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 1rf4_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.079 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.089 0.000 0.988 1 M CB 0.000 32.509 32.600 -0.152 0.000 1.302 2 K N 2.039 122.389 120.400 -0.083 0.000 2.258 2 K HA 0.585 4.905 4.320 -0.000 0.000 0.284 2 K C -1.662 174.895 176.600 -0.071 0.000 1.051 2 K CA -0.553 55.700 56.287 -0.057 0.000 0.923 2 K CB 0.792 33.266 32.500 -0.044 0.000 1.046 2 K HN 0.661 nan 8.250 nan 0.000 0.474 3 L N 4.181 125.389 121.223 -0.026 0.000 2.334 3 L HA 0.296 4.636 4.340 -0.000 0.000 0.277 3 L C -0.200 176.682 176.870 0.020 0.000 1.075 3 L CA -0.327 54.520 54.840 0.011 0.000 0.804 3 L CB 1.086 43.194 42.059 0.081 0.000 1.174 3 L HN 0.555 nan 8.230 nan 0.000 0.438 4 K N 0.795 121.214 120.400 0.031 0.000 2.489 4 K HA 0.302 4.622 4.320 -0.000 0.000 0.278 4 K C 0.223 176.840 176.600 0.029 0.000 1.000 4 K CA 0.271 56.569 56.287 0.020 0.000 1.012 4 K CB 0.226 32.734 32.500 0.013 0.000 0.903 4 K HN 0.625 nan 8.250 nan 0.000 0.485 5 T N 1.482 116.047 114.554 0.018 0.000 2.910 5 T HA 0.290 4.640 4.350 -0.000 0.000 0.287 5 T C -0.608 174.102 174.700 0.017 0.000 1.050 5 T CA -0.885 61.229 62.100 0.024 0.000 1.011 5 T CB 0.507 69.391 68.868 0.027 0.000 1.195 5 T HN 0.851 nan 8.240 nan 0.000 0.540 6 N N 1.435 120.149 118.700 0.022 0.000 2.666 6 N HA -0.177 4.563 4.740 -0.000 0.000 0.274 6 N C -0.873 174.645 175.510 0.013 0.000 1.043 6 N CA -0.242 52.821 53.050 0.022 0.000 0.782 6 N CB -0.673 37.830 38.487 0.027 0.000 0.912 6 N HN 0.312 nan 8.380 nan 0.000 0.556 7 I N 1.984 122.555 120.570 0.002 0.000 2.472 7 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 7 I C 1.636 177.755 176.117 0.004 0.000 1.016 7 I CA -0.223 61.060 61.300 -0.028 0.000 1.348 7 I CB 1.445 39.410 38.000 -0.058 0.000 1.417 7 I HN 0.288 nan 8.210 nan 0.000 0.521 8 R N 4.506 125.021 120.500 0.025 0.000 2.308 8 R HA 0.208 4.548 4.340 -0.000 0.000 0.202 8 R C -0.331 176.110 176.300 0.235 0.000 0.898 8 R CA 0.292 56.474 56.100 0.136 0.000 1.046 8 R CB -0.322 30.101 30.300 0.205 0.000 1.026 8 R HN 0.821 nan 8.270 nan 0.000 0.512 9 H N -2.147 116.954 119.070 0.051 0.000 3.081 9 H HA 0.317 4.873 4.556 -0.000 0.000 0.322 9 H C -1.480 173.871 175.328 0.038 0.000 1.266 9 H CA -0.763 55.335 56.048 0.084 0.000 1.279 9 H CB 0.538 30.442 29.762 0.237 0.000 1.954 9 H HN -0.136 nan 8.280 nan 0.000 0.530 10 L N 3.221 124.379 121.223 -0.109 0.000 2.404 10 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 10 L C -1.159 175.490 176.870 -0.369 0.000 0.980 10 L CA -0.351 54.380 54.840 -0.181 0.000 0.836 10 L CB 1.550 43.529 42.059 -0.134 0.000 1.238 10 L HN 0.657 nan 8.230 nan 0.000 0.408 11 H N 1.521 120.593 119.070 0.004 0.000 2.894 11 H HA 0.885 5.441 4.556 -0.000 0.000 0.367 11 H C 0.049 175.355 175.328 -0.036 0.000 1.144 11 H CA -0.416 55.639 56.048 0.012 0.000 1.180 11 H CB 2.397 32.198 29.762 0.066 0.000 1.758 11 H HN 0.754 nan 8.280 nan 0.000 0.541 12 G N 0.651 109.485 108.800 0.057 0.000 2.361 12 G HA2 0.216 4.176 3.960 -0.000 0.000 0.305 12 G HA3 0.216 4.176 3.960 -0.000 0.000 0.305 12 G C -1.815 173.053 174.900 -0.054 0.000 1.367 12 G CA -0.998 44.095 45.100 -0.011 0.000 0.951 12 G HN 0.537 nan 8.290 nan 0.000 0.615 13 I N 0.797 121.331 120.570 -0.060 0.000 2.404 13 I HA 0.516 4.686 4.170 -0.000 0.000 0.293 13 I C -0.437 175.621 176.117 -0.099 0.000 0.992 13 I CA -0.948 60.316 61.300 -0.061 0.000 1.149 13 I CB 1.665 39.648 38.000 -0.028 0.000 1.315 13 I HN 0.232 nan 8.210 nan 0.000 0.446 14 I N 5.913 126.414 120.570 -0.114 0.000 2.545 14 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 14 I C -0.119 175.980 176.117 -0.029 0.000 1.040 14 I CA -0.701 60.522 61.300 -0.128 0.000 1.068 14 I CB 2.034 39.843 38.000 -0.318 0.000 1.251 14 I HN 0.531 nan 8.210 nan 0.000 0.424 15 R N 4.558 125.062 120.500 0.005 0.000 2.332 15 R HA 0.406 4.745 4.340 -0.000 0.000 0.306 15 R C -0.277 176.054 176.300 0.051 0.000 1.117 15 R CA -0.531 55.586 56.100 0.029 0.000 1.108 15 R CB 1.382 31.693 30.300 0.019 0.000 1.126 15 R HN 0.547 nan 8.270 nan 0.000 0.548 16 V N 1.054 121.013 119.914 0.075 0.000 3.032 16 V HA 0.170 4.290 4.120 -0.000 0.000 0.307 16 V C -1.541 174.503 176.094 -0.083 0.000 1.097 16 V CA -1.350 60.959 62.300 0.015 0.000 1.191 16 V CB -0.182 31.674 31.823 0.054 0.000 0.964 16 V HN 0.509 nan 8.190 nan 0.000 0.494 17 P HA 0.179 nan 4.420 nan 0.000 0.272 17 P C 0.430 177.665 177.300 -0.107 0.000 1.254 17 P CA 0.291 63.304 63.100 -0.145 0.000 0.795 17 P CB 0.149 31.731 31.700 -0.196 0.000 1.022 18 G N 0.086 108.845 108.800 -0.069 0.000 2.554 18 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.238 18 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.238 18 G C -0.034 174.823 174.900 -0.072 0.000 1.259 18 G CA -0.273 44.794 45.100 -0.055 0.000 0.843 18 G HN 0.608 nan 8.290 nan 0.000 0.582 19 D N 0.878 121.239 120.400 -0.065 0.000 2.472 19 D HA -0.042 4.597 4.640 -0.000 0.000 0.248 19 D C 1.268 177.514 176.300 -0.091 0.000 1.174 19 D CA 0.101 54.056 54.000 -0.076 0.000 0.883 19 D CB 0.706 41.441 40.800 -0.109 0.000 1.149 19 D HN 0.487 nan 8.370 nan 0.000 0.488 20 K N 2.151 122.508 120.400 -0.071 0.000 2.057 20 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 20 K C 1.933 178.503 176.600 -0.049 0.000 1.049 20 K CA 1.102 57.326 56.287 -0.104 0.000 0.931 20 K CB 0.118 32.590 32.500 -0.046 0.000 0.714 20 K HN 0.265 nan 8.250 nan 0.000 0.440 21 S N 0.909 116.623 115.700 0.024 0.000 2.368 21 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 21 S C 1.856 176.475 174.600 0.032 0.000 1.030 21 S CA 1.415 59.672 58.200 0.096 0.000 0.999 21 S CB -0.229 63.028 63.200 0.095 0.000 0.844 21 S HN 0.284 nan 8.310 nan 0.000 0.459 22 I N 1.135 121.624 120.570 -0.135 0.000 2.353 22 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 22 I C 2.358 178.479 176.117 0.008 0.000 1.119 22 I CA 0.729 61.978 61.300 -0.085 0.000 1.417 22 I CB -0.375 37.527 38.000 -0.163 0.000 1.078 22 I HN 0.206 nan 8.210 nan 0.000 0.421 23 S N -0.334 115.341 115.700 -0.042 0.000 2.356 23 S HA -0.229 4.241 4.470 -0.000 0.000 0.223 23 S C 1.870 176.458 174.600 -0.020 0.000 1.032 23 S CA 1.365 59.530 58.200 -0.058 0.000 1.005 23 S CB -0.499 62.617 63.200 -0.140 0.000 0.867 23 S HN 0.503 nan 8.310 nan 0.000 0.449 24 H N 0.958 120.034 119.070 0.010 0.000 2.290 24 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 24 H C 2.546 177.877 175.328 0.005 0.000 1.087 24 H CA 1.666 57.721 56.048 0.012 0.000 1.291 24 H CB 0.011 29.794 29.762 0.034 0.000 1.369 24 H HN 0.214 nan 8.280 nan 0.000 0.492 25 R N 0.256 120.889 120.500 0.222 0.000 2.096 25 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 25 R C 2.677 179.107 176.300 0.216 0.000 1.127 25 R CA 1.347 57.597 56.100 0.251 0.000 0.968 25 R CB -0.227 30.319 30.300 0.411 0.000 0.861 25 R HN 0.391 nan 8.270 nan 0.000 0.440 26 S N 0.837 116.627 115.700 0.150 0.000 2.383 26 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 26 S C 1.968 176.579 174.600 0.018 0.000 1.030 26 S CA 1.000 59.280 58.200 0.132 0.000 1.002 26 S CB -0.198 63.068 63.200 0.110 0.000 0.829 26 S HN 0.125 nan 8.310 nan 0.000 0.467 27 I N 1.699 122.219 120.570 -0.084 0.000 2.406 27 I HA 0.041 4.211 4.170 -0.000 0.000 0.249 27 I C 2.423 178.186 176.117 -0.590 0.000 1.122 27 I CA 0.627 61.772 61.300 -0.257 0.000 1.431 27 I CB -1.150 36.721 38.000 -0.215 0.000 1.087 27 I HN 0.352 nan 8.210 nan 0.000 0.424 28 I N 0.236 120.462 120.570 -0.573 0.000 2.133 28 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 28 I C 2.566 178.291 176.117 -0.653 0.000 1.074 28 I CA 1.623 62.422 61.300 -0.834 0.000 1.342 28 I CB -0.531 37.004 38.000 -0.776 0.000 1.053 28 I HN 0.002 nan 8.210 nan 0.000 0.404 29 F N 1.110 120.776 119.950 -0.474 0.000 2.126 29 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 29 F C 2.611 178.124 175.800 -0.477 0.000 1.096 29 F CA 1.554 59.163 58.000 -0.653 0.000 1.255 29 F CB -1.036 37.084 39.000 -1.466 0.000 0.997 29 F HN 0.053 nan 8.300 nan 0.000 0.479 30 G N -1.030 107.713 108.800 -0.094 0.000 2.442 30 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 30 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 30 G C 1.823 176.716 174.900 -0.011 0.000 1.141 30 G CA 1.189 46.355 45.100 0.112 0.000 0.763 30 G HN 0.340 nan 8.290 nan 0.000 0.554 31 S N 0.258 115.838 115.700 -0.201 0.000 2.368 31 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 31 S C 2.214 176.785 174.600 -0.048 0.000 1.029 31 S CA 0.632 58.731 58.200 -0.168 0.000 0.988 31 S CB -0.190 62.758 63.200 -0.419 0.000 0.838 31 S HN 0.296 nan 8.310 nan 0.000 0.462 32 L N 0.847 122.020 121.223 -0.084 0.000 2.395 32 L HA 0.135 4.475 4.340 -0.000 0.000 0.218 32 L C 1.313 178.223 176.870 0.067 0.000 1.130 32 L CA -0.070 54.766 54.840 -0.007 0.000 0.826 32 L CB -0.609 41.414 42.059 -0.059 0.000 0.941 32 L HN 0.206 nan 8.230 nan 0.000 0.451 33 A N 0.341 123.229 122.820 0.112 0.000 2.267 33 A HA 0.316 4.636 4.320 -0.000 0.000 0.271 33 A C 0.049 177.711 177.584 0.130 0.000 1.131 33 A CA -0.291 51.857 52.037 0.185 0.000 0.818 33 A CB 0.310 19.519 19.000 0.348 0.000 1.118 33 A HN 0.211 nan 8.150 nan 0.000 0.501 34 E N -0.740 119.535 120.200 0.124 0.000 2.195 34 E HA 0.524 4.874 4.350 -0.000 0.000 0.271 34 E C 0.155 176.803 176.600 0.079 0.000 0.923 34 E CA 0.034 56.486 56.400 0.087 0.000 0.790 34 E CB 1.604 31.349 29.700 0.074 0.000 1.155 34 E HN 1.429 nan 8.360 nan 0.000 0.402 35 G N 2.119 110.955 108.800 0.060 0.000 2.710 35 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.668 35 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.668 35 G C -0.613 174.318 174.900 0.052 0.000 1.320 35 G CA -0.379 44.749 45.100 0.047 0.000 0.860 35 G HN 0.690 nan 8.290 nan 0.000 0.538 36 E N -1.299 118.924 120.200 0.038 0.000 2.283 36 E HA 0.740 5.090 4.350 -0.000 0.000 0.267 36 E C -0.481 176.144 176.600 0.042 0.000 1.045 36 E CA -0.555 55.868 56.400 0.038 0.000 0.884 36 E CB 1.691 31.404 29.700 0.022 0.000 1.106 36 E HN 0.440 nan 8.360 nan 0.000 0.408 37 T N 1.780 116.366 114.554 0.053 0.000 2.824 37 T HA 0.343 4.693 4.350 -0.000 0.000 0.282 37 T C -0.850 173.863 174.700 0.020 0.000 0.993 37 T CA -0.854 61.287 62.100 0.068 0.000 0.967 37 T CB 1.105 70.084 68.868 0.184 0.000 0.960 37 T HN 0.342 nan 8.240 nan 0.000 0.441 38 K N 2.322 122.725 120.400 0.004 0.000 2.323 38 K HA 0.676 4.996 4.320 -0.000 0.000 0.259 38 K C -1.102 175.413 176.600 -0.142 0.000 0.947 38 K CA -0.786 55.431 56.287 -0.118 0.000 0.819 38 K CB 2.088 34.513 32.500 -0.124 0.000 1.109 38 K HN 0.290 nan 8.250 nan 0.000 0.429 39 V N 4.004 123.766 119.914 -0.253 0.000 2.384 39 V HA 0.349 4.469 4.120 -0.000 0.000 0.287 39 V C -1.003 174.912 176.094 -0.299 0.000 1.020 39 V CA -0.963 61.257 62.300 -0.133 0.000 0.850 39 V CB 0.392 32.189 31.823 -0.044 0.000 0.987 39 V HN 0.573 nan 8.190 nan 0.000 0.436 40 Y N 1.905 122.206 120.300 0.001 0.000 2.420 40 Y HA 0.454 5.004 4.550 -0.000 0.000 0.334 40 Y C 0.892 176.788 175.900 -0.007 0.000 1.094 40 Y CA -1.049 57.048 58.100 -0.004 0.000 1.126 40 Y CB 0.985 39.441 38.460 -0.007 0.000 1.217 40 Y HN 0.763 nan 8.280 nan 0.000 0.462 41 D N 0.520 120.993 120.400 0.123 0.000 2.837 41 D HA -0.258 4.382 4.640 -0.000 0.000 0.230 41 D C -0.111 176.204 176.300 0.024 0.000 1.152 41 D CA 0.623 54.661 54.000 0.064 0.000 0.736 41 D CB -1.015 39.825 40.800 0.067 0.000 1.084 41 D HN 0.544 nan 8.370 nan 0.000 0.429 42 I N 0.331 120.903 120.570 0.004 0.000 2.836 42 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 42 I C 0.793 176.888 176.117 -0.036 0.000 1.174 42 I CA -0.282 61.004 61.300 -0.023 0.000 1.405 42 I CB 0.608 38.584 38.000 -0.039 0.000 1.385 42 I HN 0.069 nan 8.210 nan 0.000 0.594 43 L N 7.707 128.893 121.223 -0.061 0.000 2.360 43 L HA 0.208 4.548 4.340 -0.000 0.000 0.276 43 L C 0.504 177.334 176.870 -0.066 0.000 1.121 43 L CA -0.110 54.688 54.840 -0.071 0.000 0.845 43 L CB 0.144 42.139 42.059 -0.107 0.000 1.143 43 L HN 0.708 nan 8.230 nan 0.000 0.452 44 R N 3.909 124.387 120.500 -0.037 0.000 2.702 44 R HA 0.185 4.525 4.340 -0.000 0.000 0.314 44 R C 0.486 176.776 176.300 -0.017 0.000 1.152 44 R CA -0.219 55.866 56.100 -0.025 0.000 1.097 44 R CB 0.542 30.840 30.300 -0.004 0.000 1.343 44 R HN 0.775 nan 8.270 nan 0.000 0.575 45 G N 0.428 109.206 108.800 -0.037 0.000 2.606 45 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.252 45 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.252 45 G C 0.794 175.672 174.900 -0.036 0.000 1.206 45 G CA -0.459 44.624 45.100 -0.028 0.000 0.861 45 G HN 0.109 nan 8.290 nan 0.000 0.561 46 E N 0.419 120.605 120.200 -0.024 0.000 2.118 46 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 46 E C 1.919 178.511 176.600 -0.013 0.000 0.992 46 E CA 1.359 57.750 56.400 -0.016 0.000 0.804 46 E CB -0.072 29.621 29.700 -0.012 0.000 0.741 46 E HN 0.510 nan 8.360 nan 0.000 0.458 47 D N 0.229 120.616 120.400 -0.021 0.000 2.117 47 D HA -0.105 4.534 4.640 -0.000 0.000 0.197 47 D C 2.120 178.486 176.300 0.110 0.000 0.987 47 D CA 0.659 54.695 54.000 0.060 0.000 0.829 47 D CB -0.193 40.663 40.800 0.093 0.000 0.961 47 D HN 0.010 nan 8.370 nan 0.000 0.460 48 V N 0.916 120.775 119.914 -0.092 0.000 2.358 48 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 48 V C 2.551 178.641 176.094 -0.006 0.000 1.047 48 V CA 1.017 63.225 62.300 -0.154 0.000 1.035 48 V CB -0.437 31.248 31.823 -0.229 0.000 0.658 48 V HN 0.231 nan 8.190 nan 0.000 0.452 49 L N -0.277 120.942 121.223 -0.008 0.000 2.131 49 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 49 L C 2.595 179.483 176.870 0.029 0.000 1.092 49 L CA 1.442 56.288 54.840 0.010 0.000 0.759 49 L CB -0.697 41.364 42.059 0.003 0.000 0.903 49 L HN 0.310 nan 8.230 nan 0.000 0.435 50 S N -0.718 115.003 115.700 0.035 0.000 2.368 50 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 50 S C 2.038 176.668 174.600 0.050 0.000 1.030 50 S CA 1.816 60.028 58.200 0.020 0.000 0.999 50 S CB -0.232 62.969 63.200 0.001 0.000 0.844 50 S HN 0.432 nan 8.310 nan 0.000 0.459 51 T N 2.594 117.223 114.554 0.126 0.000 2.746 51 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 51 T C 1.834 176.687 174.700 0.254 0.000 1.039 51 T CA 1.211 63.435 62.100 0.206 0.000 1.142 51 T CB -0.318 68.747 68.868 0.327 0.000 0.866 51 T HN 0.330 nan 8.240 nan 0.000 0.444 52 M N 0.717 120.409 119.600 0.155 0.000 2.080 52 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 52 M C 2.591 178.969 176.300 0.131 0.000 1.068 52 M CA 1.580 56.958 55.300 0.130 0.000 1.109 52 M CB -0.418 32.214 32.600 0.054 0.000 1.342 52 M HN 0.109 nan 8.290 nan 0.000 0.405 53 Q N 0.548 120.393 119.800 0.075 0.000 2.170 53 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 53 Q C 1.779 177.792 176.000 0.021 0.000 0.976 53 Q CA 1.495 57.322 55.803 0.041 0.000 0.858 53 Q CB -0.403 28.344 28.738 0.015 0.000 0.907 53 Q HN 0.377 nan 8.270 nan 0.000 0.433 54 V N 0.051 119.966 119.914 0.001 0.000 2.295 54 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 54 V C 1.821 177.802 176.094 -0.188 0.000 1.049 54 V CA 1.893 64.120 62.300 -0.122 0.000 1.024 54 V CB -0.635 31.059 31.823 -0.215 0.000 0.648 54 V HN 0.324 nan 8.190 nan 0.000 0.447 55 F N -0.074 119.854 119.950 -0.037 0.000 2.259 55 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 55 F C 2.556 178.341 175.800 -0.024 0.000 1.088 55 F CA 1.174 59.153 58.000 -0.035 0.000 1.358 55 F CB -0.386 38.587 39.000 -0.045 0.000 1.040 55 F HN -0.051 nan 8.300 nan 0.000 0.505 56 R N 0.269 120.844 120.500 0.126 0.000 2.081 56 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 56 R C 1.619 177.931 176.300 0.019 0.000 1.131 56 R CA 1.624 57.763 56.100 0.065 0.000 0.960 56 R CB -0.486 29.842 30.300 0.047 0.000 0.856 56 R HN 0.202 nan 8.270 nan 0.000 0.436 57 D N 0.317 120.711 120.400 -0.010 0.000 2.218 57 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 57 D C 1.180 177.442 176.300 -0.064 0.000 0.976 57 D CA 0.872 54.849 54.000 -0.039 0.000 0.853 57 D CB 0.067 40.837 40.800 -0.050 0.000 0.939 57 D HN 0.047 nan 8.370 nan 0.000 0.481 58 L N -0.658 120.525 121.223 -0.067 0.000 2.612 58 L HA 0.260 4.600 4.340 -0.000 0.000 0.230 58 L C 1.689 178.546 176.870 -0.022 0.000 1.140 58 L CA 0.492 55.292 54.840 -0.067 0.000 0.896 58 L CB -0.523 41.486 42.059 -0.082 0.000 1.065 58 L HN 0.179 nan 8.230 nan 0.000 0.447 59 G N -1.348 107.447 108.800 -0.008 0.000 2.176 59 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.232 59 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.232 59 G C 0.262 175.185 174.900 0.038 0.000 0.986 59 G CA 0.090 45.193 45.100 0.005 0.000 0.643 59 G HN 0.110 nan 8.290 nan 0.000 0.522 60 V N 1.223 121.182 119.914 0.074 0.000 2.546 60 V HA 0.385 4.505 4.120 -0.000 0.000 0.284 60 V C 0.609 176.738 176.094 0.060 0.000 1.050 60 V CA -0.466 61.886 62.300 0.086 0.000 0.981 60 V CB 1.574 33.487 31.823 0.150 0.000 0.990 60 V HN 0.365 nan 8.190 nan 0.000 0.474 61 E N 5.059 125.282 120.200 0.040 0.000 2.180 61 E HA 0.432 4.782 4.350 -0.000 0.000 0.283 61 E C -0.863 175.748 176.600 0.020 0.000 1.061 61 E CA -0.043 56.373 56.400 0.026 0.000 0.861 61 E CB 0.965 30.676 29.700 0.018 0.000 1.056 61 E HN 0.523 nan 8.360 nan 0.000 0.407 62 I N 3.125 123.706 120.570 0.018 0.000 2.448 62 I HA 0.167 4.337 4.170 -0.000 0.000 0.281 62 I C -0.186 175.930 176.117 -0.002 0.000 1.027 62 I CA -0.438 60.865 61.300 0.006 0.000 1.111 62 I CB 1.453 39.462 38.000 0.014 0.000 1.236 62 I HN 0.455 nan 8.210 nan 0.000 0.452 63 E N 5.529 125.722 120.200 -0.013 0.000 2.175 63 E HA 0.196 4.546 4.350 -0.000 0.000 0.278 63 E C -1.249 175.333 176.600 -0.030 0.000 0.969 63 E CA -0.563 55.827 56.400 -0.016 0.000 0.796 63 E CB 1.604 31.294 29.700 -0.016 0.000 1.104 63 E HN 0.417 nan 8.360 nan 0.000 0.395 64 D N 4.775 125.161 120.400 -0.024 0.000 2.460 64 D HA 0.222 4.862 4.640 -0.000 0.000 0.232 64 D C -1.306 174.979 176.300 -0.025 0.000 1.079 64 D CA -0.315 53.666 54.000 -0.031 0.000 0.864 64 D CB 0.496 41.283 40.800 -0.021 0.000 1.048 64 D HN 0.325 nan 8.370 nan 0.000 0.523 65 K N 2.873 123.253 120.400 -0.033 0.000 2.443 65 K HA 0.258 4.578 4.320 -0.000 0.000 0.252 65 K C -0.739 175.849 176.600 -0.021 0.000 0.933 65 K CA -0.485 55.789 56.287 -0.021 0.000 0.792 65 K CB 0.987 33.476 32.500 -0.018 0.000 1.185 65 K HN 0.104 nan 8.250 nan 0.000 0.425 66 D N 3.179 123.574 120.400 -0.008 0.000 2.737 66 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 66 D C 0.645 176.946 176.300 0.001 0.000 1.155 66 D CA 1.881 55.882 54.000 0.001 0.000 0.667 66 D CB -1.180 39.624 40.800 0.008 0.000 1.060 66 D HN 1.098 nan 8.370 nan 0.000 0.427 67 G N -2.370 106.425 108.800 -0.009 0.000 2.179 67 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 67 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 67 G C 0.288 175.160 174.900 -0.047 0.000 0.977 67 G CA 0.333 45.427 45.100 -0.010 0.000 0.641 67 G HN 0.633 nan 8.290 nan 0.000 0.533 68 V N 2.143 122.003 119.914 -0.091 0.000 2.555 68 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 68 V C 0.246 176.228 176.094 -0.186 0.000 1.038 68 V CA -1.191 60.977 62.300 -0.219 0.000 0.887 68 V CB 1.941 33.594 31.823 -0.283 0.000 0.991 68 V HN 0.200 nan 8.190 nan 0.000 0.434 69 I N 3.298 123.737 120.570 -0.219 0.000 2.315 69 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 69 I C 0.337 176.367 176.117 -0.146 0.000 1.006 69 I CA 0.145 61.362 61.300 -0.139 0.000 1.265 69 I CB 1.222 39.160 38.000 -0.103 0.000 1.387 69 I HN 0.579 nan 8.210 nan 0.000 0.475 70 T N 6.135 120.632 114.554 -0.094 0.000 2.779 70 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 70 T C -0.030 174.650 174.700 -0.034 0.000 0.987 70 T CA -0.434 61.625 62.100 -0.068 0.000 0.966 70 T CB 1.906 70.743 68.868 -0.053 0.000 0.933 70 T HN 0.229 nan 8.240 nan 0.000 0.442 71 V N 4.323 124.227 119.914 -0.018 0.000 2.459 71 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 71 V C -0.332 175.771 176.094 0.015 0.000 1.029 71 V CA -0.976 61.321 62.300 -0.005 0.000 0.874 71 V CB 1.848 33.664 31.823 -0.012 0.000 0.985 71 V HN 0.712 nan 8.190 nan 0.000 0.438 72 Q N 3.309 123.119 119.800 0.017 0.000 2.456 72 Q HA 0.337 4.676 4.340 -0.000 0.000 0.234 72 Q C 0.581 176.602 176.000 0.036 0.000 1.061 72 Q CA -0.117 55.702 55.803 0.027 0.000 0.896 72 Q CB 1.365 30.117 28.738 0.023 0.000 1.233 72 Q HN 0.929 nan 8.270 nan 0.000 0.506 73 G N 0.754 109.583 108.800 0.048 0.000 2.474 73 G HA2 0.176 4.136 3.960 -0.000 0.000 0.233 73 G HA3 0.176 4.136 3.960 -0.000 0.000 0.233 73 G C 0.823 175.756 174.900 0.055 0.000 1.278 73 G CA -0.144 44.990 45.100 0.057 0.000 0.861 73 G HN 0.502 nan 8.290 nan 0.000 0.567 74 V N 0.124 120.073 119.914 0.059 0.000 3.427 74 V HA 0.643 4.763 4.120 -0.000 0.000 0.305 74 V C 1.080 177.212 176.094 0.062 0.000 1.412 74 V CA 0.413 62.749 62.300 0.060 0.000 1.086 74 V CB -0.855 31.009 31.823 0.067 0.000 0.964 74 V HN 2.202 nan 8.190 nan 0.000 0.439 75 G N 0.501 109.340 108.800 0.066 0.000 2.781 75 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.683 75 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.683 75 G C -0.116 174.824 174.900 0.066 0.000 1.390 75 G CA 0.071 45.211 45.100 0.068 0.000 0.850 75 G HN 0.424 nan 8.290 nan 0.000 0.557 76 M N 0.720 120.359 119.600 0.066 0.000 2.267 76 M HA 0.191 4.671 4.480 -0.000 0.000 0.263 76 M C 2.220 178.550 176.300 0.049 0.000 1.063 76 M CA 3.035 58.370 55.300 0.058 0.000 1.090 76 M CB -0.400 32.237 32.600 0.062 0.000 1.392 76 M HN 1.702 nan 8.290 nan 0.000 0.422 77 A N -1.644 121.208 122.820 0.053 0.000 2.631 77 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 77 A C 1.485 179.113 177.584 0.073 0.000 1.156 77 A CA 0.116 52.185 52.037 0.053 0.000 0.963 77 A CB -0.883 18.143 19.000 0.044 0.000 1.202 77 A HN 0.469 nan 8.150 nan 0.000 0.523 78 G N -0.478 108.368 108.800 0.077 0.000 2.939 78 G HA2 0.341 4.301 3.960 -0.000 0.000 0.210 78 G HA3 0.341 4.301 3.960 -0.000 0.000 0.210 78 G C 0.346 175.307 174.900 0.101 0.000 1.160 78 G CA 0.021 45.169 45.100 0.081 0.000 0.770 78 G HN 0.303 nan 8.290 nan 0.000 0.543 79 L N 1.191 122.495 121.223 0.134 0.000 2.490 79 L HA 0.282 4.622 4.340 -0.000 0.000 0.274 79 L C 0.407 177.401 176.870 0.207 0.000 1.201 79 L CA 0.232 55.174 54.840 0.169 0.000 0.869 79 L CB 0.716 42.892 42.059 0.195 0.000 1.123 79 L HN 0.086 nan 8.230 nan 0.000 0.484 80 K N 1.981 122.404 120.400 0.039 0.000 2.208 80 K HA 0.695 5.015 4.320 -0.000 0.000 0.247 80 K C -0.385 175.821 176.600 -0.657 0.000 0.953 80 K CA -0.941 55.228 56.287 -0.197 0.000 0.837 80 K CB 1.450 33.867 32.500 -0.137 0.000 1.131 80 K HN 0.672 nan 8.250 nan 0.000 0.431 81 A N 3.939 126.033 122.820 -1.210 0.000 2.545 81 A HA 0.123 4.443 4.320 -0.000 0.000 0.253 81 A C -1.868 175.379 177.584 -0.561 0.000 1.074 81 A CA -0.679 50.522 52.037 -1.394 0.000 0.760 81 A CB -0.765 17.675 19.000 -0.934 0.000 1.005 81 A HN 0.434 nan 8.150 nan 0.000 0.506 82 P HA 0.097 nan 4.420 nan 0.000 0.274 82 P C 0.326 177.553 177.300 -0.123 0.000 1.231 82 P CA -0.307 62.688 63.100 -0.175 0.000 0.790 82 P CB 0.924 32.564 31.700 -0.099 0.000 0.951 83 Q N 1.455 121.205 119.800 -0.083 0.000 2.172 83 Q HA -0.012 4.328 4.340 -0.000 0.000 0.200 83 Q C -0.023 175.957 176.000 -0.033 0.000 0.964 83 Q CA 1.565 57.333 55.803 -0.057 0.000 0.855 83 Q CB -0.415 28.297 28.738 -0.043 0.000 0.918 83 Q HN 0.403 nan 8.270 nan 0.000 0.444 84 N N -0.361 118.330 118.700 -0.016 0.000 3.102 84 N HA 0.564 5.304 4.740 -0.000 0.000 0.299 84 N C -1.256 174.281 175.510 0.044 0.000 1.482 84 N CA -0.189 52.866 53.050 0.009 0.000 0.785 84 N CB 1.117 39.617 38.487 0.021 0.000 1.680 84 N HN 0.217 nan 8.380 nan 0.000 0.594 85 A N 0.586 123.458 122.820 0.087 0.000 2.462 85 A HA 0.360 4.680 4.320 -0.000 0.000 0.243 85 A C 0.171 177.920 177.584 0.275 0.000 1.076 85 A CA -0.122 52.026 52.037 0.185 0.000 0.773 85 A CB -0.381 18.733 19.000 0.191 0.000 1.010 85 A HN 0.507 nan 8.150 nan 0.000 0.493 86 L N 2.560 123.877 121.223 0.157 0.000 2.361 86 L HA 0.124 4.464 4.340 -0.000 0.000 0.278 86 L C 0.553 177.285 176.870 -0.231 0.000 1.113 86 L CA -0.429 54.406 54.840 -0.008 0.000 0.849 86 L CB 0.143 42.154 42.059 -0.081 0.000 1.155 86 L HN 0.706 nan 8.230 nan 0.000 0.452 87 N N 4.441 122.930 118.700 -0.352 0.000 2.482 87 N HA 0.126 4.866 4.740 -0.000 0.000 0.242 87 N C 0.598 175.797 175.510 -0.518 0.000 1.100 87 N CA -0.286 52.257 53.050 -0.845 0.000 0.946 87 N CB 0.891 39.135 38.487 -0.405 0.000 1.227 87 N HN 0.524 nan 8.380 nan 0.000 0.508 88 M N 1.756 121.032 119.600 -0.540 0.000 2.619 88 M HA 0.123 4.603 4.480 -0.000 0.000 0.251 88 M C 1.510 177.682 176.300 -0.213 0.000 1.106 88 M CA 0.347 55.474 55.300 -0.288 0.000 1.086 88 M CB -1.570 30.894 32.600 -0.227 0.000 1.465 88 M HN 0.643 nan 8.290 nan 0.000 0.506 89 G N 2.168 110.810 108.800 -0.263 0.000 2.629 89 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.313 89 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.313 89 G C 0.725 175.580 174.900 -0.075 0.000 1.217 89 G CA 0.650 45.671 45.100 -0.132 0.000 0.994 89 G HN 0.491 nan 8.290 nan 0.000 0.549 90 N N 1.010 119.685 118.700 -0.042 0.000 2.254 90 N HA 0.085 4.825 4.740 -0.000 0.000 0.190 90 N C 0.837 176.337 175.510 -0.018 0.000 1.107 90 N CA 1.169 54.208 53.050 -0.018 0.000 0.869 90 N CB 0.216 38.698 38.487 -0.008 0.000 0.983 90 N HN 0.582 nan 8.380 nan 0.000 0.487 91 S N -0.084 115.600 115.700 -0.027 0.000 2.414 91 S HA 0.322 4.792 4.470 -0.000 0.000 0.290 91 S C 1.313 175.873 174.600 -0.065 0.000 1.160 91 S CA -0.330 57.854 58.200 -0.026 0.000 1.069 91 S CB 0.401 63.600 63.200 -0.001 0.000 1.012 91 S HN 0.378 nan 8.310 nan 0.000 0.510 92 G N 3.762 112.540 108.800 -0.037 0.000 2.422 92 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 92 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 92 G C 1.331 176.186 174.900 -0.076 0.000 1.140 92 G CA 1.047 46.124 45.100 -0.039 0.000 0.775 92 G HN 0.682 nan 8.290 nan 0.000 0.545 93 T N 1.263 115.748 114.554 -0.115 0.000 2.720 93 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 93 T C 2.843 177.372 174.700 -0.284 0.000 1.037 93 T CA 1.584 63.569 62.100 -0.193 0.000 1.144 93 T CB -0.240 68.457 68.868 -0.284 0.000 0.864 93 T HN 0.267 nan 8.240 nan 0.000 0.444 94 S N 0.947 116.429 115.700 -0.364 0.000 2.343 94 S HA -0.004 4.466 4.470 -0.000 0.000 0.219 94 S C 2.009 176.514 174.600 -0.157 0.000 1.033 94 S CA 1.022 59.065 58.200 -0.262 0.000 1.014 94 S CB -0.477 62.614 63.200 -0.182 0.000 0.915 94 S HN 0.442 nan 8.310 nan 0.000 0.435 95 I N 1.358 121.849 120.570 -0.131 0.000 2.286 95 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 95 I C 2.478 178.548 176.117 -0.079 0.000 1.115 95 I CA 1.202 62.440 61.300 -0.105 0.000 1.392 95 I CB -0.019 37.929 38.000 -0.087 0.000 1.065 95 I HN 0.191 nan 8.210 nan 0.000 0.418 96 R N 0.338 120.799 120.500 -0.065 0.000 2.057 96 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 96 R C 2.246 178.536 176.300 -0.016 0.000 1.136 96 R CA 1.263 57.342 56.100 -0.035 0.000 0.952 96 R CB -0.547 29.743 30.300 -0.017 0.000 0.848 96 R HN 0.384 nan 8.270 nan 0.000 0.430 97 L N 0.645 121.861 121.223 -0.011 0.000 2.056 97 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 97 L C 2.494 179.339 176.870 -0.041 0.000 1.078 97 L CA 1.305 56.177 54.840 0.053 0.000 0.749 97 L CB -0.560 41.549 42.059 0.082 0.000 0.901 97 L HN 0.153 nan 8.230 nan 0.000 0.433 98 I N -0.540 119.967 120.570 -0.105 0.000 2.567 98 I HA -0.217 3.953 4.170 -0.000 0.000 0.257 98 I C 2.562 178.599 176.117 -0.132 0.000 1.184 98 I CA 0.682 61.889 61.300 -0.156 0.000 1.451 98 I CB -0.217 37.660 38.000 -0.204 0.000 1.089 98 I HN 0.171 nan 8.210 nan 0.000 0.441 99 S N 0.801 116.448 115.700 -0.090 0.000 2.382 99 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 99 S C 2.091 176.651 174.600 -0.066 0.000 1.027 99 S CA 1.472 59.626 58.200 -0.077 0.000 0.991 99 S CB -0.431 62.734 63.200 -0.058 0.000 0.823 99 S HN 0.655 nan 8.310 nan 0.000 0.469 100 G N 0.610 109.393 108.800 -0.028 0.000 2.430 100 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 100 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 100 G C 1.379 176.278 174.900 -0.003 0.000 1.146 100 G CA 0.479 45.584 45.100 0.008 0.000 0.793 100 G HN 0.413 nan 8.290 nan 0.000 0.537 101 V N 0.943 120.817 119.914 -0.067 0.000 2.490 101 V HA -0.044 4.076 4.120 -0.000 0.000 0.250 101 V C 2.562 178.590 176.094 -0.109 0.000 1.061 101 V CA 1.156 63.379 62.300 -0.129 0.000 1.064 101 V CB -0.239 31.444 31.823 -0.233 0.000 0.670 101 V HN 0.327 nan 8.190 nan 0.000 0.461 102 L N -0.075 121.067 121.223 -0.135 0.000 2.591 102 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 102 L C 2.448 179.203 176.870 -0.192 0.000 1.133 102 L CA 0.508 55.237 54.840 -0.184 0.000 0.880 102 L CB -0.581 41.361 42.059 -0.193 0.000 1.033 102 L HN 0.302 nan 8.230 nan 0.000 0.450 103 A N 0.602 123.348 122.820 -0.124 0.000 1.986 103 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 103 A C 2.165 179.677 177.584 -0.121 0.000 1.171 103 A CA 1.909 53.882 52.037 -0.107 0.000 0.640 103 A CB -0.683 18.278 19.000 -0.065 0.000 0.811 103 A HN 0.446 nan 8.150 nan 0.000 0.451 104 G N -1.574 107.153 108.800 -0.121 0.000 3.126 104 G HA2 0.427 4.387 3.960 -0.000 0.000 0.224 104 G HA3 0.427 4.387 3.960 -0.000 0.000 0.224 104 G C 0.513 175.306 174.900 -0.178 0.000 1.142 104 G CA 0.535 45.568 45.100 -0.112 0.000 0.759 104 G HN 0.761 nan 8.290 nan 0.000 0.550 105 A N 0.893 123.522 122.820 -0.320 0.000 2.451 105 A HA 0.381 4.701 4.320 -0.000 0.000 0.266 105 A C 0.014 177.217 177.584 -0.634 0.000 1.119 105 A CA -0.206 51.462 52.037 -0.616 0.000 0.786 105 A CB 0.228 18.531 19.000 -1.161 0.000 1.061 105 A HN 0.129 nan 8.150 nan 0.000 0.503 106 D N 2.773 122.970 120.400 -0.339 0.000 2.934 106 D HA 0.426 5.066 4.640 -0.000 0.000 0.237 106 D C -0.635 175.681 176.300 0.027 0.000 1.158 106 D CA 0.417 54.342 54.000 -0.125 0.000 0.971 106 D CB -0.830 39.974 40.800 0.007 0.000 1.123 106 D HN 0.390 nan 8.370 nan 0.000 0.467 107 F N -1.690 118.249 119.950 -0.019 0.000 2.770 107 F HA 0.455 4.982 4.527 -0.000 0.000 0.313 107 F C -0.932 174.853 175.800 -0.024 0.000 1.154 107 F CA -1.432 56.556 58.000 -0.020 0.000 0.923 107 F CB 0.745 39.732 39.000 -0.021 0.000 1.301 107 F HN -0.164 nan 8.300 nan 0.000 0.449 108 E N 0.935 121.297 120.200 0.271 0.000 2.222 108 E HA 0.761 5.111 4.350 -0.000 0.000 0.272 108 E C -1.802 174.934 176.600 0.226 0.000 0.982 108 E CA -1.034 55.457 56.400 0.152 0.000 0.842 108 E CB 2.297 32.043 29.700 0.077 0.000 1.144 108 E HN 0.728 nan 8.360 nan 0.000 0.397 109 V N 2.107 122.101 119.914 0.133 0.000 3.188 109 V HA 0.380 4.500 4.120 -0.000 0.000 0.305 109 V C -1.705 174.429 176.094 0.067 0.000 1.232 109 V CA -0.571 61.801 62.300 0.121 0.000 1.043 109 V CB 2.246 34.163 31.823 0.156 0.000 1.068 109 V HN 0.835 nan 8.190 nan 0.000 0.439 110 E N 3.322 123.565 120.200 0.072 0.000 2.210 110 E HA 0.619 4.969 4.350 -0.000 0.000 0.266 110 E C -1.385 175.290 176.600 0.125 0.000 0.883 110 E CA -0.682 55.767 56.400 0.082 0.000 0.761 110 E CB 1.763 31.508 29.700 0.074 0.000 1.156 110 E HN 0.677 nan 8.360 nan 0.000 0.412 111 M N 5.210 124.874 119.600 0.105 0.000 2.181 111 M HA 0.414 4.894 4.480 -0.000 0.000 0.323 111 M C -0.993 175.397 176.300 0.149 0.000 1.004 111 M CA -0.891 54.455 55.300 0.075 0.000 0.941 111 M CB 0.961 33.550 32.600 -0.018 0.000 1.579 111 M HN 0.412 nan 8.290 nan 0.000 0.427 112 F N 0.483 120.418 119.950 -0.024 0.000 2.640 112 F HA 1.068 5.595 4.527 -0.000 0.000 0.324 112 F C -0.311 175.481 175.800 -0.014 0.000 1.077 112 F CA -0.861 57.130 58.000 -0.016 0.000 0.965 112 F CB 1.264 40.257 39.000 -0.012 0.000 1.351 112 F HN 0.563 nan 8.300 nan 0.000 0.487 113 G N -0.195 108.618 108.800 0.021 0.000 2.870 113 G HA2 0.482 4.441 3.960 -0.000 0.000 0.299 113 G HA3 0.482 4.441 3.960 -0.000 0.000 0.299 113 G C -2.013 172.942 174.900 0.093 0.000 1.324 113 G CA -0.525 44.526 45.100 -0.083 0.000 0.808 113 G HN 0.917 nan 8.290 nan 0.000 0.535 114 D N -1.032 119.396 120.400 0.047 0.000 2.411 114 D HA 0.231 4.871 4.640 -0.000 0.000 0.251 114 D C 1.164 177.507 176.300 0.071 0.000 1.201 114 D CA 0.096 54.142 54.000 0.077 0.000 0.996 114 D CB 0.540 41.371 40.800 0.053 0.000 1.101 114 D HN 0.366 nan 8.370 nan 0.000 0.504 115 D N -0.232 120.210 120.400 0.070 0.000 2.157 115 D HA -0.331 4.309 4.640 -0.000 0.000 0.191 115 D C 1.735 178.068 176.300 0.056 0.000 1.004 115 D CA 2.332 56.369 54.000 0.063 0.000 0.854 115 D CB -1.005 39.833 40.800 0.064 0.000 0.936 115 D HN 0.343 nan 8.370 nan 0.000 0.446 116 S N -0.235 115.500 115.700 0.059 0.000 2.359 116 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 116 S C 2.126 176.751 174.600 0.040 0.000 1.039 116 S CA 1.140 59.373 58.200 0.056 0.000 1.042 116 S CB -0.627 62.612 63.200 0.065 0.000 0.915 116 S HN 0.393 nan 8.310 nan 0.000 0.439 117 L N 1.013 122.256 121.223 0.034 0.000 2.083 117 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 117 L C 2.312 179.196 176.870 0.024 0.000 1.083 117 L CA 1.486 56.338 54.840 0.020 0.000 0.752 117 L CB -0.458 41.601 42.059 0.001 0.000 0.899 117 L HN 0.360 nan 8.230 nan 0.000 0.433 118 S N -0.534 115.189 115.700 0.038 0.000 2.547 118 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 118 S C 1.522 176.139 174.600 0.028 0.000 0.980 118 S CA 0.869 59.093 58.200 0.040 0.000 0.941 118 S CB -0.089 63.142 63.200 0.053 0.000 0.763 118 S HN 0.375 nan 8.310 nan 0.000 0.532 119 K N 0.499 120.914 120.400 0.024 0.000 2.374 119 K HA 0.176 4.496 4.320 -0.000 0.000 0.196 119 K C 0.216 176.822 176.600 0.011 0.000 1.023 119 K CA 0.104 56.400 56.287 0.015 0.000 1.103 119 K CB 0.434 32.942 32.500 0.013 0.000 0.848 119 K HN 0.193 nan 8.250 nan 0.000 0.528 120 R N 1.896 122.403 120.500 0.013 0.000 2.407 120 R HA 0.230 4.570 4.340 -0.000 0.000 0.303 120 R C -2.560 173.744 176.300 0.008 0.000 0.981 120 R CA -2.139 53.967 56.100 0.010 0.000 0.905 120 R CB 0.671 30.978 30.300 0.012 0.000 1.099 120 R HN -0.069 nan 8.270 nan 0.000 0.459 121 P HA 0.024 nan 4.420 nan 0.000 0.271 121 P C -0.234 177.069 177.300 0.003 0.000 1.216 121 P CA 0.028 63.131 63.100 0.006 0.000 0.771 121 P CB 0.914 32.618 31.700 0.007 0.000 0.864 122 M N 1.630 121.230 119.600 0.000 0.000 2.313 122 M HA 0.022 4.501 4.480 -0.000 0.000 0.273 122 M C 1.170 177.465 176.300 -0.009 0.000 1.049 122 M CA 0.320 55.616 55.300 -0.006 0.000 1.004 122 M CB -0.888 31.705 32.600 -0.010 0.000 1.461 122 M HN 0.327 nan 8.290 nan 0.000 0.514 123 D N 1.680 122.078 120.400 -0.002 0.000 2.149 123 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 123 D C 1.702 178.003 176.300 0.001 0.000 0.990 123 D CA 1.368 55.367 54.000 -0.002 0.000 0.839 123 D CB -0.691 40.113 40.800 0.007 0.000 0.948 123 D HN 0.522 nan 8.370 nan 0.000 0.460 124 R N 0.393 120.900 120.500 0.012 0.000 2.170 124 R HA -0.058 4.282 4.340 -0.000 0.000 0.242 124 R C 2.069 178.367 176.300 -0.004 0.000 1.145 124 R CA 1.262 57.379 56.100 0.029 0.000 0.984 124 R CB -0.674 29.648 30.300 0.036 0.000 0.869 124 R HN 0.264 nan 8.270 nan 0.000 0.455 125 V N 1.472 121.369 119.914 -0.028 0.000 3.523 125 V HA -0.073 4.047 4.120 -0.000 0.000 0.255 125 V C 2.132 178.173 176.094 -0.087 0.000 1.226 125 V CA 1.390 63.653 62.300 -0.062 0.000 1.092 125 V CB 0.620 32.420 31.823 -0.039 0.000 0.817 125 V HN 0.649 nan 8.190 nan 0.000 0.458 126 T N -1.711 112.805 114.554 -0.063 0.000 2.857 126 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 126 T C 1.961 176.613 174.700 -0.082 0.000 1.048 126 T CA 1.673 63.735 62.100 -0.063 0.000 1.139 126 T CB -0.379 68.466 68.868 -0.039 0.000 0.874 126 T HN 0.375 nan 8.240 nan 0.000 0.455 127 L N 2.067 123.240 121.223 -0.082 0.000 1.994 127 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 127 L C -0.172 176.589 176.870 -0.182 0.000 1.071 127 L CA 1.674 56.463 54.840 -0.085 0.000 0.745 127 L CB -0.911 41.132 42.059 -0.026 0.000 0.892 127 L HN 0.236 nan 8.230 nan 0.000 0.431 128 P HA -0.180 nan 4.420 nan 0.000 0.216 128 P C 1.949 179.084 177.300 -0.276 0.000 1.153 128 P CA 1.192 63.956 63.100 -0.559 0.000 0.844 128 P CB -0.105 30.998 31.700 -0.995 0.000 0.787 129 L N 0.218 121.322 121.223 -0.199 0.000 2.127 129 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 129 L C 2.382 179.197 176.870 -0.092 0.000 1.089 129 L CA 1.898 56.664 54.840 -0.123 0.000 0.757 129 L CB -1.439 40.562 42.059 -0.097 0.000 0.899 129 L HN 0.083 nan 8.230 nan 0.000 0.434 130 K N -0.283 120.065 120.400 -0.086 0.000 2.211 130 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 130 K C 2.013 178.586 176.600 -0.046 0.000 1.050 130 K CA 0.756 57.008 56.287 -0.058 0.000 0.945 130 K CB 0.043 32.516 32.500 -0.046 0.000 0.732 130 K HN 0.306 nan 8.250 nan 0.000 0.451 131 K N 0.442 120.808 120.400 -0.056 0.000 2.147 131 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 131 K C 1.866 178.458 176.600 -0.015 0.000 1.049 131 K CA 1.290 57.561 56.287 -0.026 0.000 0.936 131 K CB -0.044 32.444 32.500 -0.021 0.000 0.722 131 K HN 0.165 nan 8.250 nan 0.000 0.446 132 M N -0.902 118.679 119.600 -0.032 0.000 2.562 132 M HA 0.033 4.512 4.480 -0.000 0.000 0.257 132 M C 1.015 177.302 176.300 -0.022 0.000 1.099 132 M CA 0.953 56.240 55.300 -0.021 0.000 1.099 132 M CB 0.622 33.201 32.600 -0.036 0.000 1.427 132 M HN 0.449 nan 8.290 nan 0.000 0.489 133 G N 0.058 108.841 108.800 -0.028 0.000 2.192 133 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.193 133 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.193 133 G C 0.012 174.889 174.900 -0.039 0.000 0.999 133 G CA -0.467 44.617 45.100 -0.028 0.000 0.659 133 G HN 0.239 nan 8.290 nan 0.000 0.503 134 V N 1.262 121.146 119.914 -0.050 0.000 2.686 134 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 134 V C 0.981 177.044 176.094 -0.052 0.000 1.055 134 V CA 0.578 62.841 62.300 -0.061 0.000 1.050 134 V CB 1.710 33.490 31.823 -0.071 0.000 0.984 134 V HN 0.457 nan 8.190 nan 0.000 0.482 135 S N 5.645 121.314 115.700 -0.052 0.000 2.423 135 S HA 0.696 5.166 4.470 -0.000 0.000 0.317 135 S C -0.683 173.893 174.600 -0.040 0.000 1.065 135 S CA -0.536 57.641 58.200 -0.040 0.000 1.111 135 S CB -0.414 62.766 63.200 -0.033 0.000 0.968 135 S HN 0.507 nan 8.310 nan 0.000 0.474 136 I N 3.679 124.228 120.570 -0.036 0.000 2.686 136 I HA 0.564 4.734 4.170 -0.000 0.000 0.295 136 I C -0.635 175.468 176.117 -0.024 0.000 1.114 136 I CA -0.722 60.558 61.300 -0.033 0.000 1.038 136 I CB 2.560 40.535 38.000 -0.042 0.000 1.238 136 I HN 0.632 nan 8.210 nan 0.000 0.420 137 S N 2.498 118.189 115.700 -0.016 0.000 2.537 137 S HA 0.887 5.357 4.470 -0.000 0.000 0.271 137 S C -0.685 173.913 174.600 -0.004 0.000 1.148 137 S CA -0.613 57.580 58.200 -0.010 0.000 0.868 137 S CB 1.973 65.169 63.200 -0.008 0.000 1.115 137 S HN 0.975 nan 8.310 nan 0.000 0.461 138 G N 0.506 109.305 108.800 -0.002 0.000 3.262 138 G HA2 0.640 4.600 3.960 -0.000 0.000 0.229 138 G HA3 0.640 4.600 3.960 -0.000 0.000 0.229 138 G C -1.557 173.346 174.900 0.005 0.000 1.280 138 G CA -0.782 44.321 45.100 0.005 0.000 0.951 138 G HN 0.635 nan 8.290 nan 0.000 0.589 139 Q N 0.879 120.684 119.800 0.008 0.000 2.257 139 Q HA 0.541 4.881 4.340 -0.000 0.000 0.255 139 Q C 0.401 176.404 176.000 0.005 0.000 0.920 139 Q CA 0.598 56.405 55.803 0.007 0.000 0.927 139 Q CB 1.146 29.890 28.738 0.010 0.000 1.229 139 Q HN 1.255 nan 8.270 nan 0.000 0.433 140 T N -1.289 113.267 114.554 0.003 0.000 0.541 140 T HA -0.235 4.115 4.350 -0.000 0.000 0.774 140 T C 0.745 175.446 174.700 0.002 0.000 0.992 140 T CA 0.752 62.854 62.100 0.003 0.000 4.077 140 T CB -0.513 68.357 68.868 0.003 0.000 2.303 140 T HN 0.859 nan 8.240 nan 0.000 0.398 141 E N 0.483 120.684 120.200 0.002 0.000 2.409 141 E HA -0.057 4.293 4.350 -0.000 0.000 0.198 141 E C 1.859 178.461 176.600 0.003 0.000 1.024 141 E CA 0.846 57.247 56.400 0.002 0.000 0.861 141 E CB -0.123 29.578 29.700 0.003 0.000 0.788 141 E HN 0.633 nan 8.360 nan 0.000 0.521 142 R N 0.818 121.320 120.500 0.004 0.000 2.310 142 R HA 0.013 4.353 4.340 -0.000 0.000 0.202 142 R C -0.355 175.947 176.300 0.003 0.000 0.933 142 R CA 0.423 56.526 56.100 0.004 0.000 1.054 142 R CB -0.093 30.210 30.300 0.004 0.000 0.985 142 R HN 0.154 nan 8.270 nan 0.000 0.489 143 D N 1.631 122.032 120.400 0.002 0.000 2.803 143 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 143 D C -0.502 175.800 176.300 0.004 0.000 1.182 143 D CA 0.931 54.932 54.000 0.001 0.000 0.726 143 D CB -1.046 39.752 40.800 -0.004 0.000 0.987 143 D HN 0.228 nan 8.370 nan 0.000 0.412 144 L N 0.118 121.345 121.223 0.007 0.000 2.418 144 L HA 0.346 4.686 4.340 -0.000 0.000 0.265 144 L C -1.698 175.183 176.870 0.018 0.000 1.143 144 L CA -1.679 53.168 54.840 0.012 0.000 0.809 144 L CB 0.293 42.359 42.059 0.013 0.000 1.124 144 L HN -0.155 nan 8.230 nan 0.000 0.456 145 P HA 0.056 nan 4.420 nan 0.000 0.269 145 P C -2.458 174.875 177.300 0.055 0.000 1.215 145 P CA -0.785 62.340 63.100 0.042 0.000 0.780 145 P CB -0.065 31.661 31.700 0.044 0.000 0.898 146 P HA 0.168 nan 4.420 nan 0.000 0.275 146 P C -0.955 176.376 177.300 0.052 0.000 1.228 146 P CA 0.265 63.420 63.100 0.092 0.000 0.786 146 P CB 0.754 32.520 31.700 0.109 0.000 0.927 147 L N 2.519 123.770 121.223 0.048 0.000 2.330 147 L HA 0.584 4.924 4.340 -0.000 0.000 0.271 147 L C 0.953 177.837 176.870 0.023 0.000 1.013 147 L CA -0.917 53.936 54.840 0.022 0.000 0.816 147 L CB 1.664 43.725 42.059 0.004 0.000 1.287 147 L HN 0.268 nan 8.230 nan 0.000 0.435 148 R N 2.273 122.779 120.500 0.010 0.000 2.494 148 R HA 0.711 5.051 4.340 -0.000 0.000 0.305 148 R C -1.400 174.897 176.300 -0.005 0.000 0.959 148 R CA -0.686 55.420 56.100 0.010 0.000 0.864 148 R CB 2.357 32.662 30.300 0.009 0.000 1.159 148 R HN 0.497 nan 8.270 nan 0.000 0.446 149 L N 2.275 123.493 121.223 -0.008 0.000 2.422 149 L HA 0.552 4.891 4.340 -0.000 0.000 0.264 149 L C -1.475 175.367 176.870 -0.046 0.000 0.984 149 L CA -0.626 54.193 54.840 -0.035 0.000 0.819 149 L CB 1.960 43.987 42.059 -0.053 0.000 1.330 149 L HN 0.529 nan 8.230 nan 0.000 0.410 150 K N 3.316 123.674 120.400 -0.070 0.000 2.637 150 K HA 0.529 4.849 4.320 -0.000 0.000 0.248 150 K C -0.434 176.091 176.600 -0.125 0.000 0.971 150 K CA -0.447 55.785 56.287 -0.093 0.000 0.858 150 K CB 1.695 34.169 32.500 -0.043 0.000 1.170 150 K HN 0.801 nan 8.250 nan 0.000 0.443 151 G N 1.206 109.883 108.800 -0.205 0.000 2.535 151 G HA2 0.453 4.413 3.960 -0.000 0.000 0.282 151 G HA3 0.453 4.413 3.960 -0.000 0.000 0.282 151 G C -0.496 174.322 174.900 -0.136 0.000 1.350 151 G CA -0.281 44.711 45.100 -0.180 0.000 1.039 151 G HN 0.613 nan 8.290 nan 0.000 0.509 152 T N -3.060 111.429 114.554 -0.107 0.000 2.883 152 T HA 0.459 4.809 4.350 -0.000 0.000 0.301 152 T C 0.294 174.959 174.700 -0.057 0.000 1.158 152 T CA -0.935 61.123 62.100 -0.070 0.000 1.007 152 T CB 2.298 71.138 68.868 -0.046 0.000 1.186 152 T HN 0.212 nan 8.240 nan 0.000 0.499 153 K N 0.692 121.071 120.400 -0.036 0.000 2.418 153 K HA 0.134 4.454 4.320 -0.000 0.000 0.195 153 K C 0.154 176.746 176.600 -0.013 0.000 1.035 153 K CA 0.289 56.563 56.287 -0.021 0.000 1.003 153 K CB -0.060 32.435 32.500 -0.007 0.000 0.793 153 K HN 0.516 nan 8.250 nan 0.000 0.494 154 N N 1.304 119.995 118.700 -0.015 0.000 2.908 154 N HA 0.103 4.843 4.740 -0.000 0.000 0.316 154 N C -0.328 175.176 175.510 -0.010 0.000 1.619 154 N CA -0.115 52.930 53.050 -0.008 0.000 1.045 154 N CB 0.765 39.249 38.487 -0.005 0.000 1.357 154 N HN 0.084 nan 8.380 nan 0.000 0.501 155 L N 1.086 122.301 121.223 -0.014 0.000 2.453 155 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 155 L C 0.564 177.433 176.870 -0.002 0.000 1.182 155 L CA 0.167 54.998 54.840 -0.015 0.000 0.858 155 L CB 0.645 42.692 42.059 -0.020 0.000 1.120 155 L HN 0.064 nan 8.230 nan 0.000 0.474 156 R N 5.521 126.022 120.500 0.002 0.000 2.407 156 R HA 0.378 4.718 4.340 -0.000 0.000 0.303 156 R C -2.242 174.072 176.300 0.024 0.000 0.981 156 R CA -1.794 54.319 56.100 0.020 0.000 0.905 156 R CB 1.099 31.416 30.300 0.028 0.000 1.099 156 R HN 0.445 nan 8.270 nan 0.000 0.459 157 P HA -0.080 nan 4.420 nan 0.000 0.269 157 P C -0.599 176.707 177.300 0.011 0.000 1.211 157 P CA 0.005 63.109 63.100 0.007 0.000 0.781 157 P CB 0.659 32.372 31.700 0.020 0.000 0.877 158 I N 2.125 122.648 120.570 -0.079 0.000 2.378 158 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 158 I C -0.655 175.365 176.117 -0.162 0.000 0.992 158 I CA -0.888 60.385 61.300 -0.045 0.000 1.154 158 I CB 0.723 38.695 38.000 -0.046 0.000 1.315 158 I HN 0.241 nan 8.210 nan 0.000 0.448 159 H N 7.275 126.389 119.070 0.074 0.000 2.718 159 H HA 0.466 5.022 4.556 -0.000 0.000 0.295 159 H C -1.638 173.795 175.328 0.175 0.000 1.051 159 H CA -0.236 55.865 56.048 0.088 0.000 1.260 159 H CB 0.774 30.569 29.762 0.055 0.000 1.403 159 H HN 0.572 nan 8.280 nan 0.000 0.488 160 Y N 1.295 121.619 120.300 0.041 0.000 2.470 160 Y HA 0.281 4.831 4.550 -0.000 0.000 0.341 160 Y C -1.036 174.866 175.900 0.002 0.000 1.021 160 Y CA -0.836 57.277 58.100 0.022 0.000 1.025 160 Y CB 1.748 40.211 38.460 0.004 0.000 1.266 160 Y HN 0.429 nan 8.280 nan 0.000 0.448 161 E N 5.797 125.705 120.200 -0.488 0.000 2.073 161 E HA 0.229 4.579 4.350 -0.000 0.000 0.269 161 E C -1.412 174.805 176.600 -0.639 0.000 0.917 161 E CA -0.641 55.524 56.400 -0.392 0.000 0.757 161 E CB 0.764 30.300 29.700 -0.273 0.000 1.111 161 E HN 0.652 nan 8.360 nan 0.000 0.410 162 L N 6.897 127.913 121.223 -0.344 0.000 2.499 162 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 162 L C -1.088 175.681 176.870 -0.169 0.000 1.195 162 L CA -0.429 54.296 54.840 -0.192 0.000 0.882 162 L CB 0.111 42.175 42.059 0.009 0.000 1.133 162 L HN 0.377 nan 8.230 nan 0.000 0.483 163 P HA 0.029 nan 4.420 nan 0.000 0.240 163 P C -0.108 177.169 177.300 -0.037 0.000 1.190 163 P CA 0.744 63.798 63.100 -0.077 0.000 0.781 163 P CB 0.259 31.934 31.700 -0.042 0.000 0.931 164 I N -5.221 115.340 120.570 -0.015 0.000 2.828 164 I HA 0.720 4.889 4.170 -0.000 0.000 0.302 164 I C -0.311 175.801 176.117 -0.009 0.000 1.101 164 I CA -1.920 59.376 61.300 -0.007 0.000 1.031 164 I CB 2.254 40.261 38.000 0.012 0.000 1.231 164 I HN -0.380 nan 8.210 nan 0.000 0.427 165 A N 3.226 126.039 122.820 -0.012 0.000 3.048 165 A HA 0.359 4.679 4.320 -0.000 0.000 0.264 165 A C 0.363 177.951 177.584 0.006 0.000 1.796 165 A CA 0.084 52.113 52.037 -0.013 0.000 1.445 165 A CB -0.961 18.031 19.000 -0.014 0.000 1.074 165 A HN 0.650 nan 8.150 nan 0.000 0.621 166 S N 0.773 116.482 115.700 0.014 0.000 2.474 166 S HA 0.542 5.012 4.470 -0.000 0.000 0.321 166 S C 1.101 175.719 174.600 0.030 0.000 1.080 166 S CA -0.020 58.196 58.200 0.027 0.000 1.106 166 S CB 1.101 64.322 63.200 0.034 0.000 0.984 166 S HN 0.892 nan 8.310 nan 0.000 0.464 167 A N 4.506 127.347 122.820 0.035 0.000 1.968 167 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 167 A C 1.987 179.597 177.584 0.044 0.000 1.169 167 A CA 1.033 53.093 52.037 0.038 0.000 0.638 167 A CB -0.505 18.526 19.000 0.052 0.000 0.812 167 A HN 0.887 nan 8.150 nan 0.000 0.446 168 Q N -0.404 119.425 119.800 0.049 0.000 2.050 168 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 168 Q C 2.118 178.141 176.000 0.039 0.000 0.980 168 Q CA 1.730 57.562 55.803 0.049 0.000 0.840 168 Q CB -0.339 28.421 28.738 0.037 0.000 0.898 168 Q HN 0.489 nan 8.270 nan 0.000 0.424 169 V N 1.403 121.338 119.914 0.035 0.000 2.407 169 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 169 V C 2.279 178.389 176.094 0.026 0.000 1.055 169 V CA 1.895 64.213 62.300 0.031 0.000 1.049 169 V CB -0.547 31.309 31.823 0.056 0.000 0.662 169 V HN 0.337 nan 8.190 nan 0.000 0.455 170 K N 0.299 120.715 120.400 0.026 0.000 2.026 170 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 170 K C 2.324 178.898 176.600 -0.044 0.000 1.048 170 K CA 1.942 58.232 56.287 0.005 0.000 0.929 170 K CB -0.201 32.300 32.500 0.003 0.000 0.713 170 K HN 0.475 nan 8.250 nan 0.000 0.439 171 S N 0.860 116.533 115.700 -0.044 0.000 2.356 171 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 171 S C 2.126 176.671 174.600 -0.091 0.000 1.032 171 S CA 1.159 59.277 58.200 -0.137 0.000 1.005 171 S CB -0.409 62.791 63.200 0.001 0.000 0.867 171 S HN 0.535 nan 8.310 nan 0.000 0.449 172 A N 1.702 124.567 122.820 0.075 0.000 1.892 172 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 172 A C 2.069 179.688 177.584 0.058 0.000 1.188 172 A CA 1.457 53.576 52.037 0.138 0.000 0.631 172 A CB -0.836 18.197 19.000 0.056 0.000 0.822 172 A HN 0.364 nan 8.150 nan 0.000 0.447 173 L N -0.921 120.293 121.223 -0.015 0.000 2.083 173 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 173 L C 2.729 179.564 176.870 -0.058 0.000 1.083 173 L CA 1.851 56.667 54.840 -0.041 0.000 0.752 173 L CB -0.804 41.231 42.059 -0.040 0.000 0.899 173 L HN 0.416 nan 8.230 nan 0.000 0.433 174 M N -2.270 117.255 119.600 -0.125 0.000 2.086 174 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 174 M C 2.314 178.514 176.300 -0.167 0.000 1.067 174 M CA 1.811 57.001 55.300 -0.184 0.000 1.116 174 M CB -0.475 31.946 32.600 -0.298 0.000 1.348 174 M HN 0.096 nan 8.290 nan 0.000 0.407 175 F N 0.249 120.155 119.950 -0.073 0.000 2.126 175 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 175 F C 2.651 178.404 175.800 -0.078 0.000 1.096 175 F CA 1.012 58.945 58.000 -0.112 0.000 1.255 175 F CB -0.552 38.356 39.000 -0.153 0.000 0.997 175 F HN 0.163 nan 8.300 nan 0.000 0.479 176 A N 0.124 123.009 122.820 0.108 0.000 1.902 176 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 176 A C 2.355 179.947 177.584 0.013 0.000 1.181 176 A CA 1.657 53.714 52.037 0.034 0.000 0.623 176 A CB -1.228 17.771 19.000 -0.003 0.000 0.818 176 A HN 0.328 nan 8.150 nan 0.000 0.443 177 A N -0.585 122.234 122.820 -0.003 0.000 1.933 177 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 177 A C 1.870 179.461 177.584 0.012 0.000 1.175 177 A CA 1.643 53.673 52.037 -0.012 0.000 0.628 177 A CB -0.530 18.450 19.000 -0.034 0.000 0.814 177 A HN 0.393 nan 8.150 nan 0.000 0.444 178 L N -0.392 120.851 121.223 0.032 0.000 2.261 178 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 178 L C 2.319 179.220 176.870 0.052 0.000 1.114 178 L CA 1.859 56.733 54.840 0.058 0.000 0.777 178 L CB -0.769 41.346 42.059 0.094 0.000 0.910 178 L HN 0.536 nan 8.230 nan 0.000 0.440 179 Q N -1.571 118.251 119.800 0.037 0.000 2.317 179 Q HA 0.349 4.689 4.340 -0.000 0.000 0.220 179 Q C 0.792 176.801 176.000 0.014 0.000 0.873 179 Q CA 0.195 56.014 55.803 0.025 0.000 0.936 179 Q CB 0.394 29.140 28.738 0.013 0.000 1.105 179 Q HN 0.394 nan 8.270 nan 0.000 0.520 180 A N 1.578 124.404 122.820 0.011 0.000 2.351 180 A HA 0.300 4.620 4.320 -0.000 0.000 0.257 180 A C -0.483 177.110 177.584 0.014 0.000 1.087 180 A CA -0.353 51.688 52.037 0.007 0.000 0.798 180 A CB 0.388 19.387 19.000 -0.001 0.000 1.033 180 A HN 0.078 nan 8.150 nan 0.000 0.488 181 K N 1.327 121.737 120.400 0.016 0.000 2.266 181 K HA 0.556 4.876 4.320 -0.000 0.000 0.274 181 K C 0.246 176.862 176.600 0.026 0.000 1.090 181 K CA 0.450 56.750 56.287 0.021 0.000 0.925 181 K CB 0.790 33.302 32.500 0.020 0.000 1.225 181 K HN 1.282 nan 8.250 nan 0.000 0.458 182 G N 1.570 110.386 108.800 0.026 0.000 2.334 182 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.315 182 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.315 182 G C -1.693 173.220 174.900 0.021 0.000 1.284 182 G CA -0.999 44.121 45.100 0.033 0.000 0.985 182 G HN 0.511 nan 8.290 nan 0.000 0.504 183 E N 0.127 120.345 120.200 0.029 0.000 2.146 183 E HA 0.592 4.942 4.350 -0.000 0.000 0.282 183 E C -0.239 176.294 176.600 -0.112 0.000 0.989 183 E CA -0.378 56.019 56.400 -0.005 0.000 0.799 183 E CB 0.792 30.509 29.700 0.029 0.000 1.088 183 E HN 0.408 nan 8.360 nan 0.000 0.397 184 S N 2.396 118.001 115.700 -0.159 0.000 2.565 184 S HA 0.447 4.917 4.470 -0.000 0.000 0.290 184 S C -0.681 173.768 174.600 -0.253 0.000 1.150 184 S CA -0.828 57.189 58.200 -0.306 0.000 1.058 184 S CB 1.602 64.701 63.200 -0.168 0.000 1.032 184 S HN 0.483 nan 8.310 nan 0.000 0.510 185 V N 0.836 120.558 119.914 -0.319 0.000 2.482 185 V HA 0.656 4.776 4.120 -0.000 0.000 0.295 185 V C -0.967 175.095 176.094 -0.053 0.000 1.026 185 V CA -0.639 61.587 62.300 -0.124 0.000 0.856 185 V CB 0.744 32.543 31.823 -0.040 0.000 1.001 185 V HN 0.789 nan 8.190 nan 0.000 0.424 186 I N 6.163 126.719 120.570 -0.022 0.000 2.355 186 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 186 I C -0.469 175.648 176.117 -0.001 0.000 0.999 186 I CA -0.433 60.876 61.300 0.015 0.000 1.163 186 I CB 1.804 39.810 38.000 0.010 0.000 1.316 186 I HN 0.543 nan 8.210 nan 0.000 0.454 187 I N 6.406 126.969 120.570 -0.012 0.000 2.330 187 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 187 I C 0.258 176.329 176.117 -0.078 0.000 1.001 187 I CA -0.571 60.699 61.300 -0.051 0.000 1.193 187 I CB 0.930 38.892 38.000 -0.064 0.000 1.345 187 I HN 0.554 nan 8.210 nan 0.000 0.461 188 E N 5.527 125.669 120.200 -0.097 0.000 2.383 188 E HA 0.040 4.390 4.350 -0.000 0.000 0.264 188 E C 0.567 177.071 176.600 -0.161 0.000 1.050 188 E CA -0.270 56.059 56.400 -0.119 0.000 0.896 188 E CB 1.579 31.189 29.700 -0.149 0.000 0.982 188 E HN 0.483 nan 8.360 nan 0.000 0.424 189 K N 1.208 121.529 120.400 -0.133 0.000 2.186 189 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 189 K C 0.062 176.565 176.600 -0.161 0.000 1.052 189 K CA 1.079 57.288 56.287 -0.130 0.000 0.965 189 K CB 0.493 32.938 32.500 -0.090 0.000 0.746 189 K HN 0.357 nan 8.250 nan 0.000 0.457 190 E N -0.917 119.177 120.200 -0.175 0.000 2.412 190 E HA 0.120 4.470 4.350 -0.000 0.000 0.279 190 E C -1.491 174.987 176.600 -0.203 0.000 0.984 190 E CA -0.744 55.538 56.400 -0.196 0.000 0.788 190 E CB 0.795 30.452 29.700 -0.072 0.000 1.277 190 E HN 0.055 nan 8.360 nan 0.000 0.455 191 Y N 1.069 121.357 120.300 -0.020 0.000 2.544 191 Y HA 0.129 4.679 4.550 -0.000 0.000 0.330 191 Y C 1.431 177.315 175.900 -0.027 0.000 1.136 191 Y CA 0.502 58.587 58.100 -0.025 0.000 1.417 191 Y CB 0.462 38.906 38.460 -0.027 0.000 1.229 191 Y HN 0.300 nan 8.280 nan 0.000 0.532 192 T N 1.317 115.935 114.554 0.106 0.000 2.910 192 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 192 T C -0.349 174.359 174.700 0.013 0.000 1.050 192 T CA -1.561 60.568 62.100 0.048 0.000 1.011 192 T CB 1.154 70.038 68.868 0.027 0.000 1.195 192 T HN 0.637 nan 8.240 nan 0.000 0.540 193 R N 1.880 122.365 120.500 -0.025 0.000 2.494 193 R HA -0.014 4.326 4.340 -0.000 0.000 0.291 193 R C -0.239 175.953 176.300 -0.181 0.000 0.953 193 R CA -0.034 55.975 56.100 -0.152 0.000 1.098 193 R CB -0.496 29.738 30.300 -0.110 0.000 0.911 193 R HN 0.846 nan 8.270 nan 0.000 0.407 194 N N 1.950 120.482 118.700 -0.279 0.000 2.376 194 N HA -0.025 4.714 4.740 -0.000 0.000 0.249 194 N C 0.040 175.468 175.510 -0.136 0.000 1.140 194 N CA -0.254 52.703 53.050 -0.154 0.000 0.870 194 N CB -0.258 38.176 38.487 -0.087 0.000 1.124 194 N HN 0.707 nan 8.380 nan 0.000 0.505 195 H N -0.375 118.727 119.070 0.052 0.000 2.387 195 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 195 H C 1.274 176.651 175.328 0.081 0.000 1.090 195 H CA 2.149 58.235 56.048 0.065 0.000 1.332 195 H CB 0.177 29.994 29.762 0.091 0.000 1.386 195 H HN 0.230 nan 8.280 nan 0.000 0.516 196 T N 0.607 115.273 114.554 0.187 0.000 2.746 196 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 196 T C 1.723 176.483 174.700 0.100 0.000 1.039 196 T CA 1.612 63.818 62.100 0.176 0.000 1.142 196 T CB -0.150 68.701 68.868 -0.028 0.000 0.866 196 T HN 0.405 nan 8.240 nan 0.000 0.444 197 E N 1.271 121.489 120.200 0.031 0.000 2.051 197 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 197 E C 2.178 178.773 176.600 -0.008 0.000 0.991 197 E CA 1.222 57.626 56.400 0.006 0.000 0.799 197 E CB -0.278 29.420 29.700 -0.002 0.000 0.748 197 E HN 0.368 nan 8.360 nan 0.000 0.449 198 D N -0.007 120.393 120.400 0.001 0.000 2.092 198 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 198 D C 1.935 178.201 176.300 -0.056 0.000 0.994 198 D CA 1.270 55.266 54.000 -0.008 0.000 0.828 198 D CB -0.218 40.604 40.800 0.036 0.000 0.963 198 D HN 0.199 nan 8.370 nan 0.000 0.450 199 M N -0.195 119.340 119.600 -0.108 0.000 2.229 199 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 199 M C 2.075 178.034 176.300 -0.568 0.000 1.063 199 M CA 0.429 55.542 55.300 -0.312 0.000 1.114 199 M CB -0.055 32.262 32.600 -0.472 0.000 1.387 199 M HN 0.022 nan 8.290 nan 0.000 0.420 200 L N 0.958 121.905 121.223 -0.459 0.000 2.012 200 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 200 L C 2.243 179.050 176.870 -0.105 0.000 1.073 200 L CA 2.028 56.745 54.840 -0.205 0.000 0.748 200 L CB -0.766 41.330 42.059 0.062 0.000 0.891 200 L HN 0.325 nan 8.230 nan 0.000 0.431 201 Q N -0.986 118.755 119.800 -0.097 0.000 2.119 201 Q HA -0.266 4.074 4.340 -0.000 0.000 0.201 201 Q C 2.236 178.182 176.000 -0.091 0.000 0.972 201 Q CA 1.680 57.424 55.803 -0.098 0.000 0.847 201 Q CB -0.311 28.389 28.738 -0.062 0.000 0.903 201 Q HN 0.697 nan 8.270 nan 0.000 0.433 202 Q N 0.132 119.888 119.800 -0.072 0.000 2.170 202 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 202 Q C 0.681 176.589 176.000 -0.154 0.000 0.976 202 Q CA 0.984 56.731 55.803 -0.094 0.000 0.858 202 Q CB 0.136 28.831 28.738 -0.071 0.000 0.907 202 Q HN 0.299 nan 8.270 nan 0.000 0.433 203 F N -0.605 119.212 119.950 -0.222 0.000 2.664 203 F HA 0.282 4.808 4.527 -0.000 0.000 0.301 203 F C 1.358 177.103 175.800 -0.091 0.000 1.126 203 F CA 0.696 58.614 58.000 -0.136 0.000 1.373 203 F CB 0.599 39.527 39.000 -0.119 0.000 1.042 203 F HN 0.242 nan 8.300 nan 0.000 0.535 204 G N -0.134 108.643 108.800 -0.039 0.000 2.176 204 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 204 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 204 G C 0.757 175.497 174.900 -0.266 0.000 0.979 204 G CA -0.148 44.892 45.100 -0.101 0.000 0.641 204 G HN 0.758 nan 8.290 nan 0.000 0.530 205 G N -1.016 107.649 108.800 -0.225 0.000 2.547 205 G HA2 0.644 4.604 3.960 -0.000 0.000 0.291 205 G HA3 0.644 4.604 3.960 -0.000 0.000 0.291 205 G C -0.634 173.919 174.900 -0.579 0.000 1.211 205 G CA -0.386 44.556 45.100 -0.263 0.000 0.950 205 G HN 0.589 nan 8.290 nan 0.000 0.504 206 H N -1.456 117.647 119.070 0.056 0.000 2.768 206 H HA 0.659 5.215 4.556 -0.000 0.000 0.371 206 H C -0.007 175.338 175.328 0.029 0.000 1.151 206 H CA -0.722 55.347 56.048 0.036 0.000 1.165 206 H CB 2.206 31.986 29.762 0.030 0.000 1.722 206 H HN 0.655 nan 8.280 nan 0.000 0.543 207 L N -1.179 120.123 121.223 0.132 0.000 2.720 207 L HA 0.803 5.143 4.340 -0.000 0.000 0.261 207 L C -1.290 175.617 176.870 0.061 0.000 1.046 207 L CA -0.829 54.056 54.840 0.074 0.000 0.886 207 L CB 2.472 44.555 42.059 0.039 0.000 1.493 207 L HN 0.550 nan 8.230 nan 0.000 0.407 208 S N 0.764 116.488 115.700 0.041 0.000 2.659 208 S HA 0.735 5.205 4.470 -0.000 0.000 0.312 208 S C -1.040 173.578 174.600 0.029 0.000 1.114 208 S CA -0.409 57.811 58.200 0.034 0.000 1.063 208 S CB 1.419 64.637 63.200 0.030 0.000 0.996 208 S HN 0.525 nan 8.310 nan 0.000 0.478 209 V N 4.806 124.739 119.914 0.031 0.000 2.347 209 V HA 0.453 4.573 4.120 -0.000 0.000 0.280 209 V C -0.487 175.633 176.094 0.042 0.000 1.021 209 V CA -0.673 61.650 62.300 0.038 0.000 0.847 209 V CB 1.503 33.350 31.823 0.041 0.000 0.990 209 V HN 0.875 nan 8.190 nan 0.000 0.444 210 D N 4.086 124.515 120.400 0.048 0.000 2.438 210 D HA 0.559 5.198 4.640 -0.000 0.000 0.257 210 D C 0.705 177.048 176.300 0.072 0.000 1.148 210 D CA 0.962 54.991 54.000 0.048 0.000 0.902 210 D CB 0.934 41.754 40.800 0.033 0.000 1.062 210 D HN 0.783 nan 8.370 nan 0.000 0.518 211 G N 4.318 113.186 108.800 0.114 0.000 2.565 211 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.295 211 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.295 211 G C 0.862 175.915 174.900 0.256 0.000 1.165 211 G CA 0.476 45.699 45.100 0.205 0.000 0.977 211 G HN 0.511 nan 8.290 nan 0.000 0.546 212 K N 0.925 121.353 120.400 0.047 0.000 2.393 212 K HA 0.163 4.482 4.320 -0.000 0.000 0.193 212 K C 1.100 177.671 176.600 -0.047 0.000 1.026 212 K CA 0.336 56.549 56.287 -0.124 0.000 1.064 212 K CB 0.323 32.613 32.500 -0.350 0.000 0.833 212 K HN 0.363 nan 8.250 nan 0.000 0.521 213 K N 2.243 122.640 120.400 -0.005 0.000 2.285 213 K HA 0.208 4.528 4.320 -0.000 0.000 0.286 213 K C -0.940 175.669 176.600 0.014 0.000 1.072 213 K CA -0.117 56.169 56.287 -0.002 0.000 0.913 213 K CB 0.432 32.935 32.500 0.004 0.000 1.067 213 K HN -0.017 nan 8.250 nan 0.000 0.479 214 I N 3.839 124.412 120.570 0.005 0.000 2.362 214 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 214 I C -0.286 175.828 176.117 -0.005 0.000 0.994 214 I CA -0.662 60.642 61.300 0.007 0.000 1.158 214 I CB 2.065 40.067 38.000 0.002 0.000 1.315 214 I HN 0.505 nan 8.210 nan 0.000 0.451 215 T N 5.839 120.393 114.554 0.001 0.000 2.779 215 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 215 T C -0.334 174.365 174.700 -0.001 0.000 0.987 215 T CA -0.484 61.611 62.100 -0.007 0.000 0.966 215 T CB 1.822 70.692 68.868 0.005 0.000 0.933 215 T HN 0.193 nan 8.240 nan 0.000 0.442 216 V N 3.582 123.486 119.914 -0.016 0.000 2.525 216 V HA 0.412 4.532 4.120 -0.000 0.000 0.299 216 V C -0.323 175.771 176.094 -0.000 0.000 1.034 216 V CA -0.905 61.395 62.300 0.000 0.000 0.863 216 V CB 1.772 33.588 31.823 -0.012 0.000 0.999 216 V HN 0.749 nan 8.190 nan 0.000 0.423 217 Q N 2.789 122.605 119.800 0.026 0.000 2.261 217 Q HA 0.708 5.048 4.340 -0.000 0.000 0.252 217 Q C 0.010 176.033 176.000 0.037 0.000 0.915 217 Q CA 0.238 56.057 55.803 0.026 0.000 0.915 217 Q CB 1.727 30.484 28.738 0.032 0.000 1.204 217 Q HN 0.937 nan 8.270 nan 0.000 0.421 218 G N 3.417 112.235 108.800 0.029 0.000 2.605 218 G HA2 0.681 4.641 3.960 -0.000 0.000 0.296 218 G HA3 0.681 4.641 3.960 -0.000 0.000 0.296 218 G C -2.785 172.135 174.900 0.034 0.000 1.304 218 G CA -1.502 43.620 45.100 0.036 0.000 0.941 218 G HN 0.652 nan 8.290 nan 0.000 0.475 219 P HA 0.326 nan 4.420 nan 0.000 0.279 219 P C -1.052 176.286 177.300 0.065 0.000 1.252 219 P CA -0.282 62.846 63.100 0.047 0.000 0.811 219 P CB 1.884 33.609 31.700 0.041 0.000 1.035 220 Q N 0.065 119.913 119.800 0.079 0.000 2.433 220 Q HA 0.518 4.858 4.340 -0.000 0.000 0.279 220 Q C -0.689 175.373 176.000 0.104 0.000 1.105 220 Q CA -0.924 54.941 55.803 0.104 0.000 0.815 220 Q CB 2.697 31.511 28.738 0.127 0.000 1.403 220 Q HN 0.314 nan 8.270 nan 0.000 0.435 221 K N 1.654 122.123 120.400 0.114 0.000 2.292 221 K HA 0.545 4.865 4.320 -0.000 0.000 0.257 221 K C -1.391 175.286 176.600 0.129 0.000 0.940 221 K CA -0.297 56.056 56.287 0.110 0.000 0.811 221 K CB 0.891 33.447 32.500 0.093 0.000 1.120 221 K HN 0.485 nan 8.250 nan 0.000 0.428 222 L N 2.044 123.357 121.223 0.150 0.000 2.313 222 L HA 0.578 4.917 4.340 -0.000 0.000 0.268 222 L C -0.325 176.657 176.870 0.188 0.000 1.010 222 L CA -1.059 53.900 54.840 0.198 0.000 0.814 222 L CB 2.319 44.552 42.059 0.290 0.000 1.304 222 L HN 0.655 nan 8.230 nan 0.000 0.441 223 T N 0.067 114.738 114.554 0.194 0.000 2.848 223 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 223 T C 0.182 174.937 174.700 0.092 0.000 0.995 223 T CA -0.566 61.603 62.100 0.115 0.000 0.970 223 T CB 1.730 70.620 68.868 0.036 0.000 0.976 223 T HN 0.773 nan 8.240 nan 0.000 0.441 224 G N 2.737 111.591 108.800 0.091 0.000 2.368 224 G HA2 0.349 4.309 3.960 -0.000 0.000 0.233 224 G HA3 0.349 4.309 3.960 -0.000 0.000 0.233 224 G C -0.394 174.396 174.900 -0.185 0.000 1.267 224 G CA -0.078 45.051 45.100 0.048 0.000 0.873 224 G HN 0.495 nan 8.290 nan 0.000 0.539 225 Q N -0.245 119.347 119.800 -0.348 0.000 2.587 225 Q HA 0.405 4.745 4.340 -0.000 0.000 0.293 225 Q C -0.643 175.253 176.000 -0.173 0.000 1.083 225 Q CA -0.962 54.583 55.803 -0.430 0.000 0.792 225 Q CB 2.296 30.456 28.738 -0.964 0.000 1.484 225 Q HN 0.653 nan 8.270 nan 0.000 0.446 226 K N 0.855 121.192 120.400 -0.106 0.000 2.263 226 K HA 0.487 4.807 4.320 -0.000 0.000 0.272 226 K C -1.278 175.355 176.600 0.055 0.000 1.033 226 K CA -0.289 56.040 56.287 0.070 0.000 0.884 226 K CB 0.805 33.348 32.500 0.071 0.000 1.107 226 K HN 0.283 nan 8.250 nan 0.000 0.460 227 V N 5.664 125.671 119.914 0.155 0.000 2.384 227 V HA 0.253 4.373 4.120 -0.000 0.000 0.287 227 V C -0.470 175.748 176.094 0.207 0.000 1.020 227 V CA -0.931 61.451 62.300 0.136 0.000 0.850 227 V CB 1.465 33.381 31.823 0.155 0.000 0.987 227 V HN 0.627 nan 8.190 nan 0.000 0.436 228 V N 4.119 124.105 119.914 0.120 0.000 2.328 228 V HA 0.619 4.739 4.120 -0.000 0.000 0.278 228 V C -0.176 175.957 176.094 0.066 0.000 1.021 228 V CA -0.614 61.750 62.300 0.107 0.000 0.838 228 V CB 1.229 33.061 31.823 0.015 0.000 0.999 228 V HN 0.463 nan 8.190 nan 0.000 0.447 229 V N 8.426 128.381 119.914 0.068 0.000 2.488 229 V HA 0.358 4.478 4.120 -0.000 0.000 0.277 229 V C -1.345 174.757 176.094 0.013 0.000 1.046 229 V CA -0.927 61.389 62.300 0.028 0.000 0.986 229 V CB 0.974 32.804 31.823 0.012 0.000 0.989 229 V HN 0.879 nan 8.190 nan 0.000 0.475 230 P HA 0.271 nan 4.420 nan 0.000 0.278 230 P C 0.152 177.447 177.300 -0.008 0.000 1.266 230 P CA -0.210 62.891 63.100 0.001 0.000 0.807 230 P CB 0.955 32.659 31.700 0.006 0.000 1.094 231 G N 0.532 109.333 108.800 0.000 0.000 2.432 231 G HA2 0.024 3.984 3.960 -0.000 0.000 0.239 231 G HA3 0.024 3.984 3.960 -0.000 0.000 0.239 231 G C -0.210 174.688 174.900 -0.004 0.000 1.291 231 G CA -0.059 45.039 45.100 -0.004 0.000 0.863 231 G HN 0.470 nan 8.290 nan 0.000 0.560 232 D N 1.339 121.727 120.400 -0.020 0.000 2.343 232 D HA 0.098 4.738 4.640 -0.000 0.000 0.255 232 D C 1.512 177.830 176.300 0.030 0.000 1.187 232 D CA -0.598 53.398 54.000 -0.005 0.000 0.875 232 D CB 1.071 41.858 40.800 -0.023 0.000 1.136 232 D HN 0.066 nan 8.370 nan 0.000 0.469 233 I N 2.381 122.975 120.570 0.039 0.000 2.286 233 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 233 I C 2.422 178.556 176.117 0.029 0.000 1.115 233 I CA 0.854 62.180 61.300 0.043 0.000 1.392 233 I CB -0.656 37.369 38.000 0.042 0.000 1.065 233 I HN 0.284 nan 8.210 nan 0.000 0.418 234 S N 0.003 115.722 115.700 0.032 0.000 2.442 234 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 234 S C 2.158 176.803 174.600 0.074 0.000 1.007 234 S CA 1.410 59.616 58.200 0.010 0.000 0.965 234 S CB -0.273 62.962 63.200 0.059 0.000 0.773 234 S HN 0.461 nan 8.310 nan 0.000 0.504 235 S N 1.182 116.966 115.700 0.141 0.000 2.421 235 S HA 0.219 4.689 4.470 -0.000 0.000 0.224 235 S C 2.229 177.020 174.600 0.319 0.000 1.035 235 S CA 0.556 58.924 58.200 0.281 0.000 0.953 235 S CB -0.239 62.962 63.200 0.002 0.000 0.810 235 S HN 0.569 nan 8.310 nan 0.000 0.497 236 A N 1.807 124.757 122.820 0.216 0.000 1.969 236 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 236 A C 2.285 179.972 177.584 0.170 0.000 1.169 236 A CA 1.483 53.690 52.037 0.283 0.000 0.635 236 A CB -0.946 18.168 19.000 0.190 0.000 0.810 236 A HN 0.478 nan 8.150 nan 0.000 0.445 237 A N -0.620 122.202 122.820 0.004 0.000 1.917 237 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 237 A C 1.923 179.368 177.584 -0.233 0.000 1.182 237 A CA 1.700 53.642 52.037 -0.158 0.000 0.633 237 A CB -0.881 17.923 19.000 -0.326 0.000 0.819 237 A HN 0.526 nan 8.150 nan 0.000 0.448 238 F N -2.104 117.762 119.950 -0.140 0.000 2.216 238 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 238 F C 2.132 177.780 175.800 -0.254 0.000 1.085 238 F CA 1.262 59.091 58.000 -0.286 0.000 1.326 238 F CB -0.436 38.269 39.000 -0.492 0.000 1.027 238 F HN 0.390 nan 8.300 nan 0.000 0.497 239 W N -0.418 121.044 121.300 0.270 0.000 2.523 239 W HA 0.054 4.714 4.660 -0.000 0.000 0.278 239 W C 2.072 178.640 176.519 0.080 0.000 1.236 239 W CA -0.001 57.439 57.345 0.158 0.000 1.306 239 W CB -0.433 29.116 29.460 0.149 0.000 1.101 239 W HN -0.100 nan 8.180 nan 0.000 0.577 240 L N -0.204 121.166 121.223 0.245 0.000 2.012 240 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 240 L C 2.150 179.073 176.870 0.089 0.000 1.073 240 L CA 1.059 55.978 54.840 0.132 0.000 0.748 240 L CB -1.109 40.989 42.059 0.065 0.000 0.891 240 L HN -0.096 nan 8.230 nan 0.000 0.431 241 V N -0.283 119.665 119.914 0.056 0.000 2.453 241 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 241 V C 2.702 178.838 176.094 0.071 0.000 1.048 241 V CA 1.531 63.850 62.300 0.032 0.000 1.049 241 V CB -0.734 31.078 31.823 -0.019 0.000 0.672 241 V HN 0.455 nan 8.190 nan 0.000 0.457 242 A N 0.792 123.690 122.820 0.129 0.000 1.883 242 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 242 A C 2.407 180.062 177.584 0.117 0.000 1.186 242 A CA 2.069 54.200 52.037 0.156 0.000 0.624 242 A CB -1.228 17.952 19.000 0.299 0.000 0.822 242 A HN 0.526 nan 8.150 nan 0.000 0.444 243 G N -0.596 108.277 108.800 0.122 0.000 2.422 243 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.218 243 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.218 243 G C 1.510 176.429 174.900 0.031 0.000 1.140 243 G CA 0.938 46.070 45.100 0.054 0.000 0.775 243 G HN 0.437 nan 8.290 nan 0.000 0.545 244 L N -0.552 120.695 121.223 0.041 0.000 2.179 244 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 244 L C 2.486 179.371 176.870 0.024 0.000 1.096 244 L CA 0.235 55.091 54.840 0.027 0.000 0.779 244 L CB -0.107 41.967 42.059 0.024 0.000 0.922 244 L HN 0.108 nan 8.230 nan 0.000 0.443 245 I N -0.278 120.310 120.570 0.030 0.000 2.703 245 I HA 0.063 4.233 4.170 -0.000 0.000 0.259 245 I C 1.432 177.566 176.117 0.028 0.000 1.151 245 I CA 0.110 61.426 61.300 0.027 0.000 1.470 245 I CB -0.297 37.721 38.000 0.029 0.000 1.112 245 I HN 0.010 nan 8.210 nan 0.000 0.437 246 A N 2.325 125.163 122.820 0.031 0.000 2.332 246 A HA 0.483 4.803 4.320 -0.000 0.000 0.258 246 A C -2.290 175.308 177.584 0.024 0.000 1.087 246 A CA -1.028 51.025 52.037 0.027 0.000 0.802 246 A CB -0.598 18.416 19.000 0.023 0.000 1.042 246 A HN 0.018 nan 8.150 nan 0.000 0.489 247 P HA 0.086 nan 4.420 nan 0.000 0.274 247 P C -0.796 176.542 177.300 0.064 0.000 1.231 247 P CA -0.318 62.810 63.100 0.047 0.000 0.790 247 P CB 0.362 32.095 31.700 0.056 0.000 0.951 248 N N -0.719 118.024 118.700 0.071 0.000 2.689 248 N HA -0.125 4.615 4.740 -0.000 0.000 0.263 248 N C -0.638 174.904 175.510 0.053 0.000 0.987 248 N CA 1.058 54.174 53.050 0.110 0.000 0.782 248 N CB -1.416 37.174 38.487 0.171 0.000 0.903 248 N HN 0.359 nan 8.380 nan 0.000 0.547 249 S N 0.197 115.857 115.700 -0.067 0.000 2.536 249 S HA 0.668 5.138 4.470 -0.000 0.000 0.298 249 S C 0.253 174.719 174.600 -0.223 0.000 1.083 249 S CA -0.821 57.210 58.200 -0.281 0.000 0.995 249 S CB 3.112 66.219 63.200 -0.155 0.000 1.058 249 S HN 0.451 nan 8.310 nan 0.000 0.488 250 R N 2.484 122.780 120.500 -0.341 0.000 2.605 250 R HA 0.465 4.805 4.340 -0.000 0.000 0.291 250 R C -2.029 174.217 176.300 -0.090 0.000 1.226 250 R CA -0.289 55.746 56.100 -0.107 0.000 0.981 250 R CB 0.407 30.724 30.300 0.028 0.000 1.215 250 R HN 0.595 nan 8.270 nan 0.000 0.428 251 L N 4.466 125.662 121.223 -0.044 0.000 2.341 251 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 251 L C -0.472 176.398 176.870 -0.000 0.000 1.005 251 L CA -1.318 53.502 54.840 -0.033 0.000 0.818 251 L CB 2.050 44.101 42.059 -0.013 0.000 1.259 251 L HN 0.351 nan 8.230 nan 0.000 0.418 252 V N 5.373 125.280 119.914 -0.011 0.000 2.357 252 V HA 0.453 4.573 4.120 -0.000 0.000 0.284 252 V C -0.741 175.354 176.094 0.001 0.000 1.018 252 V CA -0.440 61.863 62.300 0.005 0.000 0.841 252 V CB 1.422 33.249 31.823 0.006 0.000 0.991 252 V HN 0.466 nan 8.190 nan 0.000 0.437 253 L N 7.078 128.319 121.223 0.030 0.000 2.276 253 L HA 0.565 4.904 4.340 -0.000 0.000 0.286 253 L C 0.271 177.165 176.870 0.041 0.000 1.024 253 L CA 0.088 54.957 54.840 0.048 0.000 0.826 253 L CB 1.018 43.142 42.059 0.107 0.000 1.211 253 L HN 0.752 nan 8.230 nan 0.000 0.422 254 Q N 1.847 121.664 119.800 0.028 0.000 2.221 254 Q HA 0.225 4.565 4.340 -0.000 0.000 0.242 254 Q C 0.365 176.381 176.000 0.027 0.000 0.940 254 Q CA -0.665 55.152 55.803 0.023 0.000 0.896 254 Q CB 1.039 29.784 28.738 0.012 0.000 1.226 254 Q HN 0.526 nan 8.270 nan 0.000 0.463 255 N N -0.116 118.596 118.700 0.021 0.000 2.716 255 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 255 N C -1.354 174.170 175.510 0.024 0.000 1.033 255 N CA 0.511 53.572 53.050 0.019 0.000 0.727 255 N CB -0.759 37.736 38.487 0.014 0.000 0.950 255 N HN 0.387 nan 8.380 nan 0.000 0.541 256 V N 0.027 119.960 119.914 0.032 0.000 2.394 256 V HA 0.806 4.926 4.120 -0.000 0.000 0.282 256 V C 1.291 177.406 176.094 0.034 0.000 1.031 256 V CA 0.032 62.355 62.300 0.038 0.000 0.881 256 V CB 0.948 32.804 31.823 0.056 0.000 0.982 256 V HN 0.410 nan 8.190 nan 0.000 0.451 257 G N 4.791 113.611 108.800 0.033 0.000 2.464 257 G HA2 0.222 4.182 3.960 -0.000 0.000 0.231 257 G HA3 0.222 4.182 3.960 -0.000 0.000 0.231 257 G C -0.096 174.832 174.900 0.047 0.000 1.267 257 G CA 0.137 45.261 45.100 0.042 0.000 0.863 257 G HN 0.949 nan 8.290 nan 0.000 0.559 258 I N 0.966 121.563 120.570 0.046 0.000 3.621 258 I HA 0.141 4.311 4.170 -0.000 0.000 0.325 258 I C 0.622 176.759 176.117 0.034 0.000 1.554 258 I CA -0.866 60.455 61.300 0.036 0.000 1.053 258 I CB 0.056 38.070 38.000 0.023 0.000 1.302 258 I HN 0.472 nan 8.210 nan 0.000 0.518 259 N N 1.836 120.570 118.700 0.057 0.000 2.411 259 N HA -0.102 4.638 4.740 -0.000 0.000 0.265 259 N C 1.487 177.002 175.510 0.008 0.000 1.266 259 N CA 0.521 53.595 53.050 0.040 0.000 0.889 259 N CB 0.909 39.449 38.487 0.089 0.000 1.069 259 N HN 0.301 nan 8.380 nan 0.000 0.476 260 E N 2.429 122.618 120.200 -0.018 0.000 2.233 260 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 260 E C 1.056 177.634 176.600 -0.036 0.000 1.004 260 E CA 1.960 58.341 56.400 -0.031 0.000 0.819 260 E CB -1.110 28.559 29.700 -0.053 0.000 0.738 260 E HN 0.697 nan 8.360 nan 0.000 0.478 261 T N -2.231 112.292 114.554 -0.050 0.000 3.194 261 T HA 0.184 4.534 4.350 -0.000 0.000 0.251 261 T C 1.337 176.025 174.700 -0.021 0.000 1.132 261 T CA -0.145 61.928 62.100 -0.046 0.000 1.028 261 T CB 0.130 68.950 68.868 -0.081 0.000 0.976 261 T HN -0.014 nan 8.240 nan 0.000 0.535 262 R N 0.610 121.112 120.500 0.003 0.000 2.541 262 R HA 0.162 4.502 4.340 -0.000 0.000 0.332 262 R C 1.296 177.612 176.300 0.025 0.000 0.951 262 R CA 0.658 56.780 56.100 0.037 0.000 1.136 262 R CB 0.203 30.564 30.300 0.100 0.000 1.449 262 R HN 0.604 nan 8.270 nan 0.000 0.531 263 T N -2.793 111.767 114.554 0.012 0.000 3.244 263 T HA 0.121 4.471 4.350 -0.000 0.000 0.254 263 T C 1.660 176.358 174.700 -0.003 0.000 1.024 263 T CA 0.369 62.472 62.100 0.006 0.000 0.920 263 T CB 0.563 69.434 68.868 0.004 0.000 1.042 263 T HN 0.142 nan 8.240 nan 0.000 0.572 264 G N 2.049 110.846 108.800 -0.005 0.000 2.469 264 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 264 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 264 G C 1.257 176.147 174.900 -0.017 0.000 1.136 264 G CA 0.737 45.831 45.100 -0.010 0.000 0.759 264 G HN 0.607 nan 8.290 nan 0.000 0.562 265 I N 0.260 120.815 120.570 -0.026 0.000 2.454 265 I HA -0.094 4.076 4.170 -0.000 0.000 0.254 265 I C 2.527 178.631 176.117 -0.022 0.000 1.156 265 I CA 0.630 61.908 61.300 -0.035 0.000 1.433 265 I CB -0.023 37.942 38.000 -0.058 0.000 1.082 265 I HN 0.196 nan 8.210 nan 0.000 0.432 266 I N 0.748 121.311 120.570 -0.012 0.000 2.142 266 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 266 I C 1.989 178.103 176.117 -0.006 0.000 1.078 266 I CA 1.552 62.849 61.300 -0.005 0.000 1.343 266 I CB -0.606 37.395 38.000 0.000 0.000 1.046 266 I HN 0.260 nan 8.210 nan 0.000 0.405 267 D N 0.507 120.903 120.400 -0.007 0.000 2.182 267 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 267 D C 2.321 178.616 176.300 -0.008 0.000 0.986 267 D CA 1.116 55.112 54.000 -0.007 0.000 0.847 267 D CB -0.308 40.488 40.800 -0.007 0.000 0.942 267 D HN 0.199 nan 8.370 nan 0.000 0.467 268 V N 1.520 121.427 119.914 -0.012 0.000 2.307 268 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 268 V C 2.599 178.686 176.094 -0.011 0.000 1.045 268 V CA 1.052 63.344 62.300 -0.014 0.000 1.024 268 V CB -0.340 31.471 31.823 -0.022 0.000 0.651 268 V HN 0.167 nan 8.190 nan 0.000 0.449 269 I N -0.459 120.105 120.570 -0.011 0.000 2.208 269 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 269 I C 2.756 178.872 176.117 -0.002 0.000 1.097 269 I CA 1.644 62.940 61.300 -0.006 0.000 1.363 269 I CB -0.393 37.605 38.000 -0.003 0.000 1.051 269 I HN 0.208 nan 8.210 nan 0.000 0.413 270 R N 0.732 121.231 120.500 -0.002 0.000 2.081 270 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 270 R C 2.449 178.749 176.300 -0.001 0.000 1.131 270 R CA 1.589 57.689 56.100 0.000 0.000 0.960 270 R CB -0.536 29.764 30.300 -0.000 0.000 0.856 270 R HN 0.385 nan 8.270 nan 0.000 0.436 271 A N 0.256 123.074 122.820 -0.003 0.000 1.902 271 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 271 A C 1.983 179.566 177.584 -0.002 0.000 1.181 271 A CA 1.518 53.554 52.037 -0.003 0.000 0.623 271 A CB -0.408 18.589 19.000 -0.004 0.000 0.818 271 A HN 0.252 nan 8.150 nan 0.000 0.443 272 M N -1.169 118.430 119.600 -0.003 0.000 2.659 272 M HA 0.130 4.610 4.480 -0.000 0.000 0.243 272 M C 1.296 177.596 176.300 0.001 0.000 1.111 272 M CA 0.796 56.094 55.300 -0.002 0.000 1.070 272 M CB 0.039 32.636 32.600 -0.004 0.000 1.525 272 M HN 0.657 nan 8.290 nan 0.000 0.517 273 G N 0.601 109.402 108.800 0.002 0.000 2.136 273 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.242 273 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.242 273 G C 0.256 175.159 174.900 0.006 0.000 0.989 273 G CA -0.196 44.906 45.100 0.004 0.000 0.682 273 G HN 0.639 nan 8.290 nan 0.000 0.522 274 G N -0.201 108.603 108.800 0.005 0.000 2.442 274 G HA2 0.467 4.427 3.960 -0.000 0.000 0.249 274 G HA3 0.467 4.427 3.960 -0.000 0.000 0.249 274 G C 0.185 175.092 174.900 0.010 0.000 1.263 274 G CA -0.399 44.706 45.100 0.008 0.000 0.846 274 G HN 0.387 nan 8.290 nan 0.000 0.555 275 K N 1.033 121.441 120.400 0.013 0.000 2.262 275 K HA 0.231 4.551 4.320 -0.000 0.000 0.288 275 K C -0.729 175.881 176.600 0.016 0.000 1.090 275 K CA -0.303 55.992 56.287 0.014 0.000 0.918 275 K CB 0.742 33.251 32.500 0.015 0.000 1.139 275 K HN 0.251 nan 8.250 nan 0.000 0.462 276 L N 2.188 123.420 121.223 0.015 0.000 2.386 276 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 276 L C -1.085 175.795 176.870 0.016 0.000 0.993 276 L CA -0.288 54.562 54.840 0.017 0.000 0.819 276 L CB 1.904 43.973 42.059 0.016 0.000 1.294 276 L HN 0.560 nan 8.230 nan 0.000 0.414 277 E N 4.700 124.911 120.200 0.018 0.000 2.248 277 E HA 0.529 4.879 4.350 -0.000 0.000 0.267 277 E C -1.638 174.972 176.600 0.017 0.000 0.877 277 E CA -0.635 55.774 56.400 0.016 0.000 0.759 277 E CB 1.655 31.364 29.700 0.016 0.000 1.182 277 E HN 0.704 nan 8.360 nan 0.000 0.418 278 I N 4.410 124.988 120.570 0.014 0.000 2.382 278 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 278 I C 0.141 176.264 176.117 0.011 0.000 1.007 278 I CA -0.404 60.904 61.300 0.014 0.000 1.142 278 I CB 1.548 39.555 38.000 0.012 0.000 1.289 278 I HN 0.568 nan 8.210 nan 0.000 0.453 279 T N 0.797 115.358 114.554 0.012 0.000 2.807 279 T HA 0.392 4.742 4.350 -0.000 0.000 0.277 279 T C 0.060 174.765 174.700 0.008 0.000 1.006 279 T CA -0.657 61.449 62.100 0.009 0.000 1.006 279 T CB 1.403 70.276 68.868 0.010 0.000 1.274 279 T HN 0.462 nan 8.240 nan 0.000 0.569 280 E N 0.281 120.485 120.200 0.006 0.000 2.165 280 E HA -0.161 4.189 4.350 -0.000 0.000 0.203 280 E C -0.483 176.120 176.600 0.004 0.000 1.335 280 E CA 0.323 56.726 56.400 0.004 0.000 0.708 280 E CB -1.811 27.892 29.700 0.005 0.000 1.105 280 E HN 0.659 nan 8.360 nan 0.000 0.346 281 I N 1.319 121.891 120.570 0.003 0.000 2.494 281 I HA -0.016 4.154 4.170 -0.000 0.000 0.289 281 I C 1.020 177.137 176.117 0.001 0.000 1.106 281 I CA 0.130 61.432 61.300 0.003 0.000 1.369 281 I CB 0.283 38.284 38.000 0.002 0.000 1.410 281 I HN -0.061 nan 8.210 nan 0.000 0.523 282 D N 10.307 130.708 120.400 0.001 0.000 2.313 282 D HA 0.168 4.808 4.640 -0.000 0.000 0.239 282 D C -1.418 174.881 176.300 -0.002 0.000 1.142 282 D CA -2.153 51.846 54.000 -0.002 0.000 0.847 282 D CB 1.808 42.607 40.800 -0.002 0.000 1.082 282 D HN 0.275 nan 8.370 nan 0.000 0.480 283 P HA -0.102 nan 4.420 nan 0.000 0.220 283 P C 1.509 178.805 177.300 -0.007 0.000 1.152 283 P CA 0.255 63.352 63.100 -0.006 0.000 0.812 283 P CB 0.693 32.388 31.700 -0.008 0.000 0.792 284 V N 1.871 121.779 119.914 -0.010 0.000 2.227 284 V HA -0.158 3.961 4.120 -0.000 0.000 0.238 284 V C 2.736 178.825 176.094 -0.007 0.000 1.039 284 V CA 2.576 64.868 62.300 -0.013 0.000 0.990 284 V CB -1.829 29.982 31.823 -0.019 0.000 0.635 284 V HN 0.075 nan 8.190 nan 0.000 0.453 285 A N -1.308 121.508 122.820 -0.006 0.000 2.248 285 A HA -0.050 4.270 4.320 -0.000 0.000 0.210 285 A C 1.064 178.656 177.584 0.013 0.000 1.174 285 A CA 0.591 52.629 52.037 0.002 0.000 0.750 285 A CB -0.761 18.239 19.000 -0.000 0.000 0.780 285 A HN 0.656 nan 8.150 nan 0.000 0.478 286 K N -0.029 120.378 120.400 0.011 0.000 3.257 286 K HA -0.160 4.160 4.320 -0.000 0.000 0.270 286 K C 0.007 176.620 176.600 0.022 0.000 0.984 286 K CA 0.618 56.916 56.287 0.017 0.000 0.739 286 K CB -2.001 30.517 32.500 0.029 0.000 1.351 286 K HN 0.850 nan 8.250 nan 0.000 0.463 287 S N -1.222 114.487 115.700 0.015 0.000 2.732 287 S HA 0.955 5.425 4.470 -0.000 0.000 0.293 287 S C -0.736 173.872 174.600 0.014 0.000 1.159 287 S CA -0.367 57.844 58.200 0.018 0.000 0.847 287 S CB 2.920 66.129 63.200 0.015 0.000 1.169 287 S HN 0.743 nan 8.310 nan 0.000 0.501 288 A N 0.444 123.274 122.820 0.017 0.000 2.515 288 A HA 0.754 5.074 4.320 -0.000 0.000 0.292 288 A C -0.452 177.144 177.584 0.021 0.000 1.065 288 A CA -0.251 51.796 52.037 0.016 0.000 0.641 288 A CB 0.428 19.437 19.000 0.015 0.000 1.306 288 A HN 1.911 nan 8.150 nan 0.000 0.441 289 T N -0.592 113.973 114.554 0.019 0.000 2.829 289 T HA 0.662 5.011 4.350 -0.000 0.000 0.282 289 T C -0.877 173.839 174.700 0.027 0.000 0.990 289 T CA -0.491 61.623 62.100 0.023 0.000 1.028 289 T CB 0.623 69.502 68.868 0.018 0.000 0.951 289 T HN 0.622 nan 8.240 nan 0.000 0.460 290 L N 3.867 125.111 121.223 0.036 0.000 2.313 290 L HA 0.591 4.930 4.340 -0.000 0.000 0.283 290 L C -0.120 176.774 176.870 0.041 0.000 1.013 290 L CA -0.953 53.911 54.840 0.040 0.000 0.816 290 L CB 1.240 43.330 42.059 0.052 0.000 1.236 290 L HN 0.740 nan 8.230 nan 0.000 0.419 291 I N 3.614 124.204 120.570 0.033 0.000 2.406 291 I HA 0.591 4.761 4.170 -0.000 0.000 0.290 291 I C -0.534 175.601 176.117 0.031 0.000 0.999 291 I CA -0.770 60.548 61.300 0.030 0.000 1.124 291 I CB 2.115 40.129 38.000 0.024 0.000 1.289 291 I HN 0.179 nan 8.210 nan 0.000 0.441 292 V N 5.709 125.643 119.914 0.033 0.000 2.864 292 V HA 0.515 4.635 4.120 -0.000 0.000 0.314 292 V C -0.455 175.649 176.094 0.017 0.000 1.073 292 V CA -0.504 61.815 62.300 0.031 0.000 0.956 292 V CB 2.561 34.412 31.823 0.047 0.000 1.023 292 V HN 0.740 nan 8.190 nan 0.000 0.435 293 E N 0.720 120.929 120.200 0.015 0.000 2.367 293 E HA 0.443 4.793 4.350 -0.000 0.000 0.273 293 E C -1.110 175.496 176.600 0.010 0.000 0.903 293 E CA -0.772 55.633 56.400 0.007 0.000 0.764 293 E CB 2.095 31.805 29.700 0.016 0.000 1.252 293 E HN 0.610 nan 8.360 nan 0.000 0.446 294 S N 1.447 117.151 115.700 0.007 0.000 2.596 294 S HA 0.126 4.596 4.470 -0.000 0.000 0.298 294 S C -0.429 174.182 174.600 0.017 0.000 1.255 294 S CA 0.129 58.337 58.200 0.013 0.000 1.083 294 S CB 0.070 63.280 63.200 0.018 0.000 0.837 294 S HN 0.373 nan 8.310 nan 0.000 0.499 295 S N 1.656 117.366 115.700 0.016 0.000 2.667 295 S HA 0.472 4.942 4.470 -0.000 0.000 0.292 295 S C -1.267 173.342 174.600 0.014 0.000 1.126 295 S CA -1.080 57.129 58.200 0.015 0.000 0.881 295 S CB 1.304 64.512 63.200 0.013 0.000 1.132 295 S HN 0.604 nan 8.310 nan 0.000 0.492 296 D N 1.824 122.231 120.400 0.012 0.000 2.280 296 D HA 0.492 5.132 4.640 -0.000 0.000 0.236 296 D C -0.699 175.606 176.300 0.009 0.000 1.082 296 D CA -0.297 53.710 54.000 0.011 0.000 0.834 296 D CB 0.937 41.743 40.800 0.011 0.000 1.100 296 D HN 0.125 nan 8.370 nan 0.000 0.486 297 L N 1.741 122.968 121.223 0.007 0.000 2.332 297 L HA 0.533 4.873 4.340 -0.000 0.000 0.269 297 L C 0.275 177.147 176.870 0.003 0.000 1.016 297 L CA -0.802 54.041 54.840 0.005 0.000 0.809 297 L CB 0.960 43.021 42.059 0.003 0.000 1.280 297 L HN 0.126 nan 8.230 nan 0.000 0.447 298 K N -0.240 120.161 120.400 0.002 0.000 2.375 298 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 298 K C 0.049 176.648 176.600 -0.001 0.000 0.942 298 K CA -0.450 55.838 56.287 0.001 0.000 0.806 298 K CB 1.718 34.219 32.500 0.002 0.000 1.227 298 K HN 0.736 nan 8.250 nan 0.000 0.430 299 G N -0.077 108.722 108.800 -0.001 0.000 2.636 299 G HA2 0.377 4.337 3.960 -0.000 0.000 0.246 299 G HA3 0.377 4.337 3.960 -0.000 0.000 0.246 299 G C -0.422 174.476 174.900 -0.004 0.000 1.216 299 G CA 0.198 45.297 45.100 -0.003 0.000 0.854 299 G HN 0.441 nan 8.290 nan 0.000 0.572 300 T N -1.446 113.105 114.554 -0.005 0.000 2.762 300 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 300 T C -1.463 173.234 174.700 -0.006 0.000 1.299 300 T CA -0.644 61.453 62.100 -0.005 0.000 1.005 300 T CB 1.774 70.638 68.868 -0.006 0.000 1.377 300 T HN 0.575 nan 8.240 nan 0.000 0.504 301 E N 1.415 121.611 120.200 -0.006 0.000 2.171 301 E HA 0.613 4.963 4.350 -0.000 0.000 0.271 301 E C -1.085 175.511 176.600 -0.007 0.000 0.916 301 E CA -0.648 55.749 56.400 -0.006 0.000 0.774 301 E CB 0.919 30.616 29.700 -0.004 0.000 1.128 301 E HN 0.507 nan 8.360 nan 0.000 0.403 302 I N 5.677 126.242 120.570 -0.008 0.000 2.411 302 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 302 I C -0.315 175.797 176.117 -0.007 0.000 1.012 302 I CA -0.705 60.590 61.300 -0.009 0.000 1.119 302 I CB 0.786 38.778 38.000 -0.013 0.000 1.261 302 I HN 0.647 nan 8.210 nan 0.000 0.448 303 C N 2.425 121.722 119.300 -0.005 0.000 3.332 303 C HA 0.853 5.313 4.460 -0.000 0.000 0.329 303 C C 0.769 175.759 174.990 -0.001 0.000 1.434 303 C CA -0.819 58.197 59.018 -0.004 0.000 1.314 303 C CB 0.789 28.527 27.740 -0.004 0.000 1.664 303 C HN 0.999 nan 8.230 nan 0.000 0.457 304 G N 0.343 109.142 108.800 -0.001 0.000 2.942 304 G HA2 0.319 4.279 3.960 -0.000 0.000 0.290 304 G HA3 0.319 4.279 3.960 -0.000 0.000 0.290 304 G C 1.192 176.098 174.900 0.009 0.000 0.295 304 G CA 1.696 46.796 45.100 0.001 0.000 1.201 304 G HN 2.890 nan 8.290 nan 0.000 0.204 305 A N 1.069 123.897 122.820 0.014 0.000 2.097 305 A HA -0.279 4.041 4.320 -0.000 0.000 0.229 305 A C 1.897 179.502 177.584 0.036 0.000 0.571 305 A CA 1.976 54.034 52.037 0.035 0.000 1.156 305 A CB -1.635 17.392 19.000 0.045 0.000 1.413 305 A HN 2.198 nan 8.150 nan 0.000 0.705 306 L N 0.467 121.702 121.223 0.021 0.000 2.217 306 L HA 0.092 4.432 4.340 -0.000 0.000 0.211 306 L C 2.081 178.957 176.870 0.009 0.000 1.107 306 L CA 2.038 56.886 54.840 0.014 0.000 0.783 306 L CB -0.320 41.742 42.059 0.005 0.000 0.919 306 L HN 0.593 nan 8.230 nan 0.000 0.442 307 I N 1.503 122.077 120.570 0.007 0.000 2.069 307 I HA -0.211 3.959 4.170 -0.000 0.000 0.237 307 I C -0.189 175.932 176.117 0.008 0.000 1.053 307 I CA 1.911 63.213 61.300 0.003 0.000 1.311 307 I CB -2.839 35.161 38.000 0.001 0.000 1.030 307 I HN 0.275 nan 8.210 nan 0.000 0.398 308 P HA -0.148 nan 4.420 nan 0.000 0.226 308 P C 1.304 178.618 177.300 0.023 0.000 1.146 308 P CA 1.390 64.502 63.100 0.021 0.000 0.773 308 P CB -0.278 31.438 31.700 0.026 0.000 0.772 309 R N -0.299 120.213 120.500 0.019 0.000 2.297 309 R HA 0.110 4.450 4.340 -0.000 0.000 0.197 309 R C 0.759 177.063 176.300 0.006 0.000 0.943 309 R CA 0.586 56.694 56.100 0.014 0.000 1.038 309 R CB -0.150 30.157 30.300 0.011 0.000 0.957 309 R HN 0.257 nan 8.270 nan 0.000 0.484 310 L N -4.006 117.217 121.223 -0.000 0.000 3.631 310 L HA 0.268 4.608 4.340 -0.000 0.000 0.346 310 L C 0.686 177.543 176.870 -0.022 0.000 1.329 310 L CA -0.102 54.729 54.840 -0.016 0.000 1.018 310 L CB -0.621 41.422 42.059 -0.027 0.000 1.412 310 L HN -0.185 nan 8.230 nan 0.000 0.618 311 I N -0.861 119.706 120.570 -0.006 0.000 2.151 311 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 311 I C 1.596 177.703 176.117 -0.017 0.000 1.080 311 I CA 1.678 62.974 61.300 -0.006 0.000 1.339 311 I CB -0.809 37.197 38.000 0.010 0.000 1.039 311 I HN 0.202 nan 8.210 nan 0.000 0.409 312 D N 0.484 120.876 120.400 -0.013 0.000 2.363 312 D HA -0.081 4.559 4.640 -0.000 0.000 0.220 312 D C 1.673 177.915 176.300 -0.097 0.000 0.994 312 D CA 0.715 54.698 54.000 -0.028 0.000 0.890 312 D CB -0.049 40.761 40.800 0.015 0.000 0.906 312 D HN 0.483 nan 8.370 nan 0.000 0.530 313 E N -0.180 119.952 120.200 -0.113 0.000 2.474 313 E HA 0.148 4.498 4.350 -0.000 0.000 0.195 313 E C 2.004 178.511 176.600 -0.155 0.000 1.039 313 E CA -0.135 56.150 56.400 -0.191 0.000 0.881 313 E CB 0.096 29.696 29.700 -0.166 0.000 0.970 313 E HN 0.211 nan 8.360 nan 0.000 0.486 314 L N 0.775 121.940 121.223 -0.097 0.000 2.127 314 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 314 L C -0.758 176.068 176.870 -0.074 0.000 1.089 314 L CA 1.249 56.046 54.840 -0.071 0.000 0.757 314 L CB -1.179 40.854 42.059 -0.045 0.000 0.899 314 L HN 0.160 nan 8.230 nan 0.000 0.434 315 P HA -0.151 nan 4.420 nan 0.000 0.214 315 P C 1.598 178.859 177.300 -0.065 0.000 1.162 315 P CA 1.340 64.408 63.100 -0.054 0.000 0.879 315 P CB -0.001 31.681 31.700 -0.030 0.000 0.786 316 I N -2.548 117.935 120.570 -0.144 0.000 2.439 316 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 316 I C 2.253 178.304 176.117 -0.110 0.000 1.139 316 I CA 1.405 62.618 61.300 -0.144 0.000 1.438 316 I CB -1.346 36.456 38.000 -0.331 0.000 1.085 316 I HN -0.154 nan 8.210 nan 0.000 0.427 317 I N 1.353 121.852 120.570 -0.118 0.000 2.454 317 I HA -0.256 3.914 4.170 -0.000 0.000 0.254 317 I C 2.737 178.824 176.117 -0.051 0.000 1.156 317 I CA 1.174 62.427 61.300 -0.079 0.000 1.433 317 I CB -0.383 37.572 38.000 -0.074 0.000 1.082 317 I HN 0.310 nan 8.210 nan 0.000 0.432 318 A N 0.779 123.571 122.820 -0.047 0.000 1.873 318 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 318 A C 2.373 179.943 177.584 -0.024 0.000 1.186 318 A CA 1.224 53.243 52.037 -0.030 0.000 0.616 318 A CB -0.764 18.221 19.000 -0.025 0.000 0.823 318 A HN 0.415 nan 8.150 nan 0.000 0.442 319 L N -0.899 120.309 121.223 -0.024 0.000 2.046 319 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 319 L C 2.524 179.385 176.870 -0.014 0.000 1.077 319 L CA 1.988 56.820 54.840 -0.014 0.000 0.747 319 L CB -0.360 41.698 42.059 -0.003 0.000 0.896 319 L HN 0.478 nan 8.230 nan 0.000 0.432 320 L N 0.442 121.652 121.223 -0.021 0.000 2.012 320 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 320 L C 2.649 179.511 176.870 -0.013 0.000 1.073 320 L CA 2.149 56.979 54.840 -0.017 0.000 0.748 320 L CB -0.772 41.270 42.059 -0.028 0.000 0.891 320 L HN 0.245 nan 8.230 nan 0.000 0.431 321 A N -1.817 120.993 122.820 -0.017 0.000 1.940 321 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 321 A C 2.287 179.865 177.584 -0.010 0.000 1.176 321 A CA 2.271 54.300 52.037 -0.013 0.000 0.631 321 A CB -1.247 17.744 19.000 -0.015 0.000 0.814 321 A HN 0.527 nan 8.150 nan 0.000 0.446 322 T N -0.059 114.489 114.554 -0.011 0.000 2.803 322 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 322 T C 1.751 176.447 174.700 -0.007 0.000 1.052 322 T CA 1.622 63.715 62.100 -0.010 0.000 1.136 322 T CB -0.179 68.680 68.868 -0.015 0.000 0.864 322 T HN 0.492 nan 8.240 nan 0.000 0.467 323 Q N -0.040 119.758 119.800 -0.004 0.000 2.360 323 Q HA 0.396 4.736 4.340 -0.000 0.000 0.202 323 Q C 0.774 176.775 176.000 0.002 0.000 0.915 323 Q CA -0.071 55.733 55.803 0.001 0.000 0.943 323 Q CB 0.019 28.759 28.738 0.004 0.000 1.064 323 Q HN 0.504 nan 8.270 nan 0.000 0.511 324 A N 1.085 123.905 122.820 -0.000 0.000 2.304 324 A HA 0.299 4.618 4.320 -0.000 0.000 0.271 324 A C 0.161 177.746 177.584 0.002 0.000 1.091 324 A CA -0.390 51.647 52.037 0.001 0.000 0.812 324 A CB 0.563 19.562 19.000 -0.002 0.000 1.056 324 A HN -0.023 nan 8.150 nan 0.000 0.489 325 Q N 0.406 120.208 119.800 0.003 0.000 2.294 325 Q HA 0.495 4.835 4.340 -0.000 0.000 0.257 325 Q C 0.606 176.607 176.000 0.002 0.000 0.955 325 Q CA 1.238 57.043 55.803 0.004 0.000 0.936 325 Q CB 0.894 29.635 28.738 0.005 0.000 1.188 325 Q HN 1.552 nan 8.270 nan 0.000 0.420 326 G N 0.989 109.790 108.800 0.002 0.000 2.447 326 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 326 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 326 G C -1.182 173.718 174.900 0.000 0.000 1.261 326 G CA -0.666 44.435 45.100 0.001 0.000 1.000 326 G HN 0.436 nan 8.290 nan 0.000 0.515 327 V N 0.463 120.377 119.914 -0.001 0.000 2.532 327 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 327 V C 0.645 176.737 176.094 -0.003 0.000 1.041 327 V CA 0.424 62.723 62.300 -0.002 0.000 0.926 327 V CB 1.567 33.389 31.823 -0.001 0.000 0.992 327 V HN 1.384 nan 8.190 nan 0.000 0.457 328 T N 4.204 118.755 114.554 -0.005 0.000 2.840 328 T HA 0.633 4.983 4.350 -0.000 0.000 0.287 328 T C -1.106 173.589 174.700 -0.007 0.000 0.991 328 T CA -0.363 61.733 62.100 -0.007 0.000 0.964 328 T CB 1.206 70.069 68.868 -0.009 0.000 0.954 328 T HN 0.357 nan 8.240 nan 0.000 0.438 329 V N 6.964 126.873 119.914 -0.007 0.000 2.459 329 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 329 V C -0.127 175.961 176.094 -0.009 0.000 1.029 329 V CA -0.784 61.512 62.300 -0.007 0.000 0.874 329 V CB 1.531 33.350 31.823 -0.006 0.000 0.985 329 V HN 0.836 nan 8.190 nan 0.000 0.438 330 I N 6.140 126.704 120.570 -0.010 0.000 2.410 330 I HA 0.535 4.705 4.170 -0.000 0.000 0.286 330 I C -0.145 175.966 176.117 -0.010 0.000 1.009 330 I CA -0.462 60.831 61.300 -0.011 0.000 1.111 330 I CB 1.432 39.423 38.000 -0.014 0.000 1.262 330 I HN 0.719 nan 8.210 nan 0.000 0.443 331 K N 3.427 123.821 120.400 -0.009 0.000 2.439 331 K HA 0.586 4.906 4.320 -0.000 0.000 0.260 331 K C -0.737 175.858 176.600 -0.008 0.000 1.032 331 K CA -0.766 55.516 56.287 -0.008 0.000 0.882 331 K CB 1.646 34.142 32.500 -0.007 0.000 1.420 331 K HN 0.322 nan 8.250 nan 0.000 0.455 332 D N -1.173 119.222 120.400 -0.008 0.000 3.076 332 D HA -0.175 4.465 4.640 -0.000 0.000 0.218 332 D C -0.193 176.102 176.300 -0.008 0.000 1.156 332 D CA 1.544 55.539 54.000 -0.008 0.000 0.921 332 D CB -1.364 39.432 40.800 -0.007 0.000 1.113 332 D HN 0.695 nan 8.370 nan 0.000 0.418 333 A N 0.585 123.400 122.820 -0.008 0.000 2.827 333 A HA 0.214 4.534 4.320 -0.000 0.000 0.300 333 A C 1.690 179.269 177.584 -0.008 0.000 1.237 333 A CA -0.107 51.925 52.037 -0.008 0.000 0.964 333 A CB 0.244 19.238 19.000 -0.010 0.000 1.143 333 A HN 0.161 nan 8.150 nan 0.000 0.554 334 E N 0.483 120.678 120.200 -0.007 0.000 2.265 334 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 334 E C 0.580 177.177 176.600 -0.005 0.000 0.996 334 E CA 0.804 57.200 56.400 -0.007 0.000 0.832 334 E CB -0.209 29.487 29.700 -0.007 0.000 0.756 334 E HN 0.555 nan 8.360 nan 0.000 0.491 335 E N 0.923 121.121 120.200 -0.002 0.000 2.331 335 E HA -0.069 4.281 4.350 -0.000 0.000 0.199 335 E C 2.200 178.801 176.600 0.002 0.000 1.008 335 E CA 0.343 56.744 56.400 0.002 0.000 0.843 335 E CB -0.179 29.524 29.700 0.005 0.000 0.761 335 E HN 0.422 nan 8.360 nan 0.000 0.507 336 L N 0.407 121.629 121.223 -0.002 0.000 2.093 336 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 336 L C 2.235 179.101 176.870 -0.006 0.000 1.085 336 L CA 1.096 55.934 54.840 -0.004 0.000 0.755 336 L CB -0.276 41.777 42.059 -0.009 0.000 0.904 336 L HN 0.023 nan 8.230 nan 0.000 0.435 337 K N -0.682 119.712 120.400 -0.010 0.000 2.360 337 K HA -0.108 4.212 4.320 -0.000 0.000 0.201 337 K C 1.499 178.092 176.600 -0.012 0.000 1.046 337 K CA 0.719 56.997 56.287 -0.015 0.000 0.945 337 K CB 0.010 32.501 32.500 -0.016 0.000 0.750 337 K HN 0.136 nan 8.250 nan 0.000 0.464 338 V N 1.067 120.980 119.914 -0.003 0.000 3.271 338 V HA 0.032 4.152 4.120 -0.000 0.000 0.327 338 V C 0.171 176.271 176.094 0.011 0.000 1.389 338 V CA 0.056 62.357 62.300 0.002 0.000 1.156 338 V CB -0.156 31.670 31.823 0.005 0.000 1.103 338 V HN 0.114 nan 8.190 nan 0.000 0.453 339 K N 0.203 120.612 120.400 0.014 0.000 2.583 339 K HA 0.239 4.559 4.320 -0.000 0.000 0.266 339 K C 1.292 177.914 176.600 0.037 0.000 1.037 339 K CA -0.217 56.088 56.287 0.030 0.000 0.996 339 K CB 0.117 32.637 32.500 0.033 0.000 1.307 339 K HN 0.157 nan 8.250 nan 0.000 0.502 340 E N 0.404 120.642 120.200 0.063 0.000 2.233 340 E HA -0.163 4.186 4.350 -0.000 0.000 0.199 340 E C 0.277 176.913 176.600 0.059 0.000 1.004 340 E CA 1.549 57.995 56.400 0.075 0.000 0.819 340 E CB 0.016 29.793 29.700 0.128 0.000 0.738 340 E HN 0.662 nan 8.360 nan 0.000 0.478 341 T N -3.013 111.564 114.554 0.038 0.000 2.816 341 T HA 0.118 4.467 4.350 -0.000 0.000 0.299 341 T C -1.055 173.634 174.700 -0.019 0.000 1.230 341 T CA -1.114 60.987 62.100 0.002 0.000 1.007 341 T CB 1.719 70.595 68.868 0.012 0.000 1.289 341 T HN -0.183 nan 8.240 nan 0.000 0.508 342 D N 0.227 120.593 120.400 -0.057 0.000 2.383 342 D HA 0.170 4.810 4.640 -0.000 0.000 0.245 342 D C 1.000 177.275 176.300 -0.042 0.000 1.263 342 D CA -0.303 53.667 54.000 -0.049 0.000 0.936 342 D CB 0.527 41.285 40.800 -0.070 0.000 1.053 342 D HN 0.492 nan 8.370 nan 0.000 0.507 343 R N 2.903 123.391 120.500 -0.021 0.000 2.328 343 R HA 0.022 4.362 4.340 -0.000 0.000 0.207 343 R C 1.711 178.000 176.300 -0.018 0.000 1.056 343 R CA 0.490 56.581 56.100 -0.015 0.000 1.016 343 R CB 0.354 30.648 30.300 -0.009 0.000 0.872 343 R HN 0.552 nan 8.270 nan 0.000 0.471 344 I N -0.360 120.197 120.570 -0.023 0.000 2.296 344 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 344 I C 2.359 178.462 176.117 -0.023 0.000 1.087 344 I CA 0.883 62.170 61.300 -0.021 0.000 1.393 344 I CB -0.014 37.974 38.000 -0.020 0.000 1.093 344 I HN 0.065 nan 8.210 nan 0.000 0.421 345 Q N 0.721 120.500 119.800 -0.035 0.000 2.083 345 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 345 Q C 2.076 178.051 176.000 -0.041 0.000 0.969 345 Q CA 1.699 57.476 55.803 -0.043 0.000 0.838 345 Q CB -0.219 28.480 28.738 -0.066 0.000 0.900 345 Q HN 0.306 nan 8.270 nan 0.000 0.436 346 V N -0.622 119.261 119.914 -0.051 0.000 2.427 346 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 346 V C 2.188 178.297 176.094 0.025 0.000 1.051 346 V CA 1.406 63.695 62.300 -0.019 0.000 1.048 346 V CB -0.481 31.333 31.823 -0.014 0.000 0.666 346 V HN 0.182 nan 8.190 nan 0.000 0.456 347 V N 0.275 120.195 119.914 0.010 0.000 2.307 347 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 347 V C 2.706 178.805 176.094 0.009 0.000 1.045 347 V CA 1.931 64.238 62.300 0.012 0.000 1.024 347 V CB -1.003 30.820 31.823 -0.001 0.000 0.651 347 V HN 0.543 nan 8.190 nan 0.000 0.449 348 A N 0.132 122.954 122.820 0.002 0.000 1.858 348 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 348 A C 1.995 179.586 177.584 0.011 0.000 1.190 348 A CA 2.149 54.188 52.037 0.002 0.000 0.617 348 A CB -0.755 18.243 19.000 -0.003 0.000 0.827 348 A HN 0.534 nan 8.150 nan 0.000 0.443 349 D N 0.128 120.539 120.400 0.018 0.000 2.104 349 D HA -0.094 4.545 4.640 -0.000 0.000 0.194 349 D C 2.274 178.601 176.300 0.045 0.000 0.994 349 D CA 1.715 55.736 54.000 0.034 0.000 0.830 349 D CB -0.642 40.184 40.800 0.043 0.000 0.959 349 D HN 0.420 nan 8.370 nan 0.000 0.452 350 A N 0.882 123.734 122.820 0.053 0.000 1.851 350 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 350 A C 2.446 180.043 177.584 0.022 0.000 1.195 350 A CA 1.326 53.394 52.037 0.051 0.000 0.622 350 A CB -0.993 18.041 19.000 0.057 0.000 0.831 350 A HN 0.231 nan 8.150 nan 0.000 0.444 351 L N -0.436 120.792 121.223 0.008 0.000 2.093 351 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 351 L C 2.261 179.114 176.870 -0.027 0.000 1.085 351 L CA 1.081 55.912 54.840 -0.015 0.000 0.755 351 L CB -0.711 41.339 42.059 -0.014 0.000 0.904 351 L HN 0.390 nan 8.230 nan 0.000 0.435 352 N N 0.040 118.737 118.700 -0.004 0.000 2.223 352 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 352 N C 1.999 177.520 175.510 0.017 0.000 1.016 352 N CA 1.701 54.754 53.050 0.004 0.000 0.863 352 N CB -0.197 38.301 38.487 0.019 0.000 0.983 352 N HN 0.360 nan 8.380 nan 0.000 0.429 353 S N -0.799 114.918 115.700 0.029 0.000 2.607 353 S HA 0.102 4.572 4.470 -0.000 0.000 0.224 353 S C 1.657 176.286 174.600 0.049 0.000 0.969 353 S CA 0.381 58.623 58.200 0.071 0.000 0.927 353 S CB 0.012 63.254 63.200 0.070 0.000 0.772 353 S HN 0.223 nan 8.310 nan 0.000 0.533 354 M N -0.432 119.100 119.600 -0.114 0.000 2.470 354 M HA 0.354 4.834 4.480 -0.000 0.000 0.262 354 M C 1.712 177.543 176.300 -0.781 0.000 1.211 354 M CA 0.812 55.906 55.300 -0.343 0.000 1.125 354 M CB 1.093 33.598 32.600 -0.159 0.000 1.480 354 M HN 0.536 nan 8.290 nan 0.000 0.541 355 G N -0.368 108.179 108.800 -0.421 0.000 3.163 355 G HA2 0.504 4.464 3.960 -0.000 0.000 0.152 355 G HA3 0.504 4.464 3.960 -0.000 0.000 0.152 355 G C 0.290 175.137 174.900 -0.088 0.000 1.379 355 G CA 0.315 45.237 45.100 -0.297 0.000 0.789 355 G HN 0.564 nan 8.290 nan 0.000 0.960 356 A N 0.214 122.998 122.820 -0.061 0.000 6.365 356 A HA 0.225 4.545 4.320 -0.000 0.000 0.240 356 A C 0.520 178.100 177.584 -0.005 0.000 2.238 356 A CA 1.283 53.314 52.037 -0.010 0.000 0.699 356 A CB -1.336 17.680 19.000 0.027 0.000 0.959 356 A HN 1.731 nan 8.150 nan 0.000 0.362 357 D N -2.328 118.075 120.400 0.005 0.000 2.786 357 D HA -0.119 4.521 4.640 -0.000 0.000 0.243 357 D C -0.529 175.772 176.300 0.000 0.000 1.084 357 D CA 1.573 55.576 54.000 0.005 0.000 0.731 357 D CB -1.402 39.401 40.800 0.005 0.000 1.079 357 D HN 1.155 nan 8.370 nan 0.000 0.435 358 I N 0.833 121.403 120.570 0.001 0.000 2.468 358 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 358 I C 0.150 176.266 176.117 -0.000 0.000 1.038 358 I CA -0.507 60.791 61.300 -0.002 0.000 1.083 358 I CB 2.015 40.013 38.000 -0.004 0.000 1.223 358 I HN -0.168 nan 8.210 nan 0.000 0.443 359 T N 7.719 122.272 114.554 -0.001 0.000 2.762 359 T HA 0.295 4.644 4.350 -0.000 0.000 0.303 359 T C -2.343 172.354 174.700 -0.004 0.000 0.977 359 T CA -1.221 60.878 62.100 -0.001 0.000 0.961 359 T CB 0.675 69.543 68.868 -0.001 0.000 0.944 359 T HN 0.340 nan 8.240 nan 0.000 0.481 360 P HA 0.244 nan 4.420 nan 0.000 0.275 360 P C -0.218 177.077 177.300 -0.008 0.000 1.228 360 P CA -0.249 62.846 63.100 -0.008 0.000 0.786 360 P CB 0.894 32.588 31.700 -0.010 0.000 0.927 361 T N -2.353 112.195 114.554 -0.009 0.000 2.888 361 T HA 0.581 4.931 4.350 -0.000 0.000 0.288 361 T C 1.255 175.949 174.700 -0.010 0.000 1.063 361 T CA -0.273 61.822 62.100 -0.009 0.000 1.010 361 T CB 0.998 69.862 68.868 -0.008 0.000 1.214 361 T HN 0.241 nan 8.240 nan 0.000 0.533 362 A N 0.615 123.429 122.820 -0.010 0.000 2.019 362 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 362 A C 1.483 179.061 177.584 -0.010 0.000 1.164 362 A CA 1.842 53.873 52.037 -0.010 0.000 0.644 362 A CB -0.856 18.139 19.000 -0.009 0.000 0.805 362 A HN 0.946 nan 8.150 nan 0.000 0.449 363 D N -3.036 117.358 120.400 -0.010 0.000 2.571 363 D HA 0.435 5.075 4.640 -0.000 0.000 0.239 363 D C 0.581 176.875 176.300 -0.010 0.000 1.267 363 D CA 0.729 54.723 54.000 -0.009 0.000 0.823 363 D CB -0.101 40.694 40.800 -0.009 0.000 1.056 363 D HN 0.499 nan 8.370 nan 0.000 0.494 364 G N 0.167 108.960 108.800 -0.011 0.000 2.553 364 G HA2 0.393 4.353 3.960 -0.000 0.000 0.106 364 G HA3 0.393 4.353 3.960 -0.000 0.000 0.106 364 G C -1.394 173.500 174.900 -0.011 0.000 1.126 364 G CA -0.109 44.985 45.100 -0.011 0.000 1.075 364 G HN 0.491 nan 8.290 nan 0.000 0.472 365 M N -1.280 118.314 119.600 -0.011 0.000 2.605 365 M HA 0.749 5.229 4.480 -0.000 0.000 0.281 365 M C -2.213 174.082 176.300 -0.009 0.000 1.166 365 M CA -0.822 54.472 55.300 -0.010 0.000 0.875 365 M CB 1.857 34.451 32.600 -0.011 0.000 1.732 365 M HN 0.395 nan 8.290 nan 0.000 0.504 366 I N 2.698 123.264 120.570 -0.007 0.000 2.404 366 I HA 0.599 4.769 4.170 -0.000 0.000 0.293 366 I C -0.843 175.271 176.117 -0.005 0.000 0.992 366 I CA -0.459 60.838 61.300 -0.006 0.000 1.149 366 I CB 1.906 39.904 38.000 -0.004 0.000 1.315 366 I HN 0.591 nan 8.210 nan 0.000 0.446 367 I N 5.714 126.281 120.570 -0.006 0.000 2.447 367 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 367 I C -0.222 175.893 176.117 -0.004 0.000 1.023 367 I CA -0.850 60.447 61.300 -0.006 0.000 1.083 367 I CB 1.570 39.564 38.000 -0.009 0.000 1.245 367 I HN 0.468 nan 8.210 nan 0.000 0.434 368 K N 5.257 125.656 120.400 -0.002 0.000 2.253 368 K HA 0.511 4.831 4.320 -0.000 0.000 0.277 368 K C 0.161 176.761 176.600 -0.000 0.000 1.053 368 K CA -0.310 55.977 56.287 -0.000 0.000 0.892 368 K CB 1.170 33.672 32.500 0.002 0.000 1.102 368 K HN 0.827 nan 8.250 nan 0.000 0.469 369 G N 2.600 111.399 108.800 -0.001 0.000 2.537 369 G HA2 0.201 4.161 3.960 -0.000 0.000 0.273 369 G HA3 0.201 4.161 3.960 -0.000 0.000 0.273 369 G C -0.614 174.287 174.900 0.002 0.000 1.189 369 G CA -0.198 44.902 45.100 -0.001 0.000 0.881 369 G HN 0.627 nan 8.290 nan 0.000 0.535 370 K N -0.511 119.890 120.400 0.002 0.000 3.647 370 K HA -0.131 4.189 4.320 -0.000 0.000 0.301 370 K C -0.417 176.186 176.600 0.005 0.000 1.150 370 K CA 0.350 56.640 56.287 0.004 0.000 0.892 370 K CB -1.785 30.720 32.500 0.007 0.000 1.381 370 K HN 0.585 nan 8.250 nan 0.000 0.450 371 S N 0.541 116.241 115.700 -0.000 0.000 2.449 371 S HA 0.678 5.148 4.470 -0.000 0.000 0.310 371 S C 0.092 174.689 174.600 -0.005 0.000 1.096 371 S CA -0.308 57.890 58.200 -0.003 0.000 1.095 371 S CB 1.756 64.946 63.200 -0.016 0.000 1.007 371 S HN 0.481 nan 8.310 nan 0.000 0.474 372 A N 4.144 126.969 122.820 0.008 0.000 2.362 372 A HA 0.548 4.868 4.320 -0.000 0.000 0.276 372 A C -0.017 177.562 177.584 -0.008 0.000 1.153 372 A CA -0.443 51.603 52.037 0.014 0.000 0.813 372 A CB -0.130 18.892 19.000 0.037 0.000 1.081 372 A HN 0.846 nan 8.150 nan 0.000 0.507 373 L N 2.756 123.959 121.223 -0.033 0.000 2.379 373 L HA 0.566 4.906 4.340 -0.000 0.000 0.269 373 L C 0.424 177.266 176.870 -0.047 0.000 1.084 373 L CA -0.741 54.029 54.840 -0.118 0.000 0.802 373 L CB 1.100 43.101 42.059 -0.097 0.000 1.175 373 L HN 1.036 nan 8.230 nan 0.000 0.448 374 H N -0.665 118.416 119.070 0.019 0.000 2.906 374 H HA 0.685 5.241 4.556 -0.000 0.000 0.337 374 H C -0.029 175.310 175.328 0.018 0.000 1.257 374 H CA -0.776 55.282 56.048 0.017 0.000 1.192 374 H CB 0.382 30.153 29.762 0.015 0.000 1.912 374 H HN 0.579 nan 8.280 nan 0.000 0.573 375 G N -0.739 108.213 108.800 0.254 0.000 2.699 375 G HA2 0.492 4.452 3.960 -0.000 0.000 0.246 375 G HA3 0.492 4.452 3.960 -0.000 0.000 0.246 375 G C -0.531 174.484 174.900 0.191 0.000 1.219 375 G CA 0.228 45.424 45.100 0.159 0.000 0.866 375 G HN 1.211 nan 8.290 nan 0.000 0.572 376 A N -0.184 122.697 122.820 0.102 0.000 2.519 376 A HA 0.610 4.930 4.320 -0.000 0.000 0.298 376 A C -0.577 177.035 177.584 0.046 0.000 0.963 376 A CA -0.596 51.492 52.037 0.084 0.000 0.624 376 A CB 0.606 19.665 19.000 0.098 0.000 1.356 376 A HN 1.012 nan 8.150 nan 0.000 0.441 377 R N 0.950 121.471 120.500 0.035 0.000 2.295 377 R HA 0.679 5.019 4.340 -0.000 0.000 0.324 377 R C -1.568 174.738 176.300 0.009 0.000 0.968 377 R CA -0.292 55.816 56.100 0.012 0.000 0.837 377 R CB 1.178 31.479 30.300 0.002 0.000 1.133 377 R HN 0.645 nan 8.270 nan 0.000 0.450 378 V N 4.608 124.519 119.914 -0.004 0.000 2.604 378 V HA 0.313 4.433 4.120 -0.000 0.000 0.305 378 V C -0.320 175.732 176.094 -0.070 0.000 1.043 378 V CA -0.965 61.331 62.300 -0.006 0.000 0.888 378 V CB 1.794 33.628 31.823 0.019 0.000 0.995 378 V HN 0.839 nan 8.190 nan 0.000 0.429 379 N N 2.206 120.816 118.700 -0.149 0.000 2.419 379 N HA 0.191 4.931 4.740 -0.000 0.000 0.277 379 N C 0.747 176.088 175.510 -0.281 0.000 1.006 379 N CA -0.396 52.424 53.050 -0.382 0.000 0.923 379 N CB 1.894 39.836 38.487 -0.909 0.000 1.140 379 N HN 0.649 nan 8.380 nan 0.000 0.488 380 T N 3.163 117.614 114.554 -0.172 0.000 2.915 380 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 380 T C 0.275 175.043 174.700 0.114 0.000 1.071 380 T CA 0.741 62.834 62.100 -0.013 0.000 1.132 380 T CB -0.448 68.412 68.868 -0.013 0.000 0.878 380 T HN 0.710 nan 8.240 nan 0.000 0.479 381 F N -0.097 119.862 119.950 0.016 0.000 3.084 381 F HA -0.235 4.292 4.527 -0.000 0.000 0.286 381 F C 1.288 177.104 175.800 0.026 0.000 0.855 381 F CA 0.488 58.499 58.000 0.019 0.000 1.091 381 F CB -2.069 36.941 39.000 0.016 0.000 1.177 381 F HN 0.342 nan 8.300 nan 0.000 0.542 382 G N 0.230 109.106 108.800 0.128 0.000 2.147 382 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 382 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 382 G C -0.352 174.624 174.900 0.127 0.000 1.005 382 G CA 0.211 45.375 45.100 0.107 0.000 0.713 382 G HN 0.610 nan 8.290 nan 0.000 0.515 383 D N 0.036 120.521 120.400 0.141 0.000 2.453 383 D HA 0.342 4.982 4.640 -0.000 0.000 0.238 383 D C 1.784 178.160 176.300 0.125 0.000 1.088 383 D CA -0.395 53.705 54.000 0.167 0.000 0.854 383 D CB 0.222 41.096 40.800 0.123 0.000 1.076 383 D HN 0.349 nan 8.370 nan 0.000 0.533 384 H N 4.245 123.301 119.070 -0.023 0.000 2.431 384 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 384 H C 0.990 176.214 175.328 -0.173 0.000 1.115 384 H CA 0.976 56.962 56.048 -0.104 0.000 1.277 384 H CB 0.081 29.792 29.762 -0.085 0.000 1.372 384 H HN 0.287 nan 8.280 nan 0.000 0.516 385 R N 0.377 120.519 120.500 -0.595 0.000 2.090 385 R HA 0.005 4.344 4.340 -0.000 0.000 0.228 385 R C 2.605 178.823 176.300 -0.137 0.000 1.110 385 R CA 0.667 56.575 56.100 -0.320 0.000 0.973 385 R CB -0.204 29.962 30.300 -0.225 0.000 0.869 385 R HN 0.344 nan 8.270 nan 0.000 0.440 386 I N 0.265 120.778 120.570 -0.094 0.000 2.179 386 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 386 I C 2.445 178.511 176.117 -0.086 0.000 1.088 386 I CA 1.597 62.878 61.300 -0.031 0.000 1.357 386 I CB -1.781 36.242 38.000 0.039 0.000 1.051 386 I HN 0.192 nan 8.210 nan 0.000 0.409 387 G N 0.662 109.382 108.800 -0.134 0.000 2.476 387 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 387 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 387 G C 1.745 176.431 174.900 -0.357 0.000 1.164 387 G CA 0.733 45.730 45.100 -0.173 0.000 0.768 387 G HN 0.288 nan 8.290 nan 0.000 0.560 388 M N -0.218 118.954 119.600 -0.713 0.000 2.254 388 M HA 0.146 4.626 4.480 -0.000 0.000 0.265 388 M C 2.568 178.522 176.300 -0.576 0.000 1.066 388 M CA 1.013 55.565 55.300 -1.248 0.000 1.123 388 M CB -0.250 30.842 32.600 -2.514 0.000 1.388 388 M HN 0.350 nan 8.290 nan 0.000 0.425 389 M N 0.138 119.635 119.600 -0.171 0.000 2.086 389 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 389 M C 1.742 178.049 176.300 0.011 0.000 1.067 389 M CA 1.817 57.168 55.300 0.085 0.000 1.116 389 M CB -0.269 32.390 32.600 0.098 0.000 1.348 389 M HN 0.131 nan 8.290 nan 0.000 0.407 390 T N 1.206 115.745 114.554 -0.024 0.000 2.788 390 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 390 T C 1.869 176.592 174.700 0.040 0.000 1.044 390 T CA 1.470 63.575 62.100 0.009 0.000 1.139 390 T CB -0.544 68.330 68.868 0.010 0.000 0.867 390 T HN 0.616 nan 8.240 nan 0.000 0.454 391 A N 2.115 124.961 122.820 0.043 0.000 1.883 391 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 391 A C 2.325 179.990 177.584 0.135 0.000 1.186 391 A CA 1.742 53.874 52.037 0.159 0.000 0.624 391 A CB -0.796 18.370 19.000 0.276 0.000 0.822 391 A HN 0.722 nan 8.150 nan 0.000 0.444 392 I N -3.205 117.424 120.570 0.099 0.000 2.617 392 I HA 0.095 4.265 4.170 -0.000 0.000 0.256 392 I C 2.373 178.532 176.117 0.070 0.000 1.167 392 I CA 1.101 62.458 61.300 0.095 0.000 1.469 392 I CB -0.593 37.462 38.000 0.092 0.000 1.098 392 I HN 0.181 nan 8.210 nan 0.000 0.436 393 A N 1.924 124.776 122.820 0.053 0.000 1.933 393 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 393 A C 2.575 180.177 177.584 0.031 0.000 1.175 393 A CA 1.772 53.828 52.037 0.032 0.000 0.628 393 A CB -0.827 18.183 19.000 0.017 0.000 0.814 393 A HN 0.561 nan 8.150 nan 0.000 0.444 394 A N -0.118 122.730 122.820 0.046 0.000 2.019 394 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 394 A C 2.030 179.640 177.584 0.044 0.000 1.164 394 A CA 1.338 53.403 52.037 0.046 0.000 0.644 394 A CB -0.611 18.428 19.000 0.065 0.000 0.805 394 A HN 0.498 nan 8.150 nan 0.000 0.449 395 L N -0.832 120.422 121.223 0.052 0.000 2.261 395 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 395 L C 1.932 178.821 176.870 0.031 0.000 1.114 395 L CA 0.769 55.635 54.840 0.042 0.000 0.777 395 L CB -0.434 41.656 42.059 0.052 0.000 0.910 395 L HN 0.387 nan 8.230 nan 0.000 0.440 396 L N -1.019 120.222 121.223 0.030 0.000 2.567 396 L HA 0.078 4.418 4.340 -0.000 0.000 0.225 396 L C 0.616 177.500 176.870 0.023 0.000 1.119 396 L CA -0.305 54.549 54.840 0.024 0.000 0.871 396 L CB 0.255 42.325 42.059 0.018 0.000 1.036 396 L HN -0.065 nan 8.230 nan 0.000 0.459 397 V N 1.514 121.443 119.914 0.025 0.000 2.390 397 V HA 0.063 4.183 4.120 -0.000 0.000 0.260 397 V C 1.469 177.586 176.094 0.040 0.000 1.043 397 V CA 0.392 62.712 62.300 0.034 0.000 1.047 397 V CB 0.486 32.333 31.823 0.040 0.000 1.066 397 V HN 0.323 nan 8.190 nan 0.000 0.481 398 A N 3.925 126.770 122.820 0.042 0.000 1.877 398 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 398 A C 1.156 178.764 177.584 0.040 0.000 1.186 398 A CA 1.462 53.523 52.037 0.039 0.000 0.620 398 A CB -0.044 18.979 19.000 0.039 0.000 0.822 398 A HN 0.706 nan 8.150 nan 0.000 0.443 399 D N -1.797 118.632 120.400 0.048 0.000 2.473 399 D HA 0.511 5.151 4.640 -0.000 0.000 0.253 399 D C -0.191 176.140 176.300 0.052 0.000 1.233 399 D CA 1.006 55.031 54.000 0.043 0.000 0.908 399 D CB 0.787 41.608 40.800 0.035 0.000 1.170 399 D HN 0.615 nan 8.370 nan 0.000 0.558 400 G N 2.038 110.865 108.800 0.045 0.000 2.359 400 G HA2 0.295 4.255 3.960 -0.000 0.000 0.293 400 G HA3 0.295 4.255 3.960 -0.000 0.000 0.293 400 G C -1.612 173.314 174.900 0.043 0.000 1.300 400 G CA -0.706 44.424 45.100 0.049 0.000 0.888 400 G HN 0.202 nan 8.290 nan 0.000 0.541 401 E N -1.198 119.028 120.200 0.043 0.000 2.340 401 E HA 0.637 4.987 4.350 -0.000 0.000 0.273 401 E C -1.224 175.399 176.600 0.038 0.000 0.891 401 E CA -0.711 55.709 56.400 0.033 0.000 0.757 401 E CB 2.485 32.196 29.700 0.020 0.000 1.231 401 E HN 0.956 nan 8.360 nan 0.000 0.439 402 V N 2.443 122.375 119.914 0.031 0.000 2.444 402 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 402 V C -0.897 175.207 176.094 0.017 0.000 1.022 402 V CA -0.446 61.872 62.300 0.031 0.000 0.850 402 V CB 1.553 33.399 31.823 0.037 0.000 0.992 402 V HN 0.485 nan 8.190 nan 0.000 0.426 403 E N 5.636 125.842 120.200 0.010 0.000 2.166 403 E HA 0.404 4.754 4.350 -0.000 0.000 0.275 403 E C -1.130 175.466 176.600 -0.008 0.000 0.941 403 E CA -0.485 55.911 56.400 -0.006 0.000 0.784 403 E CB 2.494 32.187 29.700 -0.012 0.000 1.115 403 E HN 0.657 nan 8.360 nan 0.000 0.399 404 L N 3.895 125.111 121.223 -0.013 0.000 2.319 404 L HA 0.332 4.672 4.340 -0.000 0.000 0.281 404 L C -0.835 176.015 176.870 -0.034 0.000 1.005 404 L CA -0.610 54.223 54.840 -0.010 0.000 0.828 404 L CB 0.996 43.075 42.059 0.032 0.000 1.227 404 L HN 0.352 nan 8.230 nan 0.000 0.415 405 D N 4.812 125.174 120.400 -0.064 0.000 2.229 405 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 405 D C 0.070 176.318 176.300 -0.086 0.000 1.027 405 D CA -0.249 53.701 54.000 -0.083 0.000 0.923 405 D CB 1.487 42.214 40.800 -0.122 0.000 1.174 405 D HN 0.454 nan 8.370 nan 0.000 0.443 406 R N 0.485 120.946 120.500 -0.064 0.000 3.422 406 R HA -0.222 4.118 4.340 -0.000 0.000 0.267 406 R C 0.695 176.990 176.300 -0.008 0.000 1.074 406 R CA 0.476 56.551 56.100 -0.042 0.000 0.718 406 R CB -1.788 28.469 30.300 -0.071 0.000 1.157 406 R HN 0.497 nan 8.270 nan 0.000 0.440 407 A N 1.237 124.064 122.820 0.013 0.000 2.066 407 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 407 A C 1.944 179.583 177.584 0.092 0.000 1.157 407 A CA 1.252 53.330 52.037 0.068 0.000 0.670 407 A CB -0.126 18.936 19.000 0.105 0.000 0.804 407 A HN 0.537 nan 8.150 nan 0.000 0.453 408 E N 0.607 120.845 120.200 0.064 0.000 2.515 408 E HA -0.033 4.317 4.350 -0.000 0.000 0.201 408 E C 1.527 178.160 176.600 0.055 0.000 1.071 408 E CA 0.924 57.365 56.400 0.069 0.000 0.880 408 E CB -0.790 28.939 29.700 0.047 0.000 0.828 408 E HN 0.512 nan 8.360 nan 0.000 0.540 409 A N 1.608 124.456 122.820 0.047 0.000 2.067 409 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 409 A C 2.257 179.874 177.584 0.056 0.000 1.158 409 A CA 0.664 52.730 52.037 0.049 0.000 0.661 409 A CB -0.637 18.399 19.000 0.060 0.000 0.801 409 A HN 0.266 nan 8.150 nan 0.000 0.452 410 I N 0.306 120.898 120.570 0.036 0.000 2.567 410 I HA -0.215 3.955 4.170 -0.000 0.000 0.257 410 I C 1.304 177.442 176.117 0.035 0.000 1.184 410 I CA 0.661 61.955 61.300 -0.011 0.000 1.451 410 I CB -0.476 37.435 38.000 -0.149 0.000 1.089 410 I HN 0.277 nan 8.210 nan 0.000 0.441 411 N N 0.406 119.137 118.700 0.052 0.000 2.573 411 N HA -0.114 4.626 4.740 -0.000 0.000 0.187 411 N C 1.706 177.223 175.510 0.012 0.000 1.107 411 N CA 0.931 54.016 53.050 0.058 0.000 0.918 411 N CB -0.356 38.165 38.487 0.057 0.000 0.966 411 N HN 0.291 nan 8.380 nan 0.000 0.448 412 T N -0.324 114.204 114.554 -0.044 0.000 2.833 412 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 412 T C 1.781 176.374 174.700 -0.179 0.000 1.054 412 T CA 1.682 63.691 62.100 -0.151 0.000 1.135 412 T CB 0.039 68.722 68.868 -0.309 0.000 0.869 412 T HN 0.509 nan 8.240 nan 0.000 0.466 413 S N -1.821 113.818 115.700 -0.102 0.000 2.661 413 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 413 S C 0.088 174.756 174.600 0.113 0.000 1.075 413 S CA -0.719 57.473 58.200 -0.013 0.000 1.251 413 S CB 0.147 63.374 63.200 0.045 0.000 1.167 413 S HN 0.553 nan 8.310 nan 0.000 0.648 414 Y N 1.810 122.117 120.300 0.013 0.000 2.569 414 Y HA 0.347 4.896 4.550 -0.000 0.000 0.310 414 Y C -2.601 173.347 175.900 0.081 0.000 1.021 414 Y CA -2.037 56.097 58.100 0.057 0.000 1.152 414 Y CB 1.131 39.612 38.460 0.034 0.000 1.140 414 Y HN 0.087 nan 8.280 nan 0.000 0.621 415 P HA -0.249 nan 4.420 nan 0.000 0.218 415 P C 1.185 178.629 177.300 0.240 0.000 1.154 415 P CA 2.268 65.494 63.100 0.209 0.000 0.872 415 P CB 0.149 31.937 31.700 0.148 0.000 0.790 416 S N -2.714 113.182 115.700 0.327 0.000 2.679 416 S HA 0.076 4.546 4.470 -0.000 0.000 0.233 416 S C 1.355 176.040 174.600 0.143 0.000 0.951 416 S CA -0.581 57.774 58.200 0.258 0.000 0.973 416 S CB -1.524 61.830 63.200 0.256 0.000 0.778 416 S HN -0.011 nan 8.310 nan 0.000 0.477 417 F N 2.559 122.322 119.950 -0.312 0.000 2.065 417 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 417 F C 1.445 176.973 175.800 -0.454 0.000 1.112 417 F CA 1.390 58.812 58.000 -0.963 0.000 1.212 417 F CB -0.580 37.715 39.000 -1.174 0.000 0.975 417 F HN 0.287 nan 8.300 nan 0.000 0.476 418 F N 0.821 120.664 119.950 -0.179 0.000 2.234 418 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 418 F C 2.307 178.021 175.800 -0.143 0.000 1.087 418 F CA 1.422 59.300 58.000 -0.202 0.000 1.340 418 F CB -0.978 38.004 39.000 -0.031 0.000 1.031 418 F HN -0.001 nan 8.300 nan 0.000 0.500 419 D N 0.196 120.642 120.400 0.078 0.000 2.097 419 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 419 D C 1.827 178.113 176.300 -0.023 0.000 0.989 419 D CA 1.401 55.432 54.000 0.052 0.000 0.827 419 D CB -0.428 40.417 40.800 0.075 0.000 0.966 419 D HN 0.182 nan 8.370 nan 0.000 0.456 420 D N 0.043 120.403 120.400 -0.067 0.000 2.144 420 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 420 D C 2.106 178.207 176.300 -0.331 0.000 0.984 420 D CA 0.214 54.115 54.000 -0.164 0.000 0.834 420 D CB -0.317 40.447 40.800 -0.059 0.000 0.955 420 D HN 0.111 nan 8.370 nan 0.000 0.465 421 L N 1.421 122.480 121.223 -0.275 0.000 1.989 421 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 421 L C 1.774 178.552 176.870 -0.154 0.000 1.071 421 L CA 1.855 56.581 54.840 -0.190 0.000 0.749 421 L CB -0.594 41.371 42.059 -0.156 0.000 0.890 421 L HN -0.101 nan 8.230 nan 0.000 0.431 422 E N -0.262 119.894 120.200 -0.074 0.000 2.265 422 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 422 E C 2.266 178.858 176.600 -0.013 0.000 0.996 422 E CA 1.200 57.581 56.400 -0.031 0.000 0.832 422 E CB -0.201 29.531 29.700 0.053 0.000 0.756 422 E HN 0.795 nan 8.360 nan 0.000 0.491 423 S N 0.000 115.660 115.700 -0.067 0.000 2.414 423 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 423 S C 2.118 176.668 174.600 -0.084 0.000 1.022 423 S CA 0.240 58.412 58.200 -0.045 0.000 0.958 423 S CB -0.288 62.863 63.200 -0.082 0.000 0.797 423 S HN 0.161 nan 8.310 nan 0.000 0.493 424 L N 0.662 121.771 121.223 -0.188 0.000 2.131 424 L HA 0.184 4.524 4.340 -0.000 0.000 0.206 424 L C 2.482 179.253 176.870 -0.165 0.000 1.087 424 L CA 0.804 55.529 54.840 -0.192 0.000 0.767 424 L CB -0.540 41.328 42.059 -0.318 0.000 0.917 424 L HN 0.278 nan 8.230 nan 0.000 0.441 425 I N -1.044 119.378 120.570 -0.247 0.000 2.335 425 I HA -0.218 3.951 4.170 -0.000 0.000 0.251 425 I C 0.682 176.524 176.117 -0.460 0.000 1.129 425 I CA 0.821 61.879 61.300 -0.403 0.000 1.402 425 I CB -0.275 37.434 38.000 -0.484 0.000 1.069 425 I HN 0.260 nan 8.210 nan 0.000 0.424 426 H N 1.244 120.290 119.070 -0.040 0.000 2.556 426 H HA 0.468 5.024 4.556 -0.000 0.000 0.310 426 H C 0.589 175.972 175.328 0.092 0.000 1.057 426 H CA 0.470 56.539 56.048 0.036 0.000 1.264 426 H CB 0.750 30.522 29.762 0.016 0.000 1.404 426 H HN 0.296 nan 8.280 nan 0.000 0.462 427 G N 0.000 108.985 108.800 0.309 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.218 45.100 0.196 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925