086 0.000 0.192 257 E C 0.459 177.096 176.600 0.062 0.000 0.988 257 E CA 0.434 56.868 56.400 0.057 0.000 0.834 257 E CB 0.177 29.904 29.700 0.045 0.000 0.772 257 E HN 0.661 nan 8.360 nan 0.000 0.479 258 A N 0.949 123.814 122.820 0.075 0.000 2.402 258 A HA 0.479 4.850 4.320 0.086 0.000 0.291 258 A C -1.836 175.815 177.584 0.111 0.000 1.051 258 A CA -0.679 51.403 52.037 0.075 0.000 0.716 258 A CB 0.794 19.820 19.000 0.042 0.000 1.223 258 A HN 0.316 nan 8.150 nan 0.000 0.425 259 H N 1.682 120.769 119.070 0.030 0.000 2.587 259 H HA 0.572 5.182 4.556 0.090 0.000 0.325 259 H C -1.117 174.230 175.328 0.031 0.000 1.012 259 H CA -0.310 55.765 56.048 0.044 0.000 1.213 259 H CB 1.358 31.153 29.762 0.055 0.000 1.431 259 H HN 0.398 nan 8.280 nan 0.000 0.492 260 V N 8.059 127.792 119.914 -0.301 0.000 2.408 260 V HA 0.215 4.386 4.120 0.086 0.000 0.267 260 V C -2.023 173.911 176.094 -0.267 0.000 1.047 260 V CA -1.728 60.456 62.300 -0.193 0.000 0.937 260 V CB 0.786 32.525 31.823 -0.141 0.000 0.999 260 V HN 0.829 nan 8.190 nan 0.000 0.472 261 P HA 0.085 nan 4.420 nan 0.000 0.264 261 P C -0.187 177.088 177.300 -0.040 0.000 1.229 261 P CA 0.113 63.246 63.100 0.055 0.000 0.780 261 P CB 0.308 32.032 31.700 0.039 0.000 0.808 262 D N 1.964 122.360 120.400 -0.007 0.000 2.384 262 D HA -0.042 4.649 4.640 0.086 0.000 0.244 262 D C 1.538 177.669 176.300 -0.282 0.000 1.251 262 D CA -0.265 53.664 54.000 -0.118 0.000 0.961 262 D CB 1.087 41.903 40.800 0.027 0.000 1.116 262 D HN 0.114 nan 8.370 nan 0.000 0.484 263 V N 0.827 120.422 119.914 -0.532 0.000 2.568 263 V HA -0.247 3.924 4.120 0.086 0.000 0.253 263 V C 1.618 177.396 176.094 -0.528 0.000 1.072 263 V CA 1.315 63.288 62.300 -0.546 0.000 1.084 263 V CB -1.330 30.141 31.823 -0.586 0.000 0.676 263 V HN 0.499 nan 8.190 nan 0.000 0.469 264 Y N 1.279 121.404 120.300 -0.291 0.000 2.583 264 Y HA 0.382 4.987 4.550 0.092 0.000 0.293 264 Y C 1.226 176.827 175.900 -0.498 0.000 1.157 264 Y CA -0.492 57.277 58.100 -0.552 0.000 1.315 264 Y CB -0.543 37.166 38.460 -1.252 0.000 1.021 264 Y HN 0.440 nan 8.280 nan 0.000 0.536 265 E N 0.585 120.675 120.200 -0.184 0.000 2.207 265 E HA 0.308 4.710 4.350 0.086 0.000 0.270 265 E C -0.814 175.739 176.600 -0.078 0.000 0.927 265 E CA -0.809 55.575 56.400 -0.028 0.000 0.799 265 E CB 1.998 31.786 29.700 0.147 0.000 1.172 265 E HN 0.117 nan 8.360 nan 0.000 0.404 266 E N 2.159 122.288 120.200 -0.117 0.000 2.176 266 E HA 0.256 4.658 4.350 0.086 0.000 0.267 266 E C -1.163 175.316 176.600 -0.201 0.000 0.893 266 E CA -0.722 55.595 56.400 -0.138 0.000 0.761 266 E CB 1.518 31.142 29.700 -0.126 0.000 1.133 266 E HN 0.190 nan 8.360 nan 0.000 0.409 267 V N 6.280 126.098 119.914 -0.160 0.000 2.439 267 V HA -0.020 4.152 4.120 0.086 0.000 0.271 267 V C 0.842 176.812 176.094 -0.207 0.000 1.040 267 V CA 0.067 62.260 62.300 -0.178 0.000 1.002 267 V CB 0.899 32.658 31.823 -0.107 0.000 1.000 267 V HN 0.790 nan 8.190 nan 0.000 0.477 268 L N 4.407 125.446 121.223 -0.307 0.000 2.298 268 L HA 0.529 4.921 4.340 0.086 0.000 0.209 268 L C 1.087 177.857 176.870 -0.166 0.000 1.084 268 L CA 1.543 56.189 54.840 -0.324 0.000 0.816 268 L CB -0.636 40.998 42.059 -0.709 0.000 0.967 268 L HN 0.921 nan 8.230 nan 0.000 0.460 269 G N -1.815 106.916 108.800 -0.115 0.000 2.356 269 G HA2 0.260 4.272 3.960 0.086 0.000 0.288 269 G HA3 0.260 4.272 3.960 0.086 0.000 0.288 269 G C -1.828 173.065 174.900 -0.012 0.000 1.302 269 G CA -0.501 44.575 45.100 -0.039 0.000 0.887 269 G HN -0.253 nan 8.290 nan 0.000 0.521 270 V N 0.340 120.249 119.914 -0.009 0.000 2.398 270 V HA 0.563 4.735 4.120 0.086 0.000 0.286 270 V C 0.245 176.339 176.094 -0.000 0.000 1.026 270 V CA -0.696 61.594 62.300 -0.017 0.000 0.868 270 V CB 1.368 33.182 31.823 -0.016 0.000 0.982 270 V HN 0.720 nan 8.190 nan 0.000 0.443 271 V N 8.197 128.102 119.914 -0.015 0.000 2.348 271 V HA 0.314 4.486 4.120 0.086 0.000 0.270 271 V C -1.982 174.196 176.094 0.140 0.000 1.037 271 V CA -1.662 60.656 62.300 0.030 0.000 0.872 271 V CB 1.415 33.231 31.823 -0.011 0.000 1.002 271 V HN 0.743 nan 8.190 nan 0.000 0.464 272 P HA 0.230 nan 4.420 nan 0.000 0.275 272 P C 0.080 177.425 177.300 0.074 0.000 1.227 272 P CA -0.311 62.855 63.100 0.108 0.000 0.781 272 P CB 1.130 32.838 31.700 0.012 0.000 0.906 273 I N 1.996 122.536 120.570 -0.050 0.000 2.815 273 I HA -0.030 4.192 4.170 0.086 0.000 0.291 273 I C 0.172 176.013 176.117 -0.460 0.000 1.209 273 I CA 0.823 61.781 61.300 -0.570 0.000 1.431 273 I CB 0.445 37.983 38.000 -0.771 0.000 1.351 273 I HN 0.282 nan 8.210 nan 0.000 0.585 274 T N 5.620 119.763 114.554 -0.685 0.000 2.767 274 T HA 0.238 4.640 4.350 0.086 0.000 0.288 274 T C -0.147 174.184 174.700 -0.616 0.000 0.963 274 T CA -0.310 61.372 62.100 -0.696 0.000 1.019 274 T CB 0.821 69.049 68.868 -1.066 0.000 0.923 274 T HN 0.681 nan 8.240 nan 0.000 0.468 275 T N 4.410 118.758 114.554 -0.344 0.000 2.792 275 T HA 0.631 5.032 4.350 0.086 0.000 0.280 275 T C -0.698 173.940 174.700 -0.105 0.000 0.990 275 T CA -0.831 61.153 62.100 -0.195 0.000 0.960 275 T CB 0.178 68.958 68.868 -0.147 0.000 0.939 275 T HN 0.397 nan 8.240 nan 0.000 0.439 276 L N 4.670 125.896 121.223 0.004 0.000 2.282 276 L HA 0.628 5.019 4.340 0.086 0.000 0.288 276 L C 1.348 178.280 176.870 0.104 0.000 1.033 276 L CA -1.088 53.793 54.840 0.069 0.000 0.807 276 L CB 1.389 43.545 42.059 0.162 0.000 1.209 276 L HN 0.828 nan 8.230 nan 0.000 0.423 277 G N 2.462 111.368 108.800 0.175 0.000 2.651 277 G HA2 0.224 4.236 3.960 0.086 0.000 0.260 277 G HA3 0.224 4.236 3.960 0.086 0.000 0.260 277 G C -1.527 173.466 174.900 0.156 0.000 1.216 277 G CA -0.809 44.412 45.100 0.202 0.000 0.913 277 G HN 0.510 nan 8.290 nan 0.000 0.535 278 P HA -0.058 nan 4.420 nan 0.000 0.220 278 P C 0.973 178.288 177.300 0.025 0.000 1.148 278 P CA 0.973 64.103 63.100 0.050 0.000 0.803 278 P CB 0.317 32.035 31.700 0.031 0.000 0.782 279 R N -1.361 119.118 120.500 -0.036 0.000 2.586 279 R HA 0.198 4.590 4.340 0.086 0.000 0.336 279 R C 0.317 176.488 176.300 -0.214 0.000 1.060 279 R CA -0.159 55.872 56.100 -0.115 0.000 1.079 279 R CB 0.025 30.226 30.300 -0.164 0.000 1.317 279 R HN 0.317 nan 8.270 nan 0.000 0.568 280 H N -0.284 118.841 119.070 0.092 0.000 2.621 280 H HA 0.273 4.881 4.556 0.086 0.000 0.360 280 H C -0.918 174.520 175.328 0.183 0.000 1.163 280 H CA -0.720 55.389 56.048 0.102 0.000 1.194 280 H CB 1.847 31.630 29.762 0.035 0.000 1.649 280 H HN 0.041 nan 8.280 nan 0.000 0.532 281 Y N -0.471 119.927 120.300 0.162 0.000 2.615 281 Y HA 0.573 5.174 4.550 0.086 0.000 0.341 281 Y C -0.868 175.086 175.900 0.090 0.000 1.089 281 Y CA -1.165 56.991 58.100 0.093 0.000 1.049 281 Y CB 1.106 39.589 38.460 0.038 0.000 1.296 281 Y HN 0.789 nan 8.280 nan 0.000 0.470 282 C N 0.345 119.669 119.300 0.041 0.000 3.171 282 C HA 0.908 5.420 4.460 0.086 0.000 0.308 282 C C -1.367 173.667 174.990 0.073 0.000 1.334 282 C CA -1.034 57.942 59.018 -0.070 0.000 1.473 282 C CB 1.279 29.038 27.740 0.033 0.000 1.866 282 C HN 0.886 nan 8.230 nan 0.000 0.465 283 V N 2.320 122.256 119.914 0.036 0.000 2.378 283 V HA 0.426 4.598 4.120 0.086 0.000 0.288 283 V C -0.056 176.060 176.094 0.036 0.000 1.016 283 V CA -0.215 62.124 62.300 0.065 0.000 0.840 283 V CB 1.249 33.124 31.823 0.088 0.000 0.994 283 V HN 0.807 nan 8.190 nan 0.000 0.431 284 I N 5.785 126.366 120.570 0.018 0.000 2.352 284 I HA 0.282 4.503 4.170 0.086 0.000 0.290 284 I C -0.114 176.015 176.117 0.020 0.000 1.036 284 I CA -0.094 61.217 61.300 0.018 0.000 1.336 284 I CB 0.936 38.920 38.000 -0.026 0.000 1.407 284 I HN 0.391 nan 8.210 nan 0.000 0.497 285 L N 6.447 127.686 121.223 0.027 0.000 2.326 285 L HA 0.257 4.649 4.340 0.086 0.000 0.278 285 L C -0.043 176.841 176.870 0.024 0.000 1.092 285 L CA -0.468 54.387 54.840 0.025 0.000 0.810 285 L CB 0.481 42.554 42.059 0.025 0.000 1.153 285 L HN 0.634 nan 8.230 nan 0.000 0.439 286 D N 0.982 121.395 120.400 0.021 0.000 2.705 286 D HA -0.115 4.577 4.640 0.086 0.000 0.240 286 D C -2.240 174.073 176.300 0.021 0.000 1.137 286 D CA 0.224 54.237 54.000 0.022 0.000 0.677 286 D CB -0.957 39.859 40.800 0.025 0.000 1.049 286 D HN 0.302 nan 8.370 nan 0.000 0.427 287 P HA 0.052 nan 4.420 nan 0.000 0.269 287 P C 0.545 177.854 177.300 0.015 0.000 1.209 287 P CA -0.477 62.628 63.100 0.008 0.000 0.776 287 P CB 0.675 32.369 31.700 -0.009 0.000 0.876 288 M N 2.109 121.721 119.600 0.020 0.000 2.249 288 M HA 0.303 4.834 4.480 0.086 0.000 0.340 288 M C 1.044 177.356 176.300 0.019 0.000 1.166 288 M CA 0.984 56.301 55.300 0.029 0.000 1.115 288 M CB -0.031 32.594 32.600 0.041 0.000 1.606 288 M HN 0.488 nan 8.290 nan 0.000 0.448 289 G N 3.115 111.928 108.800 0.022 0.000 2.531 289 G HA2 0.521 4.532 3.960 0.086 0.000 0.313 289 G HA3 0.521 4.532 3.960 0.086 0.000 0.313 289 G C -1.974 172.937 174.900 0.017 0.000 1.238 289 G CA -0.980 44.129 45.100 0.016 0.000 0.994 289 G HN 0.621 nan 8.290 nan 0.000 0.493 290 P HA -0.033 nan 4.420 nan 0.000 0.230 290 P C 0.570 177.877 177.300 0.011 0.000 1.158 290 P CA 1.024 64.131 63.100 0.011 0.000 0.769 290 P CB 0.257 31.960 31.700 0.006 0.000 0.807 291 D N -1.162 119.246 120.400 0.013 0.000 2.342 291 D HA 0.082 4.774 4.640 0.086 0.000 0.221 291 D C 1.242 177.554 176.300 0.020 0.000 1.101 291 D CA 0.272 54.279 54.000 0.011 0.000 0.837 291 D CB -0.551 40.255 40.800 0.009 0.000 0.938 291 D HN 0.186 nan 8.370 nan 0.000 0.508 292 G N 0.719 109.536 108.800 0.029 0.000 2.159 292 G HA2 -0.269 3.743 3.960 0.086 0.000 0.256 292 G HA3 -0.269 3.743 3.960 0.086 0.000 0.256 292 G C 0.012 174.945 174.900 0.055 0.000 0.977 292 G CA 0.138 45.265 45.100 0.045 0.000 0.652 292 G HN 0.447 nan 8.290 nan 0.000 0.531 293 K N 0.501 120.927 120.400 0.043 0.000 2.270 293 K HA 0.344 4.716 4.320 0.086 0.000 0.255 293 K C -0.267 176.357 176.600 0.039 0.000 0.936 293 K CA -1.011 55.303 56.287 0.045 0.000 0.809 293 K CB 1.034 33.556 32.500 0.036 0.000 1.131 293 K HN 0.092 nan 8.250 nan 0.000 0.427 294 N N 2.841 121.567 118.700 0.043 0.000 2.447 294 N HA -0.042 4.750 4.740 0.086 0.000 0.263 294 N C -0.546 174.981 175.510 0.029 0.000 1.226 294 N CA 0.462 53.533 53.050 0.036 0.000 0.906 294 N CB 0.664 39.175 38.487 0.039 0.000 1.060 294 N HN 0.394 nan 8.380 nan 0.000 0.468 295 Q N 2.698 122.512 119.800 0.023 0.000 2.441 295 Q HA 0.270 4.662 4.340 0.086 0.000 0.234 295 Q C -0.085 175.927 176.000 0.020 0.000 1.078 295 Q CA -0.239 55.575 55.803 0.019 0.000 0.907 295 Q CB 0.581 29.328 28.738 0.015 0.000 1.269 295 Q HN 0.341 nan 8.270 nan 0.000 0.502 296 L N 0.943 122.179 121.223 0.021 0.000 2.453 296 L HA 0.168 4.560 4.340 0.086 0.000 0.272 296 L C 1.409 178.291 176.870 0.019 0.000 1.182 296 L CA 0.375 55.228 54.840 0.021 0.000 0.858 296 L CB 0.189 42.260 42.059 0.021 0.000 1.120 296 L HN 0.968 nan 8.230 nan 0.000 0.474 297 G N 1.500 110.311 108.800 0.019 0.000 2.189 297 G HA2 -0.262 3.750 3.960 0.086 0.000 0.267 297 G HA3 -0.262 3.750 3.960 0.086 0.000 0.267 297 G C 0.344 175.255 174.900 0.018 0.000 0.975 297 G CA 0.115 45.226 45.100 0.018 0.000 0.644 297 G HN 0.653 nan 8.290 nan 0.000 0.537 298 Q N -0.142 119.669 119.800 0.018 0.000 2.185 298 Q HA 0.650 5.042 4.340 0.086 0.000 0.225 298 Q C 0.276 176.287 176.000 0.018 0.000 0.983 298 Q CA -0.277 55.536 55.803 0.017 0.000 0.950 298 Q CB 0.952 29.698 28.738 0.014 0.000 1.176 298 Q HN 0.599 nan 8.270 nan 0.000 0.510 299 K N 0.149 120.559 120.400 0.017 0.000 2.527 299 K HA 0.589 4.961 4.320 0.086 0.000 0.260 299 K C -1.187 175.420 176.600 0.012 0.000 0.937 299 K CA -1.013 55.285 56.287 0.018 0.000 0.826 299 K CB 2.215 34.733 32.500 0.029 0.000 1.359 299 K HN 0.325 nan 8.250 nan 0.000 0.434 300 R N 2.113 122.615 120.500 0.004 0.000 2.514 300 R HA 0.278 4.670 4.340 0.086 0.000 0.296 300 R C -1.317 174.978 176.300 -0.007 0.000 1.012 300 R CA -0.663 55.429 56.100 -0.012 0.000 0.897 300 R CB 2.101 32.377 30.300 -0.040 0.000 1.184 300 R HN 0.568 nan 8.270 nan 0.000 0.440 301 V N 5.196 125.115 119.914 0.009 0.000 2.455 301 V HA 0.193 4.364 4.120 0.086 0.000 0.273 301 V C 0.168 176.263 176.094 0.002 0.000 1.045 301 V CA -0.347 61.980 62.300 0.045 0.000 0.976 301 V CB 1.270 33.115 31.823 0.036 0.000 0.993 301 V HN 0.379 nan 8.190 nan 0.000 0.475 302 V N 6.353 126.269 119.914 0.004 0.000 2.459 302 V HA 0.618 4.790 4.120 0.086 0.000 0.295 302 V C 0.064 176.202 176.094 0.073 0.000 1.029 302 V CA -0.774 61.496 62.300 -0.051 0.000 0.874 302 V CB 1.644 33.311 31.823 -0.259 0.000 0.985 302 V HN 0.951 nan 8.190 nan 0.000 0.438 303 K N 2.816 123.256 120.400 0.068 0.000 2.443 303 K HA 0.722 5.094 4.320 0.086 0.000 0.251 303 K C 0.041 176.704 176.600 0.105 0.000 0.972 303 K CA 0.029 56.394 56.287 0.131 0.000 0.833 303 K CB 2.204 34.771 32.500 0.112 0.000 1.317 303 K HN 1.362 nan 8.250 nan 0.000 0.441 304 G N 1.811 110.692 108.800 0.135 0.000 2.434 304 G HA2 -0.247 3.764 3.960 0.086 0.000 0.224 304 G HA3 -0.247 3.764 3.960 0.086 0.000 0.224 304 G C -0.272 174.674 174.900 0.076 0.000 0.807 304 G CA 0.978 46.139 45.100 0.102 0.000 1.113 304 G HN 0.969 nan 8.290 nan 0.000 0.327 305 E N -0.782 119.467 120.200 0.082 0.000 2.313 305 E HA -0.169 4.232 4.350 0.086 0.000 0.190 305 E C 0.086 176.725 176.600 0.065 0.000 1.406 305 E CA 1.244 57.681 56.400 0.062 0.000 0.668 305 E CB -0.367 29.360 29.700 0.045 0.000 1.135 305 E HN 0.573 nan 8.360 nan 0.000 0.375 306 K N 0.635 121.089 120.400 0.089 0.000 2.501 306 K HA 0.490 4.862 4.320 0.086 0.000 0.252 306 K C -0.994 175.682 176.600 0.127 0.000 0.934 306 K CA -0.817 55.540 56.287 0.116 0.000 0.797 306 K CB 2.284 34.874 32.500 0.150 0.000 1.270 306 K HN 0.049 nan 8.250 nan 0.000 0.431 307 S N 2.417 118.169 115.700 0.086 0.000 2.473 307 S HA 0.803 5.325 4.470 0.086 0.000 0.307 307 S C -0.963 173.659 174.600 0.036 0.000 1.094 307 S CA -0.721 57.461 58.200 -0.029 0.000 1.070 307 S CB 0.372 63.503 63.200 -0.115 0.000 1.019 307 S HN 0.461 nan 8.310 nan 0.000 0.480 308 F N 0.136 119.949 119.950 -0.229 0.000 2.686 308 F HA 0.784 5.363 4.527 0.086 0.000 0.311 308 F C -1.869 173.730 175.800 -0.335 0.000 1.128 308 F CA -1.660 56.215 58.000 -0.209 0.000 0.946 308 F CB 0.665 39.625 39.000 -0.067 0.000 1.336 308 F HN 0.321 nan 8.300 nan 0.000 0.457 309 F N 2.586 122.592 119.950 0.093 0.000 2.408 309 F HA 0.499 5.079 4.527 0.088 0.000 0.344 309 F C 0.175 176.068 175.800 0.155 0.000 1.112 309 F CA -0.780 57.216 58.000 -0.006 0.000 1.096 309 F CB 1.477 40.477 39.000 -0.001 0.000 1.129 309 F HN 0.401 nan 8.300 nan 0.000 0.486 310 L N 4.721 126.083 121.223 0.230 0.000 2.534 310 L HA 0.020 4.411 4.340 0.086 0.000 0.271 310 L C 0.323 177.262 176.870 0.114 0.000 1.178 310 L CA -0.218 54.753 54.840 0.217 0.000 0.907 310 L CB 0.152 42.277 42.059 0.109 0.000 1.164 310 L HN 0.522 nan 8.230 nan 0.000 0.482 311 Q N 5.029 124.891 119.800 0.105 0.000 2.368 311 Q HA 0.271 4.662 4.340 0.086 0.000 0.237 311 Q C -2.077 173.888 176.000 -0.058 0.000 0.987 311 Q CA -1.944 53.874 55.803 0.025 0.000 0.896 311 Q CB 0.138 28.914 28.738 0.064 0.000 1.241 311 Q HN 0.332 nan 8.270 nan 0.000 0.485 312 P HA -0.065 nan 4.420 nan 0.000 0.261 312 P C 0.636 177.939 177.300 0.005 0.000 1.173 312 P CA 1.502 64.543 63.100 -0.099 0.000 0.760 312 P CB 0.213 31.934 31.700 0.034 0.000 0.783 313 G N 1.932 110.744 108.800 0.019 0.000 2.267 313 G HA2 -0.266 3.745 3.960 0.086 0.000 0.257 313 G HA3 -0.266 3.745 3.960 0.086 0.000 0.257 313 G C 0.142 175.059 174.900 0.029 0.000 0.998 313 G CA -0.139 44.982 45.100 0.036 0.000 0.620 313 G HN 0.562 nan 8.290 nan 0.000 0.529 314 E N 0.711 120.926 120.200 0.025 0.000 2.366 314 E HA 0.542 4.944 4.350 0.086 0.000 0.266 314 E C 0.652 177.273 176.600 0.036 0.000 1.051 314 E CA -0.019 56.402 56.400 0.036 0.000 0.884 314 E CB 0.504 30.236 29.700 0.053 0.000 1.006 314 E HN 0.725 nan 8.360 nan 0.000 0.417 315 R N 1.522 122.046 120.500 0.040 0.000 2.739 315 R HA 0.437 4.828 4.340 0.086 0.000 0.271 315 R C -1.370 174.955 176.300 0.043 0.000 1.010 315 R CA -0.847 55.275 56.100 0.037 0.000 0.897 315 R CB 0.715 31.030 30.300 0.025 0.000 1.236 315 R HN 0.316 nan 8.270 nan 0.000 0.466 316 L N 2.085 123.332 121.223 0.040 0.000 2.326 316 L HA 0.221 4.613 4.340 0.086 0.000 0.278 316 L C 1.539 178.417 176.870 0.014 0.000 1.092 316 L CA -0.216 54.645 54.840 0.036 0.000 0.810 316 L CB 1.473 43.550 42.059 0.030 0.000 1.153 316 L HN 0.924 nan 8.230 nan 0.000 0.439 317 E N 2.672 122.879 120.200 0.012 0.000 2.072 317 E HA -0.118 4.284 4.350 0.086 0.000 0.191 317 E C 0.939 177.536 176.600 -0.006 0.000 0.985 317 E CA 1.087 57.493 56.400 0.009 0.000 0.801 317 E CB 0.386 30.099 29.700 0.021 0.000 0.750 317 E HN 0.467 nan 8.360 nan 0.000 0.452 318 R N -0.796 119.687 120.500 -0.029 0.000 2.570 318 R HA 0.175 4.566 4.340 0.086 0.000 0.246 318 R C -0.135 176.122 176.300 -0.072 0.000 1.417 318 R CA 0.293 56.368 56.100 -0.043 0.000 1.525 318 R CB 0.271 30.548 30.300 -0.039 0.000 1.403 318 R HN 0.352 nan 8.270 nan 0.000 0.754 319 G N 1.592 110.356 108.800 -0.061 0.000 2.574 319 G HA2 -0.332 3.679 3.960 0.086 0.000 0.282 319 G HA3 -0.332 3.679 3.960 0.086 0.000 0.282 319 G C -0.155 174.679 174.900 -0.110 0.000 1.257 319 G CA 0.077 45.132 45.100 -0.076 0.000 0.956 319 G HN 0.302 nan 8.290 nan 0.000 0.560 320 I N 1.526 122.014 120.570 -0.136 0.000 2.365 320 I HA 0.423 4.644 4.170 0.086 0.000 0.291 320 I C 0.673 176.682 176.117 -0.181 0.000 1.004 320 I CA -0.045 61.148 61.300 -0.177 0.000 1.311 320 I CB 1.529 39.383 38.000 -0.242 0.000 1.401 320 I HN 0.505 nan 8.210 nan 0.000 0.491 321 Q N 4.188 123.831 119.800 -0.262 0.000 2.348 321 Q HA 0.374 4.765 4.340 0.086 0.000 0.271 321 Q C -1.419 174.573 176.000 -0.013 0.000 1.067 321 Q CA -1.085 54.540 55.803 -0.296 0.000 0.839 321 Q CB 2.118 30.403 28.738 -0.755 0.000 1.354 321 Q HN 0.418 nan 8.270 nan 0.000 0.447 322 D N 1.272 121.714 120.400 0.068 0.000 2.312 322 D HA 0.137 4.828 4.640 0.086 0.000 0.252 322 D C -0.261 176.168 176.300 0.216 0.000 1.150 322 D CA -0.079 53.970 54.000 0.082 0.000 0.870 322 D CB 1.213 42.012 40.800 -0.002 0.000 1.153 322 D HN 0.132 nan 8.370 nan 0.000 0.457 323 V N 2.990 123.034 119.914 0.216 0.000 3.032 323 V HA -0.140 4.032 4.120 0.086 0.000 0.307 323 V C 0.131 176.282 176.094 0.095 0.000 1.097 323 V CA 0.203 62.607 62.300 0.174 0.000 1.191 323 V CB 0.051 31.929 31.823 0.091 0.000 0.964 323 V HN 0.425 nan 8.190 nan 0.000 0.494 324 Y N 2.809 123.137 120.300 0.046 0.000 2.569 324 Y HA 0.314 4.915 4.550 0.086 0.000 0.332 324 Y C 0.366 176.302 175.900 0.060 0.000 1.120 324 Y CA 0.381 58.528 58.100 0.079 0.000 1.416 324 Y CB 0.964 39.514 38.460 0.151 0.000 1.210 324 Y HN 0.363 nan 8.280 nan 0.000 0.528 325 V N 7.089 127.094 119.914 0.152 0.000 2.378 325 V HA 0.482 4.653 4.120 0.086 0.000 0.288 325 V C -1.289 174.860 176.094 0.091 0.000 1.016 325 V CA -0.754 61.606 62.300 0.101 0.000 0.840 325 V CB 0.753 32.603 31.823 0.044 0.000 0.994 325 V HN 0.545 nan 8.190 nan 0.000 0.431 326 L N 6.678 127.953 121.223 0.087 0.000 2.307 326 L HA 0.669 5.060 4.340 0.086 0.000 0.284 326 L C 0.665 177.559 176.870 0.040 0.000 1.023 326 L CA 0.575 55.452 54.840 0.063 0.000 0.810 326 L CB 2.051 44.143 42.059 0.055 0.000 1.231 326 L HN 0.910 nan 8.230 nan 0.000 0.423 327 S N 1.414 117.132 115.700 0.029 0.000 2.666 327 S HA 0.350 4.872 4.470 0.086 0.000 0.279 327 S C 0.931 175.540 174.600 0.016 0.000 1.149 327 S CA -0.529 57.683 58.200 0.021 0.000 1.020 327 S CB 0.503 63.712 63.200 0.017 0.000 1.127 327 S HN 0.620 nan 8.310 nan 0.000 0.537 328 E N 0.359 120.567 120.200 0.013 0.000 2.085 328 E HA -0.178 4.224 4.350 0.086 0.000 0.194 328 E C 2.501 179.105 176.600 0.007 0.000 0.994 328 E CA 1.506 57.912 56.400 0.010 0.000 0.801 328 E CB -0.598 29.107 29.700 0.009 0.000 0.743 328 E HN 0.837 nan 8.360 nan 0.000 0.453 329 Q N 1.136 120.939 119.800 0.006 0.000 2.444 329 Q HA 0.003 4.394 4.340 0.086 0.000 0.206 329 Q C 0.601 176.602 176.000 0.001 0.000 0.948 329 Q CA 0.697 56.502 55.803 0.003 0.000 0.946 329 Q CB -0.259 28.482 28.738 0.004 0.000 1.027 329 Q HN 0.323 nan 8.270 nan 0.000 0.513 330 Q N -1.631 118.170 119.800 0.003 0.000 2.348 330 Q HA 0.729 5.121 4.340 0.086 0.000 0.271 330 Q C -0.213 175.779 176.000 -0.012 0.000 1.067 330 Q CA -0.638 55.165 55.803 -0.000 0.000 0.839 330 Q CB 2.403 31.149 28.738 0.014 0.000 1.354 330 Q HN 0.460 nan 8.270 nan 0.000 0.447 331 G N 0.367 109.149 108.800 -0.030 0.000 2.649 331 G HA2 0.659 4.670 3.960 0.086 0.000 0.290 331 G HA3 0.659 4.670 3.960 0.086 0.000 0.290 331 G C -2.179 172.655 174.900 -0.110 0.000 1.426 331 G CA -0.455 44.606 45.100 -0.065 0.000 0.794 331 G HN 0.281 nan 8.290 nan 0.000 0.483 332 L N 0.122 121.230 121.223 -0.192 0.000 2.439 332 L HA 0.544 4.936 4.340 0.086 0.000 0.270 332 L C -0.796 175.847 176.870 -0.378 0.000 0.972 332 L CA -0.623 54.040 54.840 -0.296 0.000 0.836 332 L CB 1.856 43.650 42.059 -0.442 0.000 1.255 332 L HN 0.517 nan 8.230 nan 0.000 0.404 333 L N 5.349 126.373 121.223 -0.332 0.000 2.325 333 L HA 0.471 4.862 4.340 0.086 0.000 0.284 333 L C -1.000 175.560 176.870 -0.516 0.000 1.089 333 L CA 0.461 55.076 54.840 -0.375 0.000 0.836 333 L CB 0.145 42.061 42.059 -0.238 0.000 1.184 333 L HN 0.471 nan 8.230 nan 0.000 0.444 334 L N 5.411 126.144 121.223 -0.816 0.000 2.346 334 L HA 0.551 4.942 4.340 0.086 0.000 0.276 334 L C -0.235 176.049 176.870 -0.977 0.000 1.006 334 L CA -0.717 53.526 54.840 -0.994 0.000 0.817 334 L CB 1.664 42.858 42.059 -1.441 0.000 1.272 334 L HN 0.505 nan 8.230 nan 0.000 0.421 335 K N 2.225 122.298 120.400 -0.544 0.000 2.206 335 K HA 0.731 5.103 4.320 0.086 0.000 0.264 335 K C -0.689 175.858 176.600 -0.087 0.000 0.967 335 K CA -0.508 55.622 56.287 -0.262 0.000 0.844 335 K CB 1.858 34.276 32.500 -0.137 0.000 1.099 335 K HN 0.714 nan 8.250 nan 0.000 0.441 336 A N 4.256 127.182 122.820 0.177 0.000 2.340 336 A HA 0.427 4.799 4.320 0.086 0.000 0.268 336 A C -0.116 177.549 177.584 0.136 0.000 1.100 336 A CA -0.504 51.697 52.037 0.275 0.000 0.803 336 A CB 0.150 19.376 19.000 0.376 0.000 1.043 336 A HN 0.812 nan 8.150 nan 0.000 0.488 337 L N 1.800 123.092 121.223 0.115 0.000 3.291 337 L HA 0.197 4.589 4.340 0.086 0.000 0.307 337 L C 0.486 177.398 176.870 0.070 0.000 1.303 337 L CA 0.034 54.919 54.840 0.075 0.000 0.949 337 L CB 0.001 42.092 42.059 0.053 0.000 1.375 337 L HN 0.789 nan 8.230 nan 0.000 0.596 351 H N 0.818 119.743 119.070 -0.241 0.000 2.569 351 H HA 0.573 5.181 4.556 0.086 0.000 0.357 351 H C -0.515 174.763 175.328 -0.082 0.000 1.153 351 H CA -0.382 55.549 56.048 -0.195 0.000 1.193 351 H CB 1.586 31.154 29.762 -0.323 0.000 1.602 351 H HN 0.742 nan 8.280 nan 0.000 0.523 352 Q N 0.449 120.299 119.800 0.083 0.000 2.316 352 Q HA 0.463 4.855 4.340 0.086 0.000 0.215 352 Q C -0.070 175.986 176.000 0.094 0.000 1.020 352 Q CA -0.701 55.140 55.803 0.063 0.000 0.970 352 Q CB 0.670 29.433 28.738 0.042 0.000 1.187 352 Q HN 0.745 nan 8.270 nan 0.000 0.546 353 A N 0.449 123.311 122.820 0.069 0.000 2.484 353 A HA 0.459 4.831 4.320 0.086 0.000 0.268 353 A C 1.015 178.640 177.584 0.069 0.000 1.114 353 A CA 0.728 52.808 52.037 0.072 0.000 0.780 353 A CB -1.166 17.864 19.000 0.050 0.000 1.061 353 A HN 0.873 nan 8.150 nan 0.000 0.505 354 G N 2.725 111.574 108.800 0.082 0.000 2.436 354 G HA2 -0.192 3.819 3.960 0.086 0.000 0.204 354 G HA3 -0.192 3.819 3.960 0.086 0.000 0.204 354 G C -0.083 174.862 174.900 0.074 0.000 1.026 354 G CA 0.169 45.306 45.100 0.062 0.000 0.658 354 G HN 1.105 nan 8.290 nan 0.000 0.499 355 D N 1.224 121.690 120.400 0.111 0.000 2.362 355 D HA 0.534 5.225 4.640 0.086 0.000 0.242 355 D C 0.696 177.106 176.300 0.183 0.000 1.132 355 D CA -0.135 53.944 54.000 0.131 0.000 0.907 355 D CB 0.429 41.317 40.800 0.147 0.000 1.195 355 D HN 0.875 nan 8.370 nan 0.000 0.429 356 R N 0.121 120.704 120.500 0.138 0.000 2.740 356 R HA 0.761 5.152 4.340 0.086 0.000 0.282 356 R C -1.188 175.208 176.300 0.160 0.000 0.969 356 R CA -1.213 54.920 56.100 0.056 0.000 0.918 356 R CB 1.394 31.639 30.300 -0.091 0.000 1.175 356 R HN 0.768 nan 8.270 nan 0.000 0.464 357 W N 1.572 122.760 121.300 -0.187 0.000 3.031 357 W HA 0.571 5.282 4.660 0.086 0.000 0.337 357 W C -1.950 174.483 176.519 -0.143 0.000 1.187 357 W CA -1.599 55.657 57.345 -0.148 0.000 1.166 357 W CB 0.925 30.280 29.460 -0.174 0.000 1.437 357 W HN 0.456 nan 8.180 nan 0.000 0.551 358 L N 3.756 124.975 121.223 -0.006 0.000 2.292 358 L HA 0.617 5.009 4.340 0.086 0.000 0.284 358 L C -0.850 176.019 176.870 -0.002 0.000 1.065 358 L CA -0.795 53.980 54.840 -0.108 0.000 0.806 358 L CB 0.843 42.877 42.059 -0.043 0.000 1.175 358 L HN 0.662 nan 8.230 nan 0.000 0.431 359 I N 5.019 125.513 120.570 -0.127 0.000 2.433 359 I HA 0.808 5.029 4.170 0.086 0.000 0.292 359 I C 0.053 176.131 176.117 -0.064 0.000 1.001 359 I CA -0.137 61.143 61.300 -0.034 0.000 1.119 359 I CB 1.120 39.084 38.000 -0.060 0.000 1.289 359 I HN 0.853 nan 8.210 nan 0.000 0.438 360 R N 4.002 124.494 120.500 -0.012 0.000 3.145 360 R HA 0.913 5.304 4.340 0.086 0.000 0.253 360 R C 0.302 176.605 176.300 0.005 0.000 1.289 360 R CA -0.193 55.899 56.100 -0.014 0.000 1.030 360 R CB -0.420 29.876 30.300 -0.007 0.000 1.387 360 R HN 1.422 nan 8.270 nan 0.000 0.466 361 G N -0.660 108.144 108.800 0.007 0.000 2.752 361 G HA2 -0.065 3.947 3.960 0.086 0.000 0.234 361 G HA3 -0.065 3.947 3.960 0.086 0.000 0.234 361 G C -2.626 172.284 174.900 0.017 0.000 1.367 361 G CA -0.104 45.004 45.100 0.013 0.000 0.879 361 G HN 0.839 nan 8.290 nan 0.000 0.563 362 P HA 0.573 nan 4.420 nan 0.000 0.276 362 P C -0.262 177.058 177.300 0.033 0.000 1.243 362 P CA 0.104 63.219 63.100 0.025 0.000 0.768 362 P CB 0.884 32.597 31.700 0.022 0.000 0.856 363 L N -0.125 121.124 121.223 0.043 0.000 2.838 363 L HA 0.644 5.036 4.340 0.086 0.000 0.266 363 L C -1.121 175.796 176.870 0.079 0.000 1.040 363 L CA -0.774 54.100 54.840 0.058 0.000 0.906 363 L CB 1.362 43.458 42.059 0.061 0.000 1.501 363 L HN 0.103 nan 8.230 nan 0.000 0.407 364 E N 0.459 120.713 120.200 0.091 0.000 2.176 364 E HA 0.440 4.842 4.350 0.086 0.000 0.267 364 E C -1.982 174.714 176.600 0.159 0.000 0.893 364 E CA -0.588 55.880 56.400 0.112 0.000 0.761 364 E CB 2.207 31.947 29.700 0.067 0.000 1.133 364 E HN 0.573 nan 8.360 nan 0.000 0.409 365 Y N 2.962 123.290 120.300 0.048 0.000 2.331 365 Y HA 0.356 4.957 4.550 0.086 0.000 0.338 365 Y C -1.050 174.848 175.900 -0.004 0.000 0.992 365 Y CA -0.901 57.187 58.100 -0.019 0.000 1.121 365 Y CB 0.942 39.310 38.460 -0.154 0.000 1.184 365 Y HN 0.223 nan 8.280 nan 0.000 0.469 366 V N 8.486 127.997 119.914 -0.671 0.000 2.370 366 V HA 0.370 4.541 4.120 0.086 0.000 0.283 366 V C -2.185 173.198 176.094 -1.186 0.000 1.023 366 V CA -2.288 59.556 62.300 -0.761 0.000 0.857 366 V CB 0.937 32.494 31.823 -0.443 0.000 0.985 366 V HN 0.751 nan 8.190 nan 0.000 0.443 367 P HA -0.032 nan 4.420 nan 0.000 0.263 367 P C 0.703 177.784 177.300 -0.365 0.000 1.168 367 P CA 0.674 63.435 63.100 -0.566 0.000 0.759 367 P CB 0.718 32.249 31.700 -0.281 0.000 0.782 368 S N 2.871 118.472 115.700 -0.166 0.000 2.591 368 S HA 0.310 4.832 4.470 0.086 0.000 0.235 368 S C 1.275 175.870 174.600 -0.009 0.000 1.074 368 S CA 1.013 59.174 58.200 -0.066 0.000 0.925 368 S CB -0.495 62.719 63.200 0.024 0.000 0.818 368 S HN 0.534 nan 8.310 nan 0.000 0.535 369 A N 0.492 123.324 122.820 0.020 0.000 3.663 369 A HA -0.166 4.205 4.320 0.086 0.000 0.254 369 A C 1.251 178.858 177.584 0.039 0.000 1.037 369 A CA 1.323 53.378 52.037 0.030 0.000 1.450 369 A CB -2.340 16.675 19.000 0.025 0.000 1.014 369 A HN 0.521 nan 8.150 nan 0.000 0.865 370 K N -0.548 119.882 120.400 0.050 0.000 2.374 370 K HA 0.394 4.766 4.320 0.086 0.000 0.196 370 K C 0.172 176.827 176.600 0.092 0.000 1.023 370 K CA 1.010 57.337 56.287 0.066 0.000 1.103 370 K CB 1.028 33.569 32.500 0.068 0.000 0.848 370 K HN 1.034 nan 8.250 nan 0.000 0.528 371 V N 1.343 121.309 119.914 0.087 0.000 2.711 371 V HA 0.232 4.404 4.120 0.086 0.000 0.304 371 V C -1.835 174.271 176.094 0.019 0.000 1.097 371 V CA -0.864 61.477 62.300 0.068 0.000 0.906 371 V CB 1.834 33.736 31.823 0.131 0.000 1.015 371 V HN 0.275 nan 8.190 nan 0.000 0.427 372 E N 4.889 125.065 120.200 -0.041 0.000 2.216 372 E HA 0.577 4.979 4.350 0.086 0.000 0.279 372 E C -0.373 176.134 176.600 -0.155 0.000 0.997 372 E CA -0.812 55.555 56.400 -0.055 0.000 0.817 372 E CB 2.131 31.809 29.700 -0.037 0.000 1.096 372 E HN 0.854 nan 8.360 nan 0.000 0.393 373 V N 5.205 125.031 119.914 -0.146 0.000 2.415 373 V HA -0.011 4.160 4.120 0.086 0.000 0.267 373 V C 0.528 176.524 176.094 -0.164 0.000 1.042 373 V CA 0.007 62.156 62.300 -0.252 0.000 1.000 373 V CB 0.484 32.119 31.823 -0.313 0.000 1.015 373 V HN 0.818 nan 8.190 nan 0.000 0.478 374 V N 5.525 125.317 119.914 -0.203 0.000 2.346 374 V HA 0.162 4.334 4.120 0.086 0.000 0.244 374 V C 1.101 177.133 176.094 -0.104 0.000 1.037 374 V CA 1.235 63.452 62.300 -0.138 0.000 1.029 374 V CB -0.491 31.238 31.823 -0.156 0.000 0.663 374 V HN 0.915 nan 8.190 nan 0.000 0.454 375 E N -0.820 119.302 120.200 -0.131 0.000 2.393 375 E HA 0.445 4.846 4.350 0.086 0.000 0.273 375 E C -1.045 175.502 176.600 -0.087 0.000 0.918 375 E CA -0.537 55.810 56.400 -0.088 0.000 0.773 375 E CB 2.646 32.296 29.700 -0.084 0.000 1.275 375 E HN 0.258 nan 8.360 nan 0.000 0.451 376 E N 1.892 122.071 120.200 -0.035 0.000 2.173 376 E HA 0.155 4.556 4.350 0.086 0.000 0.249 376 E C -0.902 175.689 176.600 -0.015 0.000 0.923 376 E CA -0.516 55.880 56.400 -0.006 0.000 0.754 376 E CB 0.485 30.218 29.700 0.056 0.000 1.177 376 E HN 0.060 nan 8.360 nan 0.000 0.430 377 R N 2.523 123.001 120.500 -0.037 0.000 2.248 377 R HA 0.092 4.483 4.340 0.086 0.000 0.337 377 R C 0.538 176.828 176.300 -0.016 0.000 1.085 377 R CA 0.195 56.275 56.100 -0.033 0.000 0.934 377 R CB 1.030 31.300 30.300 -0.050 0.000 1.034 377 R HN 0.624 nan 8.270 nan 0.000 0.465 378 Q N 1.663 121.458 119.800 -0.008 0.000 2.246 378 Q HA 0.254 4.646 4.340 0.086 0.000 0.202 378 Q C 0.724 176.720 176.000 -0.006 0.000 0.883 378 Q CA 0.503 56.305 55.803 -0.003 0.000 0.952 378 Q CB 0.523 29.262 28.738 0.002 0.000 1.078 378 Q HN 0.692 nan 8.270 nan 0.000 0.493 379 A N 0.207 123.020 122.820 -0.011 0.000 2.476 379 A HA 0.632 5.004 4.320 0.086 0.000 0.275 379 A C 0.424 178.003 177.584 -0.008 0.000 1.133 379 A CA 0.908 52.939 52.037 -0.010 0.000 0.797 379 A CB -1.182 17.809 19.000 -0.015 0.000 1.081 379 A HN 1.693 nan 8.150 nan 0.000 0.510 380 I N 0.000 120.567 120.570 -0.005 0.000 2.984 380 I HA 0.000 4.222 4.170 0.086 0.000 0.288 380 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 380 I CB 0.000 37.999 38.000 -0.002 0.000 1.214 380 I HN 0.000 nan 8.210 nan 0.000 0.494