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 2d5w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGPQDNSLVI GASQEPRVLA GDFLRVISNQ AIKSEIEQYL FAPFIGFNAD DATA SEQUENCE SQNFPVLATE VPTLENGRLR VTDIGGGKKR LEMDITIRPD AKWSDGRPIT DATA SEQUENCE TEDVAFYFEV GKAKGMPVLN PDFWERVNVR IKDARNFTLI FEPAYYYDTY DATA SEQUENCE GPINTYAPKH IMGPEWERVK AAARGLDPDK DAEKLNELYR NFFLKFATPQ DATA SEQUENCE ALNRGAMVYS GPFKLKRWVP GNSIEMERNP NFPIKPEGGE SKYVQKVVYR DATA SEQUENCE FIQNTNSLLV AVIGGSIDAT SSVSLTFDQG RSPQLVRRAP GRFDIWFVPG DATA SEQUENCE AIWEHIDINK FENcQVVKDL GLNDKRTRQA ILHALNREGL VKAFFDGLQP DATA SEQUENCE VAHTWIAPVN PLFNPNVKKY EFDLKKAEAL LAEMGWRKGP DGILQRTVNG DATA SEQUENCE RTVRFEIEYV TTAGNVVRER TQQFFAEDLK KIGIAVKINN APSAVVFADE DATA SEQUENCE FIQRASEcKW TGMFEFAWVS NLQEDGSLFQ YKNLNTGAIM VPTKENNYQG DATA SEQUENCE QNIGGWRNDE FDRLTSQAVL EFDPERRKQL FWRAQEIWAE ELPALPLYFR DATA SEQUENCE ANPYVVRKGL VNYVASAYSG GYGYPGWNAW EIGWESRGAV KKWDQAKYAL DATA SEQUENCE ST 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 0.000 176.135 176.300 -0.275 0.000 1.140 1 M CA 0.000 55.176 55.300 -0.206 0.000 0.988 1 M CB 0.000 32.517 32.600 -0.138 0.000 1.302 2 G N 1.287 109.778 108.800 -0.514 0.000 2.557 2 G HA2 0.064 4.023 3.960 -0.001 0.000 0.213 2 G HA3 0.064 4.023 3.960 -0.001 0.000 0.213 2 G C -1.331 172.951 174.900 -1.030 0.000 1.221 2 G CA 0.601 45.246 45.100 -0.758 0.000 0.832 2 G HN 0.317 nan 8.290 nan 0.000 0.556 3 P HA -0.033 nan 4.420 nan 0.000 0.222 3 P C 1.591 178.673 177.300 -0.363 0.000 1.147 3 P CA 1.116 63.723 63.100 -0.823 0.000 0.790 3 P CB 0.147 31.483 31.700 -0.607 0.000 0.780 4 Q N 1.500 121.094 119.800 -0.342 0.000 1.975 4 Q HA -0.204 4.135 4.340 -0.001 0.000 0.205 4 Q C 1.208 177.137 176.000 -0.118 0.000 0.990 4 Q CA 2.428 58.116 55.803 -0.191 0.000 0.845 4 Q CB -0.942 27.691 28.738 -0.176 0.000 0.913 4 Q HN 0.231 nan 8.270 nan 0.000 0.420 5 D N -1.788 118.550 120.400 -0.102 0.000 2.363 5 D HA 0.042 4.681 4.640 -0.001 0.000 0.214 5 D C -0.395 175.915 176.300 0.016 0.000 1.093 5 D CA 0.172 54.152 54.000 -0.034 0.000 0.837 5 D CB -0.382 40.404 40.800 -0.023 0.000 0.948 5 D HN 0.327 nan 8.370 nan 0.000 0.507 6 N N 0.273 118.981 118.700 0.013 0.000 2.708 6 N HA -0.187 4.552 4.740 -0.001 0.000 0.255 6 N C -1.131 174.518 175.510 0.231 0.000 1.046 6 N CA 0.931 54.077 53.050 0.159 0.000 0.715 6 N CB -1.351 37.223 38.487 0.146 0.000 0.895 6 N HN 0.510 nan 8.380 nan 0.000 0.545 7 S N -0.876 114.977 115.700 0.255 0.000 2.671 7 S HA 0.831 5.301 4.470 -0.001 0.000 0.299 7 S C -0.722 174.057 174.600 0.299 0.000 1.116 7 S CA -1.044 57.280 58.200 0.207 0.000 0.912 7 S CB 2.686 65.937 63.200 0.085 0.000 1.130 7 S HN 0.406 nan 8.310 nan 0.000 0.501 8 L N 1.462 122.738 121.223 0.087 0.000 2.406 8 L HA 0.681 5.021 4.340 -0.001 0.000 0.270 8 L C -1.620 175.163 176.870 -0.145 0.000 0.982 8 L CA -0.498 54.335 54.840 -0.013 0.000 0.843 8 L CB 1.597 43.567 42.059 -0.149 0.000 1.225 8 L HN 0.646 nan 8.230 nan 0.000 0.412 9 V N 6.705 126.548 119.914 -0.117 0.000 2.370 9 V HA 0.489 4.609 4.120 -0.001 0.000 0.279 9 V C 0.176 176.091 176.094 -0.298 0.000 1.029 9 V CA -0.274 61.907 62.300 -0.199 0.000 0.870 9 V CB 1.344 33.100 31.823 -0.112 0.000 0.984 9 V HN 0.607 nan 8.190 nan 0.000 0.451 10 I N 4.003 124.280 120.570 -0.489 0.000 2.378 10 I HA 0.582 4.751 4.170 -0.001 0.000 0.291 10 I C 0.813 176.630 176.117 -0.500 0.000 0.992 10 I CA -0.323 60.619 61.300 -0.596 0.000 1.154 10 I CB 1.845 39.199 38.000 -1.076 0.000 1.315 10 I HN 0.685 nan 8.210 nan 0.000 0.448 11 G N 4.403 113.030 108.800 -0.289 0.000 2.348 11 G HA2 0.729 4.688 3.960 -0.001 0.000 0.312 11 G HA3 0.729 4.688 3.960 -0.001 0.000 0.312 11 G C -0.841 174.019 174.900 -0.066 0.000 1.126 11 G CA -0.292 44.700 45.100 -0.179 0.000 0.865 11 G HN 0.766 nan 8.290 nan 0.000 0.474 12 A N 1.257 124.086 122.820 0.014 0.000 2.498 12 A HA 0.725 5.044 4.320 -0.001 0.000 0.298 12 A C 0.683 178.403 177.584 0.227 0.000 1.075 12 A CA 0.030 52.181 52.037 0.191 0.000 0.714 12 A CB 1.577 20.821 19.000 0.407 0.000 1.299 12 A HN 1.383 nan 8.150 nan 0.000 0.407 13 S N -0.057 115.767 115.700 0.207 0.000 2.540 13 S HA 0.290 4.759 4.470 -0.001 0.000 0.218 13 S C 0.262 174.967 174.600 0.174 0.000 0.977 13 S CA -0.007 58.294 58.200 0.168 0.000 0.918 13 S CB -0.092 63.173 63.200 0.109 0.000 0.806 13 S HN 0.665 nan 8.310 nan 0.000 0.496 14 Q N 0.464 120.397 119.800 0.222 0.000 2.389 14 Q HA 0.529 4.868 4.340 -0.001 0.000 0.277 14 Q C -1.520 174.495 176.000 0.026 0.000 1.082 14 Q CA -0.521 55.357 55.803 0.124 0.000 0.810 14 Q CB 2.383 31.204 28.738 0.140 0.000 1.374 14 Q HN 0.434 nan 8.270 nan 0.000 0.422 15 E N 1.865 121.929 120.200 -0.226 0.000 2.238 15 E HA 0.449 4.798 4.350 -0.001 0.000 0.267 15 E C -2.579 173.835 176.600 -0.310 0.000 0.887 15 E CA -2.386 53.596 56.400 -0.696 0.000 0.769 15 E CB 1.735 30.905 29.700 -0.883 0.000 1.187 15 E HN 0.205 nan 8.360 nan 0.000 0.416 16 P HA 0.034 nan 4.420 nan 0.000 0.268 16 P C -0.169 177.188 177.300 0.096 0.000 1.205 16 P CA -0.094 62.943 63.100 -0.104 0.000 0.771 16 P CB 0.734 32.300 31.700 -0.224 0.000 0.858 17 R N 3.611 124.179 120.500 0.113 0.000 2.093 17 R HA 0.019 4.359 4.340 -0.001 0.000 0.224 17 R C 0.313 176.781 176.300 0.279 0.000 1.101 17 R CA 1.423 57.614 56.100 0.151 0.000 0.979 17 R CB -0.622 29.727 30.300 0.081 0.000 0.877 17 R HN 0.420 nan 8.270 nan 0.000 0.441 18 V N -2.774 117.303 119.914 0.272 0.000 3.160 18 V HA 0.714 4.833 4.120 -0.001 0.000 0.310 18 V C -1.307 174.919 176.094 0.218 0.000 1.181 18 V CA -1.420 61.079 62.300 0.332 0.000 1.047 18 V CB 1.953 33.884 31.823 0.180 0.000 1.068 18 V HN 0.005 nan 8.190 nan 0.000 0.441 19 L N 1.275 122.642 121.223 0.240 0.000 2.506 19 L HA 0.900 5.239 4.340 -0.001 0.000 0.257 19 L C 0.584 177.578 176.870 0.206 0.000 0.964 19 L CA 0.768 55.663 54.840 0.093 0.000 0.836 19 L CB 1.721 43.671 42.059 -0.182 0.000 1.384 19 L HN 2.274 nan 8.230 nan 0.000 0.410 20 A N 2.861 125.811 122.820 0.217 0.000 1.467 20 A HA -0.287 4.033 4.320 -0.001 0.000 0.224 20 A C 1.551 179.195 177.584 0.100 0.000 0.387 20 A CA 2.079 54.295 52.037 0.298 0.000 1.098 20 A CB -2.565 16.792 19.000 0.596 0.000 1.464 20 A HN 1.758 nan 8.150 nan 0.000 0.719 21 G N -0.783 108.127 108.800 0.183 0.000 2.572 21 G HA2 0.190 4.149 3.960 -0.001 0.000 0.216 21 G HA3 0.190 4.149 3.960 -0.001 0.000 0.216 21 G C 0.612 175.597 174.900 0.141 0.000 1.133 21 G CA 1.477 46.692 45.100 0.193 0.000 0.791 21 G HN 0.837 nan 8.290 nan 0.000 0.538 22 D N 0.525 120.920 120.400 -0.008 0.000 2.994 22 D HA 0.115 4.754 4.640 -0.001 0.000 0.240 22 D C 1.569 177.635 176.300 -0.389 0.000 1.195 22 D CA -0.932 52.874 54.000 -0.324 0.000 0.957 22 D CB -0.705 39.982 40.800 -0.189 0.000 1.105 22 D HN 0.305 nan 8.370 nan 0.000 0.477 23 F N -0.712 119.039 119.950 -0.333 0.000 2.546 23 F HA 0.080 4.606 4.527 -0.001 0.000 0.298 23 F C 0.933 176.585 175.800 -0.246 0.000 1.120 23 F CA 0.407 58.243 58.000 -0.274 0.000 1.456 23 F CB -0.383 38.490 39.000 -0.210 0.000 1.088 23 F HN 0.109 nan 8.300 nan 0.000 0.572 24 L N 0.260 121.085 121.223 -0.663 0.000 2.640 24 L HA 0.297 4.636 4.340 -0.001 0.000 0.230 24 L C 0.631 177.300 176.870 -0.334 0.000 1.123 24 L CA -0.117 54.452 54.840 -0.451 0.000 0.900 24 L CB -0.294 41.349 42.059 -0.693 0.000 1.146 24 L HN 0.074 nan 8.230 nan 0.000 0.484 25 R N -1.083 119.201 120.500 -0.359 0.000 3.641 25 R HA -0.160 4.179 4.340 -0.001 0.000 0.286 25 R C 1.282 177.466 176.300 -0.194 0.000 1.153 25 R CA 0.559 56.530 56.100 -0.215 0.000 0.775 25 R CB -2.392 27.854 30.300 -0.090 0.000 1.215 25 R HN 0.407 nan 8.270 nan 0.000 0.474 26 V N -3.380 116.340 119.914 -0.324 0.000 2.719 26 V HA -0.019 4.100 4.120 -0.001 0.000 0.252 26 V C 1.846 177.890 176.094 -0.084 0.000 1.065 26 V CA 1.543 63.732 62.300 -0.185 0.000 1.086 26 V CB -0.232 31.460 31.823 -0.218 0.000 0.700 26 V HN 0.382 nan 8.190 nan 0.000 0.467 27 I N 0.327 120.831 120.570 -0.111 0.000 2.429 27 I HA 0.117 4.286 4.170 -0.001 0.000 0.247 27 I C 1.239 177.367 176.117 0.018 0.000 1.099 27 I CA 1.284 62.576 61.300 -0.013 0.000 1.422 27 I CB 0.247 38.250 38.000 0.007 0.000 1.112 27 I HN 0.402 nan 8.210 nan 0.000 0.430 28 S N 0.355 116.051 115.700 -0.008 0.000 2.575 28 S HA 0.322 4.791 4.470 -0.001 0.000 0.278 28 S C -0.417 174.181 174.600 -0.004 0.000 1.139 28 S CA -0.612 57.604 58.200 0.026 0.000 0.954 28 S CB 1.193 64.418 63.200 0.042 0.000 1.054 28 S HN 0.188 nan 8.310 nan 0.000 0.483 29 N N 3.232 121.939 118.700 0.012 0.000 2.351 29 N HA 0.214 4.953 4.740 -0.001 0.000 0.254 29 N C -0.416 175.065 175.510 -0.048 0.000 1.241 29 N CA -0.201 52.843 53.050 -0.010 0.000 0.883 29 N CB 0.380 38.887 38.487 0.034 0.000 1.202 29 N HN 0.687 nan 8.380 nan 0.000 0.512 30 Q N 0.038 119.813 119.800 -0.041 0.000 2.315 30 Q HA 0.119 4.458 4.340 -0.001 0.000 0.289 30 Q C 1.161 177.127 176.000 -0.055 0.000 1.044 30 Q CA 0.390 56.151 55.803 -0.070 0.000 0.920 30 Q CB 0.884 29.637 28.738 0.025 0.000 1.214 30 Q HN 0.403 nan 8.270 nan 0.000 0.392 31 A N 3.307 126.088 122.820 -0.065 0.000 1.940 31 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 31 A C 1.793 179.435 177.584 0.098 0.000 1.176 31 A CA 1.514 53.563 52.037 0.019 0.000 0.631 31 A CB -0.401 18.630 19.000 0.052 0.000 0.814 31 A HN 0.825 nan 8.150 nan 0.000 0.446 32 I N -0.161 120.455 120.570 0.076 0.000 2.286 32 I HA -0.196 3.974 4.170 -0.001 0.000 0.248 32 I C 2.179 178.282 176.117 -0.024 0.000 1.115 32 I CA 2.065 63.408 61.300 0.071 0.000 1.392 32 I CB -0.323 37.737 38.000 0.101 0.000 1.065 32 I HN 0.406 nan 8.210 nan 0.000 0.418 33 K N -0.256 120.124 120.400 -0.033 0.000 2.026 33 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 33 K C 2.184 178.767 176.600 -0.029 0.000 1.048 33 K CA 1.794 58.043 56.287 -0.064 0.000 0.929 33 K CB -0.186 32.289 32.500 -0.040 0.000 0.713 33 K HN 0.306 nan 8.250 nan 0.000 0.439 34 S N 0.782 116.493 115.700 0.018 0.000 2.382 34 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 34 S C 1.757 176.367 174.600 0.016 0.000 1.027 34 S CA 1.359 59.606 58.200 0.080 0.000 0.991 34 S CB -0.196 63.086 63.200 0.137 0.000 0.823 34 S HN 0.435 nan 8.310 nan 0.000 0.469 35 E N 0.861 121.000 120.200 -0.101 0.000 2.051 35 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 35 E C 1.961 178.496 176.600 -0.108 0.000 0.991 35 E CA 1.113 57.272 56.400 -0.401 0.000 0.799 35 E CB -0.180 29.379 29.700 -0.235 0.000 0.748 35 E HN 0.469 nan 8.360 nan 0.000 0.449 36 I N 1.092 121.570 120.570 -0.153 0.000 2.226 36 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 36 I C 2.167 178.313 176.117 0.049 0.000 1.100 36 I CA 1.265 62.425 61.300 -0.233 0.000 1.374 36 I CB -0.262 37.411 38.000 -0.544 0.000 1.057 36 I HN 0.164 nan 8.210 nan 0.000 0.413 37 E N 0.375 120.619 120.200 0.073 0.000 2.338 37 E HA -0.233 4.116 4.350 -0.001 0.000 0.197 37 E C 2.074 178.833 176.600 0.265 0.000 1.007 37 E CA 0.593 57.137 56.400 0.240 0.000 0.849 37 E CB -0.037 29.817 29.700 0.257 0.000 0.774 37 E HN 0.589 nan 8.360 nan 0.000 0.506 38 Q N -0.459 119.432 119.800 0.152 0.000 2.170 38 Q HA -0.176 4.164 4.340 -0.001 0.000 0.203 38 Q C 1.406 177.419 176.000 0.022 0.000 0.976 38 Q CA 1.217 57.064 55.803 0.074 0.000 0.858 38 Q CB -0.095 28.589 28.738 -0.089 0.000 0.907 38 Q HN 0.428 nan 8.270 nan 0.000 0.433 39 Y N 0.033 120.359 120.300 0.043 0.000 2.293 39 Y HA -0.121 4.428 4.550 -0.001 0.000 0.291 39 Y C 1.828 177.770 175.900 0.071 0.000 1.137 39 Y CA 0.837 58.989 58.100 0.085 0.000 1.202 39 Y CB 0.098 38.559 38.460 0.002 0.000 0.990 39 Y HN 0.055 nan 8.280 nan 0.000 0.537 40 L N -2.461 118.850 121.223 0.146 0.000 2.463 40 L HA 0.119 4.458 4.340 -0.001 0.000 0.219 40 L C -0.688 175.930 176.870 -0.420 0.000 1.088 40 L CA 0.232 55.002 54.840 -0.115 0.000 0.849 40 L CB 0.176 42.161 42.059 -0.124 0.000 1.012 40 L HN -0.050 nan 8.230 nan 0.000 0.468 41 F N -0.003 120.062 119.950 0.192 0.000 2.562 41 F HA 0.607 5.133 4.527 -0.001 0.000 0.319 41 F C 0.122 175.986 175.800 0.107 0.000 1.154 41 F CA -0.931 57.159 58.000 0.150 0.000 0.931 41 F CB 1.274 40.334 39.000 0.099 0.000 1.198 41 F HN -0.280 nan 8.300 nan 0.000 0.444 42 A N 4.925 127.904 122.820 0.265 0.000 2.312 42 A HA 0.882 5.201 4.320 -0.001 0.000 0.326 42 A C -2.603 175.088 177.584 0.178 0.000 1.172 42 A CA -1.715 50.463 52.037 0.235 0.000 0.821 42 A CB 0.781 19.977 19.000 0.328 0.000 1.166 42 A HN 0.404 nan 8.150 nan 0.000 0.493 43 P HA 0.315 nan 4.420 nan 0.000 0.278 43 P C 0.151 177.424 177.300 -0.045 0.000 1.266 43 P CA -0.333 62.787 63.100 0.032 0.000 0.807 43 P CB 0.668 32.420 31.700 0.087 0.000 1.094 44 F N -0.455 119.558 119.950 0.105 0.000 2.187 44 F HA 0.059 4.585 4.527 -0.001 0.000 0.295 44 F C 1.276 177.054 175.800 -0.038 0.000 1.091 44 F CA 0.833 58.842 58.000 0.014 0.000 1.308 44 F CB 0.183 39.231 39.000 0.080 0.000 1.030 44 F HN -0.007 nan 8.300 nan 0.000 0.487 45 I N 0.132 120.801 120.570 0.165 0.000 2.436 45 I HA 0.350 4.519 4.170 -0.001 0.000 0.289 45 I C 0.438 176.518 176.117 -0.061 0.000 1.010 45 I CA -0.417 60.893 61.300 0.016 0.000 1.098 45 I CB 0.736 38.790 38.000 0.090 0.000 1.266 45 I HN -0.073 nan 8.210 nan 0.000 0.434 46 G N 4.704 113.282 108.800 -0.369 0.000 2.552 46 G HA2 0.627 4.586 3.960 -0.001 0.000 0.318 46 G HA3 0.627 4.586 3.960 -0.001 0.000 0.318 46 G C -1.640 173.323 174.900 0.105 0.000 1.240 46 G CA -0.408 44.526 45.100 -0.277 0.000 1.002 46 G HN 0.391 nan 8.290 nan 0.000 0.493 47 F N 1.327 121.395 119.950 0.197 0.000 2.539 47 F HA 0.331 4.857 4.527 -0.001 0.000 0.328 47 F C 0.117 175.887 175.800 -0.051 0.000 1.148 47 F CA -1.224 56.850 58.000 0.123 0.000 0.940 47 F CB 1.536 40.503 39.000 -0.054 0.000 1.194 47 F HN 0.643 nan 8.300 nan 0.000 0.438 48 N N 3.790 122.190 118.700 -0.499 0.000 2.418 48 N HA 0.355 5.094 4.740 -0.001 0.000 0.283 48 N C 0.760 175.357 175.510 -1.523 0.000 1.267 48 N CA -0.011 52.232 53.050 -1.345 0.000 0.975 48 N CB 0.511 38.381 38.487 -1.029 0.000 1.167 48 N HN 0.517 nan 8.380 nan 0.000 0.581 49 A N -1.057 120.630 122.820 -1.889 0.000 2.070 49 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 49 A C 0.872 177.965 177.584 -0.818 0.000 1.159 49 A CA 1.283 52.495 52.037 -1.376 0.000 0.656 49 A CB -0.600 17.505 19.000 -1.492 0.000 0.800 49 A HN 0.687 nan 8.150 nan 0.000 0.453 50 D N -0.174 119.953 120.400 -0.455 0.000 2.319 50 D HA 0.171 4.811 4.640 -0.001 0.000 0.230 50 D C 0.186 176.308 176.300 -0.297 0.000 1.094 50 D CA 0.630 54.557 54.000 -0.122 0.000 0.856 50 D CB -0.050 40.791 40.800 0.068 0.000 0.915 50 D HN 0.201 nan 8.370 nan 0.000 0.517 51 S N 0.321 115.652 115.700 -0.614 0.000 3.749 51 S HA -0.213 4.256 4.470 -0.001 0.000 0.348 51 S C -0.011 174.007 174.600 -0.969 0.000 1.045 51 S CA 0.469 58.139 58.200 -0.884 0.000 1.051 51 S CB -1.318 61.746 63.200 -0.227 0.000 0.898 51 S HN 0.455 nan 8.310 nan 0.000 0.472 52 Q N 0.385 119.592 119.800 -0.989 0.000 2.375 52 Q HA 0.475 4.814 4.340 -0.001 0.000 0.271 52 Q C -0.502 175.373 176.000 -0.208 0.000 1.074 52 Q CA -1.079 54.476 55.803 -0.415 0.000 0.808 52 Q CB 0.997 29.645 28.738 -0.150 0.000 1.327 52 Q HN 0.180 nan 8.270 nan 0.000 0.441 53 N N 1.781 120.571 118.700 0.149 0.000 2.518 53 N HA 0.351 5.091 4.740 -0.001 0.000 0.266 53 N C -0.994 174.718 175.510 0.337 0.000 1.196 53 N CA 0.371 53.609 53.050 0.312 0.000 0.947 53 N CB 0.407 39.046 38.487 0.253 0.000 1.098 53 N HN 0.454 nan 8.380 nan 0.000 0.450 54 F N -0.633 119.401 119.950 0.140 0.000 2.631 54 F HA 0.621 5.147 4.527 -0.001 0.000 0.308 54 F C -2.989 172.910 175.800 0.164 0.000 1.097 54 F CA -2.534 55.553 58.000 0.146 0.000 0.952 54 F CB 1.319 40.428 39.000 0.183 0.000 1.307 54 F HN 0.236 nan 8.300 nan 0.000 0.450 55 P HA 0.264 nan 4.420 nan 0.000 0.280 55 P C -0.518 176.724 177.300 -0.097 0.000 1.244 55 P CA -0.082 63.002 63.100 -0.026 0.000 0.784 55 P CB 2.581 34.304 31.700 0.038 0.000 0.913 56 V N 3.768 123.587 119.914 -0.159 0.000 4.233 56 V HA 0.094 4.213 4.120 -0.001 0.000 0.183 56 V C 2.175 178.172 176.094 -0.162 0.000 1.097 56 V CA 0.241 62.436 62.300 -0.174 0.000 1.385 56 V CB -0.888 30.854 31.823 -0.136 0.000 1.805 56 V HN 0.350 nan 8.190 nan 0.000 0.496 57 L N 0.679 121.858 121.223 -0.074 0.000 2.554 57 L HA 0.347 4.686 4.340 -0.001 0.000 0.226 57 L C 0.974 177.878 176.870 0.057 0.000 1.137 57 L CA 0.427 55.231 54.840 -0.061 0.000 0.863 57 L CB -0.219 41.790 42.059 -0.083 0.000 0.985 57 L HN 0.403 nan 8.230 nan 0.000 0.451 58 A N -0.244 122.631 122.820 0.091 0.000 2.282 58 A HA 0.394 4.714 4.320 -0.001 0.000 0.319 58 A C 1.336 178.897 177.584 -0.039 0.000 1.121 58 A CA 0.125 52.175 52.037 0.022 0.000 0.836 58 A CB 0.644 19.655 19.000 0.019 0.000 1.146 58 A HN 0.271 nan 8.150 nan 0.000 0.494 59 T N -1.508 113.008 114.554 -0.064 0.000 2.904 59 T HA 0.112 4.462 4.350 -0.001 0.000 0.267 59 T C 0.384 175.063 174.700 -0.034 0.000 1.059 59 T CA 1.297 63.363 62.100 -0.057 0.000 1.137 59 T CB -0.516 68.314 68.868 -0.064 0.000 0.879 59 T HN 0.936 nan 8.240 nan 0.000 0.467 60 E N -0.493 119.687 120.200 -0.033 0.000 2.396 60 E HA 0.496 4.845 4.350 -0.001 0.000 0.280 60 E C -1.805 174.792 176.600 -0.006 0.000 1.065 60 E CA -1.182 55.214 56.400 -0.007 0.000 0.831 60 E CB 1.329 31.023 29.700 -0.011 0.000 1.272 60 E HN -0.064 nan 8.360 nan 0.000 0.443 61 V N 2.748 122.678 119.914 0.026 0.000 2.521 61 V HA 0.239 4.358 4.120 -0.001 0.000 0.286 61 V C -1.766 174.338 176.094 0.017 0.000 1.034 61 V CA -0.964 61.358 62.300 0.037 0.000 1.045 61 V CB 0.404 32.273 31.823 0.076 0.000 0.974 61 V HN 0.608 nan 8.190 nan 0.000 0.480 62 P HA 0.272 nan 4.420 nan 0.000 0.276 62 P C -0.382 176.926 177.300 0.013 0.000 1.230 62 P CA 0.114 63.208 63.100 -0.010 0.000 0.776 62 P CB 1.082 32.765 31.700 -0.028 0.000 0.888 63 T N -0.804 113.754 114.554 0.007 0.000 2.787 63 T HA 0.355 4.704 4.350 -0.001 0.000 0.297 63 T C 1.157 175.859 174.700 0.005 0.000 1.221 63 T CA -0.868 61.242 62.100 0.016 0.000 1.006 63 T CB 0.668 69.550 68.868 0.023 0.000 1.328 63 T HN 0.096 nan 8.240 nan 0.000 0.509 64 L N 0.266 121.493 121.223 0.007 0.000 2.093 64 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 64 L C 2.621 179.488 176.870 -0.004 0.000 1.085 64 L CA 1.364 56.202 54.840 -0.003 0.000 0.755 64 L CB -0.599 41.458 42.059 -0.003 0.000 0.904 64 L HN 0.732 nan 8.230 nan 0.000 0.435 65 E N 0.696 120.897 120.200 0.001 0.000 2.118 65 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 65 E C 1.374 177.971 176.600 -0.005 0.000 0.992 65 E CA 1.445 57.845 56.400 -0.000 0.000 0.804 65 E CB -0.369 29.335 29.700 0.005 0.000 0.741 65 E HN 0.621 nan 8.360 nan 0.000 0.458 66 N N -0.887 117.809 118.700 -0.006 0.000 2.268 66 N HA 0.131 4.870 4.740 -0.001 0.000 0.204 66 N C 0.945 176.444 175.510 -0.019 0.000 1.124 66 N CA 0.529 53.572 53.050 -0.012 0.000 0.838 66 N CB 0.625 39.104 38.487 -0.012 0.000 0.994 66 N HN 0.157 nan 8.380 nan 0.000 0.489 67 G N 0.595 109.384 108.800 -0.018 0.000 2.168 67 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.263 67 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.263 67 G C 1.058 175.939 174.900 -0.031 0.000 0.977 67 G CA 0.514 45.600 45.100 -0.024 0.000 0.659 67 G HN 0.483 nan 8.290 nan 0.000 0.533 68 R N -0.918 119.562 120.500 -0.033 0.000 2.275 68 R HA 0.338 4.677 4.340 -0.001 0.000 0.199 68 R C 0.858 177.137 176.300 -0.035 0.000 0.989 68 R CA 0.345 56.417 56.100 -0.047 0.000 1.016 68 R CB 0.137 30.403 30.300 -0.057 0.000 0.918 68 R HN 0.408 nan 8.270 nan 0.000 0.473 69 L N 0.992 122.203 121.223 -0.020 0.000 2.322 69 L HA 0.464 4.804 4.340 -0.001 0.000 0.281 69 L C -0.368 176.493 176.870 -0.016 0.000 1.014 69 L CA -0.683 54.151 54.840 -0.010 0.000 0.815 69 L CB 1.919 43.977 42.059 -0.002 0.000 1.247 69 L HN -0.072 nan 8.230 nan 0.000 0.421 70 R N 2.632 123.124 120.500 -0.013 0.000 2.514 70 R HA 0.583 4.923 4.340 -0.001 0.000 0.296 70 R C -1.463 174.820 176.300 -0.028 0.000 1.012 70 R CA -0.650 55.437 56.100 -0.022 0.000 0.897 70 R CB 2.681 32.968 30.300 -0.021 0.000 1.184 70 R HN 0.275 nan 8.270 nan 0.000 0.440 71 V N 2.677 122.561 119.914 -0.051 0.000 2.384 71 V HA 0.440 4.559 4.120 -0.001 0.000 0.287 71 V C 0.100 176.149 176.094 -0.075 0.000 1.020 71 V CA -0.605 61.648 62.300 -0.080 0.000 0.850 71 V CB 1.728 33.467 31.823 -0.140 0.000 0.987 71 V HN 0.898 nan 8.190 nan 0.000 0.436 72 T N 0.241 114.757 114.554 -0.063 0.000 2.863 72 T HA 0.509 4.858 4.350 -0.001 0.000 0.285 72 T C -0.814 173.852 174.700 -0.056 0.000 1.009 72 T CA -0.925 61.144 62.100 -0.052 0.000 0.989 72 T CB 1.793 70.641 68.868 -0.033 0.000 1.004 72 T HN 0.489 nan 8.240 nan 0.000 0.455 73 D N 2.545 122.914 120.400 -0.053 0.000 2.317 73 D HA 0.214 4.853 4.640 -0.001 0.000 0.252 73 D C 1.179 177.463 176.300 -0.028 0.000 1.174 73 D CA -0.321 53.651 54.000 -0.047 0.000 0.866 73 D CB 1.379 42.152 40.800 -0.045 0.000 1.127 73 D HN 0.761 nan 8.370 nan 0.000 0.467 74 I N -1.062 119.497 120.570 -0.018 0.000 3.941 74 I HA 0.379 4.548 4.170 -0.001 0.000 0.335 74 I C 0.682 176.797 176.117 -0.003 0.000 1.402 74 I CA -0.397 60.898 61.300 -0.008 0.000 1.112 74 I CB 0.089 38.089 38.000 0.000 0.000 1.043 74 I HN 0.375 nan 8.210 nan 0.000 0.395 75 G N 0.734 109.530 108.800 -0.007 0.000 2.690 75 G HA2 0.180 4.140 3.960 -0.001 0.000 0.686 75 G HA3 0.180 4.140 3.960 -0.001 0.000 0.686 75 G C 0.487 175.389 174.900 0.002 0.000 1.277 75 G CA -0.386 44.712 45.100 -0.003 0.000 0.799 75 G HN 1.291 nan 8.290 nan 0.000 0.613 76 G N -0.783 108.018 108.800 0.001 0.000 2.187 76 G HA2 0.335 4.295 3.960 -0.001 0.000 0.261 76 G HA3 0.335 4.295 3.960 -0.001 0.000 0.261 76 G C 2.068 176.973 174.900 0.008 0.000 1.000 76 G CA 1.182 46.285 45.100 0.005 0.000 0.718 76 G HN 3.155 nan 8.290 nan 0.000 0.519 77 G N -1.675 107.128 108.800 0.004 0.000 2.143 77 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.249 77 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.249 77 G C 0.318 175.232 174.900 0.023 0.000 0.981 77 G CA 1.252 46.357 45.100 0.007 0.000 0.665 77 G HN 0.970 nan 8.290 nan 0.000 0.528 78 K N -0.097 120.317 120.400 0.023 0.000 2.123 78 K HA 0.709 5.028 4.320 -0.001 0.000 0.248 78 K C 0.213 176.821 176.600 0.013 0.000 0.969 78 K CA -0.534 55.781 56.287 0.046 0.000 0.882 78 K CB 1.248 33.782 32.500 0.057 0.000 1.080 78 K HN 0.211 nan 8.250 nan 0.000 0.441 79 K N 0.861 121.275 120.400 0.024 0.000 2.444 79 K HA 0.410 4.730 4.320 -0.001 0.000 0.252 79 K C -0.994 175.613 176.600 0.011 0.000 0.993 79 K CA -1.023 55.247 56.287 -0.029 0.000 0.847 79 K CB 2.354 34.766 32.500 -0.147 0.000 1.340 79 K HN 0.349 nan 8.250 nan 0.000 0.446 80 R N 1.845 122.341 120.500 -0.007 0.000 2.437 80 R HA 0.413 4.753 4.340 -0.001 0.000 0.310 80 R C -1.676 174.637 176.300 0.023 0.000 0.955 80 R CA -0.744 55.369 56.100 0.021 0.000 0.851 80 R CB 0.943 31.246 30.300 0.006 0.000 1.161 80 R HN 0.515 nan 8.270 nan 0.000 0.446 81 L N 3.152 124.428 121.223 0.088 0.000 2.341 81 L HA 0.479 4.818 4.340 -0.001 0.000 0.278 81 L C -1.069 175.911 176.870 0.185 0.000 1.005 81 L CA -0.043 54.857 54.840 0.100 0.000 0.818 81 L CB 1.852 43.952 42.059 0.068 0.000 1.259 81 L HN 0.670 nan 8.230 nan 0.000 0.418 82 E N 5.762 126.024 120.200 0.103 0.000 2.187 82 E HA 0.439 4.788 4.350 -0.001 0.000 0.268 82 E C -1.209 175.439 176.600 0.079 0.000 0.896 82 E CA -0.570 55.881 56.400 0.086 0.000 0.766 82 E CB 2.450 32.160 29.700 0.016 0.000 1.142 82 E HN 0.643 nan 8.360 nan 0.000 0.408 83 M N 3.360 123.016 119.600 0.094 0.000 2.093 83 M HA 0.260 4.739 4.480 -0.001 0.000 0.297 83 M C -1.714 174.532 176.300 -0.090 0.000 0.938 83 M CA -0.703 54.624 55.300 0.045 0.000 0.920 83 M CB 1.103 33.804 32.600 0.168 0.000 1.517 83 M HN 0.293 nan 8.290 nan 0.000 0.427 84 D N 6.361 126.680 120.400 -0.134 0.000 2.295 84 D HA 0.436 5.075 4.640 -0.001 0.000 0.248 84 D C -0.514 175.581 176.300 -0.341 0.000 1.154 84 D CA 0.335 54.194 54.000 -0.236 0.000 0.857 84 D CB 1.155 41.860 40.800 -0.159 0.000 1.117 84 D HN 0.590 nan 8.370 nan 0.000 0.468 85 I N 1.372 121.558 120.570 -0.640 0.000 2.474 85 I HA 0.224 4.393 4.170 -0.001 0.000 0.294 85 I C 0.016 175.754 176.117 -0.632 0.000 1.005 85 I CA -0.570 60.293 61.300 -0.729 0.000 1.113 85 I CB 2.104 39.384 38.000 -1.201 0.000 1.289 85 I HN 0.028 nan 8.210 nan 0.000 0.436 86 T N 6.533 120.871 114.554 -0.360 0.000 2.786 86 T HA 0.531 4.880 4.350 -0.001 0.000 0.283 86 T C 0.006 174.600 174.700 -0.178 0.000 0.992 86 T CA -0.377 61.591 62.100 -0.220 0.000 0.954 86 T CB 0.843 69.626 68.868 -0.143 0.000 0.934 86 T HN 0.254 nan 8.240 nan 0.000 0.440 87 I N 3.359 123.851 120.570 -0.130 0.000 2.496 87 I HA 0.211 4.380 4.170 -0.001 0.000 0.285 87 I C 1.155 177.231 176.117 -0.068 0.000 1.080 87 I CA -0.549 60.700 61.300 -0.084 0.000 1.404 87 I CB 0.572 38.546 38.000 -0.044 0.000 1.403 87 I HN 0.377 nan 8.210 nan 0.000 0.539 88 R N 7.532 127.990 120.500 -0.070 0.000 2.698 88 R HA 0.023 4.362 4.340 -0.001 0.000 0.266 88 R C -1.241 175.007 176.300 -0.088 0.000 1.026 88 R CA -0.875 55.170 56.100 -0.091 0.000 1.102 88 R CB 0.191 30.413 30.300 -0.129 0.000 0.978 88 R HN 0.476 nan 8.270 nan 0.000 0.436 89 P HA -0.147 nan 4.420 nan 0.000 0.222 89 P C -0.113 177.140 177.300 -0.077 0.000 1.147 89 P CA 1.297 64.357 63.100 -0.066 0.000 0.790 89 P CB 0.192 31.858 31.700 -0.056 0.000 0.780 90 D N -0.853 119.485 120.400 -0.105 0.000 2.368 90 D HA 0.218 4.857 4.640 -0.001 0.000 0.218 90 D C 0.460 176.665 176.300 -0.158 0.000 1.112 90 D CA -0.607 53.321 54.000 -0.119 0.000 0.834 90 D CB -0.621 40.100 40.800 -0.131 0.000 0.953 90 D HN 0.021 nan 8.370 nan 0.000 0.505 91 A N 0.784 123.505 122.820 -0.165 0.000 2.451 91 A HA 0.436 4.755 4.320 -0.001 0.000 0.266 91 A C 0.178 177.642 177.584 -0.200 0.000 1.119 91 A CA -0.130 51.780 52.037 -0.212 0.000 0.786 91 A CB 0.195 19.072 19.000 -0.204 0.000 1.061 91 A HN 0.133 nan 8.150 nan 0.000 0.503 92 K N 1.755 122.041 120.400 -0.190 0.000 2.502 92 K HA 0.349 4.668 4.320 -0.001 0.000 0.257 92 K C -1.351 175.198 176.600 -0.085 0.000 0.938 92 K CA -0.491 55.721 56.287 -0.125 0.000 0.819 92 K CB 1.739 34.229 32.500 -0.016 0.000 1.333 92 K HN 0.753 nan 8.250 nan 0.000 0.434 93 W N 0.812 122.183 121.300 0.118 0.000 2.129 93 W HA -0.013 4.647 4.660 -0.001 0.000 0.349 93 W C 1.736 178.337 176.519 0.136 0.000 1.279 93 W CA -0.082 57.359 57.345 0.160 0.000 1.306 93 W CB 0.594 30.183 29.460 0.216 0.000 1.140 93 W HN 0.735 nan 8.180 nan 0.000 0.613 94 S N -0.400 115.561 115.700 0.434 0.000 2.500 94 S HA -0.238 4.231 4.470 -0.001 0.000 0.239 94 S C 0.958 175.710 174.600 0.254 0.000 0.989 94 S CA 1.449 59.831 58.200 0.303 0.000 0.951 94 S CB -0.460 62.947 63.200 0.345 0.000 0.759 94 S HN 0.629 nan 8.310 nan 0.000 0.523 95 D N -0.042 120.526 120.400 0.280 0.000 2.339 95 D HA 0.287 4.927 4.640 -0.001 0.000 0.217 95 D C 1.403 177.805 176.300 0.171 0.000 1.050 95 D CA 0.521 54.647 54.000 0.210 0.000 0.856 95 D CB -0.470 40.459 40.800 0.214 0.000 0.922 95 D HN 0.528 nan 8.370 nan 0.000 0.518 96 G N 0.166 109.075 108.800 0.182 0.000 2.213 96 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.236 96 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.236 96 G C 0.328 175.293 174.900 0.109 0.000 0.991 96 G CA -0.315 44.858 45.100 0.123 0.000 0.629 96 G HN 0.311 nan 8.290 nan 0.000 0.517 97 R N 1.478 122.060 120.500 0.136 0.000 2.594 97 R HA 0.378 4.718 4.340 -0.001 0.000 0.272 97 R C -2.167 174.243 176.300 0.183 0.000 1.074 97 R CA -1.758 54.382 56.100 0.065 0.000 1.105 97 R CB 0.086 30.245 30.300 -0.236 0.000 1.008 97 R HN 0.317 nan 8.270 nan 0.000 0.472 98 P HA 0.176 nan 4.420 nan 0.000 0.275 98 P C -0.186 177.184 177.300 0.117 0.000 1.228 98 P CA -0.122 63.018 63.100 0.066 0.000 0.786 98 P CB 0.730 32.448 31.700 0.030 0.000 0.927 99 I N 2.431 122.950 120.570 -0.085 0.000 2.325 99 I HA 0.225 4.394 4.170 -0.001 0.000 0.291 99 I C 1.246 177.363 176.117 0.000 0.000 1.019 99 I CA 0.219 61.433 61.300 -0.145 0.000 1.302 99 I CB 1.057 38.747 38.000 -0.517 0.000 1.401 99 I HN 0.456 nan 8.210 nan 0.000 0.485 100 T N -0.121 114.506 114.554 0.120 0.000 2.831 100 T HA 0.236 4.585 4.350 -0.001 0.000 0.287 100 T C 0.986 175.732 174.700 0.077 0.000 1.070 100 T CA -0.140 62.008 62.100 0.081 0.000 1.010 100 T CB 1.474 70.397 68.868 0.091 0.000 1.264 100 T HN 0.582 nan 8.240 nan 0.000 0.532 101 T N -1.653 112.920 114.554 0.031 0.000 3.051 101 T HA 0.027 4.376 4.350 -0.001 0.000 0.269 101 T C 1.283 176.009 174.700 0.044 0.000 1.127 101 T CA 0.963 63.043 62.100 -0.033 0.000 1.107 101 T CB -0.567 68.294 68.868 -0.012 0.000 0.898 101 T HN 0.726 nan 8.240 nan 0.000 0.517 102 E N 1.247 121.512 120.200 0.109 0.000 2.152 102 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 102 E C 1.632 178.376 176.600 0.240 0.000 0.983 102 E CA 1.011 57.502 56.400 0.152 0.000 0.818 102 E CB -0.075 29.706 29.700 0.134 0.000 0.758 102 E HN 0.563 nan 8.360 nan 0.000 0.467 103 D N 0.410 120.986 120.400 0.294 0.000 2.183 103 D HA -0.090 4.549 4.640 -0.001 0.000 0.203 103 D C 2.045 178.604 176.300 0.432 0.000 0.969 103 D CA 0.626 54.894 54.000 0.447 0.000 0.842 103 D CB 0.139 41.331 40.800 0.654 0.000 0.957 103 D HN 0.038 nan 8.370 nan 0.000 0.484 104 V N 1.485 121.554 119.914 0.259 0.000 2.323 104 V HA -0.146 3.974 4.120 -0.001 0.000 0.244 104 V C 2.591 178.880 176.094 0.326 0.000 1.041 104 V CA 1.579 63.990 62.300 0.186 0.000 1.025 104 V CB -0.711 30.890 31.823 -0.369 0.000 0.656 104 V HN 0.141 nan 8.190 nan 0.000 0.451 105 A N -0.149 122.801 122.820 0.217 0.000 1.908 105 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 105 A C 2.117 179.904 177.584 0.338 0.000 1.181 105 A CA 2.097 54.280 52.037 0.243 0.000 0.627 105 A CB -0.723 18.378 19.000 0.169 0.000 0.818 105 A HN 0.528 nan 8.150 nan 0.000 0.445 106 F N -0.649 119.411 119.950 0.183 0.000 2.102 106 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 106 F C 2.098 177.952 175.800 0.089 0.000 1.105 106 F CA 1.673 59.734 58.000 0.103 0.000 1.239 106 F CB -0.913 38.124 39.000 0.060 0.000 0.991 106 F HN 0.385 nan 8.300 nan 0.000 0.474 107 Y N -0.242 119.965 120.300 -0.156 0.000 2.114 107 Y HA -0.310 4.239 4.550 -0.001 0.000 0.282 107 Y C 2.163 178.025 175.900 -0.064 0.000 1.165 107 Y CA 2.281 60.247 58.100 -0.223 0.000 1.148 107 Y CB -0.953 37.500 38.460 -0.012 0.000 0.972 107 Y HN 0.093 nan 8.280 nan 0.000 0.504 108 F N 0.622 120.716 119.950 0.240 0.000 2.186 108 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 108 F C 2.587 178.391 175.800 0.006 0.000 1.090 108 F CA 1.937 60.107 58.000 0.283 0.000 1.307 108 F CB -0.564 38.626 39.000 0.318 0.000 1.019 108 F HN 0.170 nan 8.300 nan 0.000 0.489 109 E N 0.124 120.378 120.200 0.091 0.000 2.077 109 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 109 E C 2.207 178.661 176.600 -0.244 0.000 0.989 109 E CA 1.409 57.826 56.400 0.028 0.000 0.800 109 E CB -0.049 29.748 29.700 0.162 0.000 0.746 109 E HN 0.192 nan 8.360 nan 0.000 0.452 110 V N 0.378 119.864 119.914 -0.714 0.000 2.358 110 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 110 V C 2.391 177.955 176.094 -0.884 0.000 1.047 110 V CA 1.832 63.478 62.300 -1.089 0.000 1.035 110 V CB -0.813 30.261 31.823 -1.248 0.000 0.658 110 V HN 0.495 nan 8.190 nan 0.000 0.452 111 G N -0.380 107.744 108.800 -1.127 0.000 2.432 111 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 111 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 111 G C 1.555 175.618 174.900 -1.395 0.000 1.135 111 G CA 0.374 44.279 45.100 -1.991 0.000 0.767 111 G HN 0.372 nan 8.290 nan 0.000 0.550 112 K N 0.799 120.833 120.400 -0.610 0.000 2.459 112 K HA 0.266 4.585 4.320 -0.001 0.000 0.193 112 K C 1.277 177.815 176.600 -0.104 0.000 1.030 112 K CA 0.211 56.416 56.287 -0.137 0.000 1.026 112 K CB 0.073 32.636 32.500 0.105 0.000 0.809 112 K HN 0.270 nan 8.250 nan 0.000 0.504 113 A N 2.704 125.420 122.820 -0.174 0.000 2.546 113 A HA 0.003 4.322 4.320 -0.001 0.000 0.243 113 A C 0.146 177.706 177.584 -0.041 0.000 1.063 113 A CA 0.047 52.057 52.037 -0.044 0.000 0.757 113 A CB 0.144 19.116 19.000 -0.046 0.000 0.991 113 A HN -0.020 nan 8.150 nan 0.000 0.503 114 K N 1.567 122.008 120.400 0.068 0.000 2.447 114 K HA 0.283 4.602 4.320 -0.001 0.000 0.281 114 K C 1.244 177.947 176.600 0.172 0.000 1.031 114 K CA 1.113 57.453 56.287 0.089 0.000 1.019 114 K CB 0.274 32.826 32.500 0.088 0.000 0.918 114 K HN 1.628 nan 8.250 nan 0.000 0.476 115 G N 1.858 110.739 108.800 0.135 0.000 2.176 115 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.253 115 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.253 115 G C 0.156 175.207 174.900 0.252 0.000 0.979 115 G CA 0.241 45.468 45.100 0.212 0.000 0.641 115 G HN 0.526 nan 8.290 nan 0.000 0.530 116 M N 2.874 122.486 119.600 0.020 0.000 2.246 116 M HA 0.416 4.895 4.480 -0.001 0.000 0.350 116 M C -1.601 174.691 176.300 -0.013 0.000 1.406 116 M CA -2.387 52.809 55.300 -0.173 0.000 1.089 116 M CB 0.417 32.746 32.600 -0.452 0.000 1.782 116 M HN 0.006 nan 8.290 nan 0.000 0.457 117 P HA 0.060 nan 4.420 nan 0.000 0.232 117 P C -0.552 176.767 177.300 0.031 0.000 1.738 117 P CA -0.199 62.970 63.100 0.115 0.000 0.948 117 P CB -1.125 30.685 31.700 0.183 0.000 1.943 118 V N -1.141 118.759 119.914 -0.024 0.000 2.843 118 V HA 0.046 4.165 4.120 -0.001 0.000 0.305 118 V C 1.738 177.881 176.094 0.083 0.000 1.065 118 V CA -0.110 62.178 62.300 -0.020 0.000 1.116 118 V CB 0.268 32.067 31.823 -0.040 0.000 0.968 118 V HN 0.078 nan 8.190 nan 0.000 0.487 119 L N 2.051 123.329 121.223 0.091 0.000 2.156 119 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 119 L C 1.049 177.996 176.870 0.129 0.000 1.095 119 L CA 1.103 56.005 54.840 0.103 0.000 0.770 119 L CB -0.338 41.766 42.059 0.075 0.000 0.914 119 L HN 0.994 nan 8.230 nan 0.000 0.439 120 N N -1.103 117.712 118.700 0.192 0.000 2.804 120 N HA 0.208 4.948 4.740 -0.001 0.000 0.251 120 N C -2.519 173.190 175.510 0.332 0.000 1.250 120 N CA -1.455 51.723 53.050 0.214 0.000 0.820 120 N CB 1.136 39.715 38.487 0.154 0.000 1.156 120 N HN -0.119 nan 8.380 nan 0.000 0.512 121 P HA -0.129 nan 4.420 nan 0.000 0.222 121 P C 1.111 178.558 177.300 0.245 0.000 1.147 121 P CA 0.833 64.095 63.100 0.269 0.000 0.790 121 P CB 0.420 32.216 31.700 0.160 0.000 0.780 122 D N -0.987 119.541 120.400 0.213 0.000 2.097 122 D HA -0.187 4.452 4.640 -0.001 0.000 0.197 122 D C 1.762 178.133 176.300 0.119 0.000 0.984 122 D CA 0.952 55.055 54.000 0.172 0.000 0.826 122 D CB -0.461 40.473 40.800 0.223 0.000 0.973 122 D HN 0.074 nan 8.370 nan 0.000 0.460 123 F N 0.445 120.380 119.950 -0.024 0.000 2.095 123 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 123 F C 1.897 177.520 175.800 -0.295 0.000 1.104 123 F CA 1.743 59.621 58.000 -0.203 0.000 1.232 123 F CB -0.776 38.037 39.000 -0.313 0.000 0.987 123 F HN 0.004 nan 8.300 nan 0.000 0.475 124 W N 0.746 122.151 121.300 0.174 0.000 2.611 124 W HA -0.063 4.596 4.660 -0.001 0.000 0.251 124 W C 2.133 178.627 176.519 -0.041 0.000 1.265 124 W CA 0.519 57.887 57.345 0.037 0.000 1.295 124 W CB -0.084 29.435 29.460 0.098 0.000 1.129 124 W HN 0.037 nan 8.180 nan 0.000 0.630 125 E N -0.030 120.228 120.200 0.096 0.000 2.166 125 E HA -0.025 4.324 4.350 -0.001 0.000 0.192 125 E C 2.053 178.628 176.600 -0.041 0.000 0.967 125 E CA 0.808 57.241 56.400 0.055 0.000 0.840 125 E CB -0.163 29.576 29.700 0.064 0.000 0.795 125 E HN 0.485 nan 8.360 nan 0.000 0.470 126 R N 0.177 120.587 120.500 -0.151 0.000 2.362 126 R HA 0.232 4.571 4.340 -0.001 0.000 0.227 126 R C 0.209 176.322 176.300 -0.311 0.000 0.905 126 R CA 0.053 56.037 56.100 -0.194 0.000 1.067 126 R CB 0.432 30.608 30.300 -0.207 0.000 1.078 126 R HN -0.193 nan 8.270 nan 0.000 0.516 127 V N 1.854 121.470 119.914 -0.496 0.000 2.513 127 V HA 0.403 4.522 4.120 -0.001 0.000 0.299 127 V C -0.543 175.381 176.094 -0.284 0.000 1.035 127 V CA -0.848 61.059 62.300 -0.655 0.000 0.889 127 V CB 1.603 32.612 31.823 -1.355 0.000 0.988 127 V HN 0.270 nan 8.190 nan 0.000 0.440 128 N N 1.459 119.991 118.700 -0.280 0.000 2.697 128 N HA 0.711 5.450 4.740 -0.001 0.000 0.272 128 N C -1.646 173.558 175.510 -0.509 0.000 1.381 128 N CA -0.382 52.535 53.050 -0.220 0.000 0.797 128 N CB 2.712 41.111 38.487 -0.147 0.000 1.523 128 N HN 0.443 nan 8.380 nan 0.000 0.518 129 V N 0.233 119.775 119.914 -0.620 0.000 2.876 129 V HA 0.583 4.702 4.120 -0.001 0.000 0.312 129 V C -1.119 174.814 176.094 -0.270 0.000 1.085 129 V CA -0.683 61.269 62.300 -0.581 0.000 0.945 129 V CB 2.391 33.594 31.823 -1.034 0.000 1.017 129 V HN 0.663 nan 8.190 nan 0.000 0.428 130 R N 5.778 126.195 120.500 -0.139 0.000 2.513 130 R HA 0.607 4.947 4.340 -0.001 0.000 0.301 130 R C -1.546 174.752 176.300 -0.004 0.000 0.968 130 R CA -0.722 55.339 56.100 -0.066 0.000 0.872 130 R CB 1.467 31.734 30.300 -0.054 0.000 1.177 130 R HN 0.650 nan 8.270 nan 0.000 0.444 131 I N 5.336 125.907 120.570 0.003 0.000 2.321 131 I HA 0.135 4.304 4.170 -0.001 0.000 0.291 131 I C 0.967 177.101 176.117 0.028 0.000 0.998 131 I CA -0.111 61.212 61.300 0.038 0.000 1.227 131 I CB 1.530 39.544 38.000 0.025 0.000 1.368 131 I HN 0.810 nan 8.210 nan 0.000 0.466 132 K N 4.291 124.712 120.400 0.034 0.000 2.099 132 K HA -0.002 4.317 4.320 -0.001 0.000 0.203 132 K C -0.171 176.438 176.600 0.015 0.000 1.047 132 K CA 0.980 57.275 56.287 0.012 0.000 0.963 132 K CB 0.561 33.059 32.500 -0.003 0.000 0.759 132 K HN 0.859 nan 8.250 nan 0.000 0.451 133 D N -2.970 117.444 120.400 0.024 0.000 2.946 133 D HA 0.224 4.864 4.640 -0.001 0.000 0.337 133 D C 0.177 176.495 176.300 0.030 0.000 1.332 133 D CA -0.232 53.780 54.000 0.020 0.000 0.935 133 D CB 0.406 41.210 40.800 0.008 0.000 1.440 133 D HN -0.073 nan 8.370 nan 0.000 0.540 134 A N -0.871 121.963 122.820 0.024 0.000 2.076 134 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 134 A C 1.659 179.261 177.584 0.029 0.000 1.160 134 A CA 1.256 53.310 52.037 0.029 0.000 0.653 134 A CB -0.578 18.436 19.000 0.022 0.000 0.801 134 A HN 0.438 nan 8.150 nan 0.000 0.455 135 R N -1.448 119.067 120.500 0.024 0.000 2.541 135 R HA 0.186 4.525 4.340 -0.001 0.000 0.332 135 R C -0.847 175.472 176.300 0.031 0.000 0.951 135 R CA -0.221 55.891 56.100 0.020 0.000 1.136 135 R CB 0.471 30.764 30.300 -0.013 0.000 1.449 135 R HN 0.264 nan 8.270 nan 0.000 0.531 136 N N 1.234 119.962 118.700 0.046 0.000 2.354 136 N HA 0.310 5.049 4.740 -0.001 0.000 0.287 136 N C -1.220 174.352 175.510 0.104 0.000 1.016 136 N CA -0.196 52.857 53.050 0.006 0.000 0.871 136 N CB 1.796 40.260 38.487 -0.037 0.000 1.299 136 N HN -0.066 nan 8.380 nan 0.000 0.482 137 F N -1.125 118.740 119.950 -0.142 0.000 2.643 137 F HA 0.672 5.198 4.527 -0.001 0.000 0.314 137 F C -0.755 174.967 175.800 -0.129 0.000 1.096 137 F CA -0.787 57.132 58.000 -0.134 0.000 0.953 137 F CB 1.383 40.294 39.000 -0.148 0.000 1.345 137 F HN 0.001 nan 8.300 nan 0.000 0.468 138 T N 2.952 117.498 114.554 -0.014 0.000 2.841 138 T HA 0.564 4.913 4.350 -0.001 0.000 0.285 138 T C -0.745 173.932 174.700 -0.039 0.000 0.991 138 T CA -0.503 61.532 62.100 -0.109 0.000 0.966 138 T CB 1.374 70.194 68.868 -0.080 0.000 0.962 138 T HN 0.617 nan 8.240 nan 0.000 0.438 139 L N 3.908 125.108 121.223 -0.038 0.000 2.292 139 L HA 0.586 4.926 4.340 -0.001 0.000 0.284 139 L C -0.380 176.381 176.870 -0.182 0.000 1.065 139 L CA -0.740 54.035 54.840 -0.109 0.000 0.806 139 L CB 0.864 42.942 42.059 0.033 0.000 1.175 139 L HN 0.518 nan 8.230 nan 0.000 0.431 140 I N 3.227 123.574 120.570 -0.371 0.000 2.382 140 I HA 0.324 4.494 4.170 -0.001 0.000 0.286 140 I C -0.991 174.883 176.117 -0.404 0.000 1.002 140 I CA -0.293 60.867 61.300 -0.234 0.000 1.135 140 I CB 1.256 39.162 38.000 -0.157 0.000 1.288 140 I HN 0.305 nan 8.210 nan 0.000 0.448 141 F N 4.630 124.526 119.950 -0.090 0.000 2.402 141 F HA 0.529 5.056 4.527 -0.001 0.000 0.355 141 F C 0.215 175.950 175.800 -0.108 0.000 1.123 141 F CA -0.692 57.226 58.000 -0.137 0.000 1.021 141 F CB 1.302 40.226 39.000 -0.126 0.000 1.160 141 F HN 0.402 nan 8.300 nan 0.000 0.451 142 E N 5.640 125.847 120.200 0.011 0.000 2.334 142 E HA 0.302 4.651 4.350 -0.001 0.000 0.280 142 E C -2.935 173.656 176.600 -0.014 0.000 0.899 142 E CA -2.121 54.286 56.400 0.011 0.000 0.813 142 E CB 2.261 31.960 29.700 -0.001 0.000 1.318 142 E HN 0.243 nan 8.360 nan 0.000 0.399 143 P HA 0.206 nan 4.420 nan 0.000 0.274 143 P C -0.783 176.567 177.300 0.084 0.000 1.231 143 P CA -0.357 62.795 63.100 0.087 0.000 0.790 143 P CB 1.304 33.099 31.700 0.158 0.000 0.951 144 A N 3.142 126.060 122.820 0.163 0.000 2.354 144 A HA 0.423 4.742 4.320 -0.001 0.000 0.269 144 A C -0.457 177.358 177.584 0.384 0.000 1.109 144 A CA -0.449 51.699 52.037 0.185 0.000 0.800 144 A CB -0.026 19.086 19.000 0.185 0.000 1.045 144 A HN 0.562 nan 8.150 nan 0.000 0.489 145 Y N 0.140 120.352 120.300 -0.146 0.000 2.496 145 Y HA 0.241 4.791 4.550 -0.001 0.000 0.331 145 Y C 1.245 176.684 175.900 -0.768 0.000 1.140 145 Y CA -0.841 56.969 58.100 -0.484 0.000 1.166 145 Y CB 1.270 39.209 38.460 -0.869 0.000 1.249 145 Y HN 0.922 nan 8.280 nan 0.000 0.479 146 Y N -0.058 119.632 120.300 -1.016 0.000 2.384 146 Y HA -0.308 4.242 4.550 -0.001 0.000 0.289 146 Y C 1.179 176.605 175.900 -0.789 0.000 1.152 146 Y CA 1.076 58.475 58.100 -1.168 0.000 1.258 146 Y CB -0.737 37.170 38.460 -0.922 0.000 0.979 146 Y HN 0.544 nan 8.280 nan 0.000 0.549 147 Y N -1.420 117.984 120.300 -1.494 0.000 2.485 147 Y HA 0.386 4.935 4.550 -0.001 0.000 0.260 147 Y C 0.906 176.151 175.900 -1.091 0.000 1.173 147 Y CA -1.404 55.563 58.100 -1.889 0.000 1.252 147 Y CB -0.894 36.523 38.460 -1.738 0.000 1.123 147 Y HN 0.013 nan 8.280 nan 0.000 0.524 148 D N 1.171 121.265 120.400 -0.511 0.000 2.263 148 D HA -0.140 4.499 4.640 -0.001 0.000 0.208 148 D C 1.834 177.887 176.300 -0.411 0.000 0.971 148 D CA 2.053 55.751 54.000 -0.504 0.000 0.867 148 D CB -0.162 40.018 40.800 -1.034 0.000 0.929 148 D HN 0.609 nan 8.370 nan 0.000 0.492 149 T N -3.034 111.368 114.554 -0.253 0.000 3.107 149 T HA -0.001 4.348 4.350 -0.001 0.000 0.249 149 T C 0.988 175.779 174.700 0.150 0.000 1.096 149 T CA -0.312 61.771 62.100 -0.028 0.000 1.012 149 T CB -0.506 68.394 68.868 0.053 0.000 0.977 149 T HN 0.168 nan 8.240 nan 0.000 0.527 150 Y N 2.159 122.379 120.300 -0.134 0.000 2.496 150 Y HA 0.419 4.969 4.550 -0.001 0.000 0.334 150 Y C 1.618 177.357 175.900 -0.267 0.000 1.080 150 Y CA -1.183 56.768 58.100 -0.249 0.000 1.355 150 Y CB 0.432 38.655 38.460 -0.396 0.000 1.193 150 Y HN 0.263 nan 8.280 nan 0.000 0.523 151 G N 5.152 113.899 108.800 -0.088 0.000 2.616 151 G HA2 0.296 4.255 3.960 -0.001 0.000 0.268 151 G HA3 0.296 4.255 3.960 -0.001 0.000 0.268 151 G C -2.612 172.157 174.900 -0.218 0.000 1.213 151 G CA -1.273 43.808 45.100 -0.032 0.000 0.926 151 G HN 0.345 nan 8.290 nan 0.000 0.523 152 P HA 0.298 nan 4.420 nan 0.000 0.276 152 P C -0.732 176.609 177.300 0.068 0.000 1.244 152 P CA -0.292 62.846 63.100 0.063 0.000 0.801 152 P CB 1.535 33.304 31.700 0.114 0.000 1.006 153 I N 2.392 123.040 120.570 0.131 0.000 2.382 153 I HA 0.315 4.484 4.170 -0.001 0.000 0.285 153 I C 0.310 176.563 176.117 0.227 0.000 1.007 153 I CA -0.246 61.178 61.300 0.207 0.000 1.142 153 I CB 0.268 38.441 38.000 0.288 0.000 1.289 153 I HN 0.480 nan 8.210 nan 0.000 0.453 154 N N 4.352 123.132 118.700 0.134 0.000 2.609 154 N HA 0.297 5.036 4.740 -0.001 0.000 0.268 154 N C -0.670 174.743 175.510 -0.162 0.000 1.106 154 N CA -0.181 52.873 53.050 0.008 0.000 0.823 154 N CB 0.968 39.429 38.487 -0.043 0.000 1.263 154 N HN 0.583 nan 8.380 nan 0.000 0.533 155 T N 0.500 115.032 114.554 -0.037 0.000 3.466 155 T HA 0.324 4.673 4.350 -0.001 0.000 0.297 155 T C -0.741 173.742 174.700 -0.362 0.000 1.640 155 T CA -0.486 61.250 62.100 -0.608 0.000 1.631 155 T CB -0.637 68.299 68.868 0.113 0.000 0.928 155 T HN 0.470 nan 8.240 nan 0.000 0.688 156 Y N -1.167 118.726 120.300 -0.679 0.000 2.641 156 Y HA 0.831 5.380 4.550 -0.001 0.000 0.333 156 Y C -1.494 174.360 175.900 -0.077 0.000 1.174 156 Y CA -1.721 56.300 58.100 -0.133 0.000 1.057 156 Y CB 0.744 39.248 38.460 0.073 0.000 1.322 156 Y HN 0.483 nan 8.280 nan 0.000 0.457 157 A N 1.903 124.755 122.820 0.054 0.000 2.587 157 A HA 0.771 5.091 4.320 -0.001 0.000 0.293 157 A C -3.230 174.459 177.584 0.175 0.000 1.087 157 A CA -2.054 49.866 52.037 -0.195 0.000 0.692 157 A CB 1.790 20.155 19.000 -1.059 0.000 1.291 157 A HN 0.528 nan 8.150 nan 0.000 0.407 158 P HA 0.096 nan 4.420 nan 0.000 0.268 158 P C 0.154 177.102 177.300 -0.586 0.000 1.485 158 P CA 0.126 62.787 63.100 -0.731 0.000 1.102 158 P CB 0.790 31.591 31.700 -1.498 0.000 1.501 159 K N 4.134 124.309 120.400 -0.375 0.000 2.057 159 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 159 K C 1.909 178.225 176.600 -0.473 0.000 1.049 159 K CA 1.326 57.186 56.287 -0.713 0.000 0.931 159 K CB -0.321 32.002 32.500 -0.296 0.000 0.714 159 K HN 0.529 nan 8.250 nan 0.000 0.440 160 H N -0.111 118.767 119.070 -0.320 0.000 2.489 160 H HA -0.074 4.482 4.556 -0.001 0.000 0.293 160 H C 1.694 176.894 175.328 -0.213 0.000 1.066 160 H CA 0.932 56.852 56.048 -0.212 0.000 1.305 160 H CB 0.019 29.699 29.762 -0.137 0.000 1.386 160 H HN 0.184 nan 8.280 nan 0.000 0.551 161 I N 0.603 120.705 120.570 -0.781 0.000 2.556 161 I HA -0.016 4.154 4.170 -0.001 0.000 0.251 161 I C 2.362 178.271 176.117 -0.347 0.000 1.105 161 I CA 0.589 61.558 61.300 -0.551 0.000 1.436 161 I CB -0.381 37.205 38.000 -0.690 0.000 1.139 161 I HN 0.207 nan 8.210 nan 0.000 0.438 162 M N -0.028 119.240 119.600 -0.553 0.000 2.492 162 M HA 0.181 4.660 4.480 -0.001 0.000 0.255 162 M C 2.080 178.323 176.300 -0.096 0.000 1.139 162 M CA 0.561 55.573 55.300 -0.481 0.000 1.096 162 M CB -0.231 32.074 32.600 -0.491 0.000 1.360 162 M HN 0.171 nan 8.290 nan 0.000 0.480 163 G N 2.293 110.836 108.800 -0.428 0.000 2.446 163 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 163 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 163 G C -1.018 173.948 174.900 0.111 0.000 1.168 163 G CA 0.787 45.751 45.100 -0.227 0.000 0.771 163 G HN 0.310 nan 8.290 nan 0.000 0.551 164 P HA -0.091 nan 4.420 nan 0.000 0.215 164 P C 1.614 179.021 177.300 0.178 0.000 1.157 164 P CA 1.647 64.816 63.100 0.115 0.000 0.874 164 P CB 0.069 31.825 31.700 0.094 0.000 0.790 165 E N -1.012 119.371 120.200 0.305 0.000 2.106 165 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 165 E C 1.877 178.675 176.600 0.331 0.000 0.984 165 E CA 1.095 57.722 56.400 0.378 0.000 0.806 165 E CB -1.145 28.939 29.700 0.641 0.000 0.750 165 E HN 0.305 nan 8.360 nan 0.000 0.458 166 W N 1.142 122.545 121.300 0.171 0.000 2.338 166 W HA -0.198 4.461 4.660 -0.001 0.000 0.304 166 W C 1.260 177.724 176.519 -0.092 0.000 1.212 166 W CA 1.501 58.737 57.345 -0.182 0.000 1.264 166 W CB 0.083 29.570 29.460 0.045 0.000 1.142 166 W HN 0.091 nan 8.180 nan 0.000 0.512 167 E N 0.463 120.609 120.200 -0.090 0.000 2.110 167 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 167 E C 2.082 178.543 176.600 -0.232 0.000 0.988 167 E CA 1.356 57.635 56.400 -0.203 0.000 0.804 167 E CB -0.547 29.133 29.700 -0.033 0.000 0.745 167 E HN 0.472 nan 8.360 nan 0.000 0.458 168 R N 0.268 120.690 120.500 -0.129 0.000 2.092 168 R HA -0.044 4.295 4.340 -0.001 0.000 0.231 168 R C 2.505 178.692 176.300 -0.188 0.000 1.119 168 R CA 0.947 56.981 56.100 -0.110 0.000 0.970 168 R CB -0.304 29.982 30.300 -0.023 0.000 0.864 168 R HN 0.019 nan 8.270 nan 0.000 0.440 169 V N 1.624 121.380 119.914 -0.263 0.000 2.343 169 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 169 V C 2.167 177.970 176.094 -0.484 0.000 1.051 169 V CA 1.713 63.811 62.300 -0.337 0.000 1.036 169 V CB -0.392 31.205 31.823 -0.377 0.000 0.654 169 V HN 0.300 nan 8.190 nan 0.000 0.451 170 K N 0.212 120.160 120.400 -0.752 0.000 2.063 170 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 170 K C 2.325 178.723 176.600 -0.336 0.000 1.048 170 K CA 1.521 57.422 56.287 -0.642 0.000 0.928 170 K CB -0.442 31.613 32.500 -0.742 0.000 0.713 170 K HN 0.478 nan 8.250 nan 0.000 0.442 171 A N 1.508 124.164 122.820 -0.272 0.000 1.902 171 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 171 A C 2.357 179.851 177.584 -0.150 0.000 1.181 171 A CA 1.939 53.874 52.037 -0.169 0.000 0.623 171 A CB -0.620 18.302 19.000 -0.130 0.000 0.818 171 A HN 0.353 nan 8.150 nan 0.000 0.443 172 A N -0.372 122.347 122.820 -0.169 0.000 1.969 172 A HA 0.259 4.578 4.320 -0.001 0.000 0.218 172 A C 2.414 179.900 177.584 -0.163 0.000 1.169 172 A CA 1.708 53.657 52.037 -0.146 0.000 0.635 172 A CB -0.827 18.087 19.000 -0.143 0.000 0.810 172 A HN 1.041 nan 8.150 nan 0.000 0.445 173 A N -0.125 122.569 122.820 -0.210 0.000 2.067 173 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 173 A C 2.120 179.629 177.584 -0.124 0.000 1.158 173 A CA 1.185 53.099 52.037 -0.205 0.000 0.661 173 A CB -0.439 18.431 19.000 -0.217 0.000 0.801 173 A HN 0.544 nan 8.150 nan 0.000 0.452 174 R N -0.779 119.655 120.500 -0.110 0.000 2.193 174 R HA -0.104 4.235 4.340 -0.001 0.000 0.229 174 R C 1.824 178.088 176.300 -0.060 0.000 1.110 174 R CA 0.938 56.995 56.100 -0.072 0.000 0.988 174 R CB -0.331 29.927 30.300 -0.070 0.000 0.871 174 R HN 0.493 nan 8.270 nan 0.000 0.458 175 G N 0.173 108.931 108.800 -0.070 0.000 3.233 175 G HA2 0.175 4.134 3.960 -0.001 0.000 0.227 175 G HA3 0.175 4.134 3.960 -0.001 0.000 0.227 175 G C 0.160 175.027 174.900 -0.055 0.000 1.175 175 G CA -0.193 44.873 45.100 -0.056 0.000 0.781 175 G HN 0.005 nan 8.290 nan 0.000 0.542 176 L N 0.435 121.621 121.223 -0.062 0.000 2.365 176 L HA 0.394 4.733 4.340 -0.001 0.000 0.273 176 L C -1.319 175.530 176.870 -0.034 0.000 1.000 176 L CA -1.126 53.681 54.840 -0.056 0.000 0.819 176 L CB 2.472 44.478 42.059 -0.088 0.000 1.284 176 L HN -0.071 nan 8.230 nan 0.000 0.418 177 D N 3.809 124.197 120.400 -0.020 0.000 2.313 177 D HA 0.280 4.919 4.640 -0.001 0.000 0.239 177 D C -1.852 174.450 176.300 0.003 0.000 1.142 177 D CA -1.924 52.072 54.000 -0.006 0.000 0.847 177 D CB 1.888 42.685 40.800 -0.004 0.000 1.082 177 D HN 0.137 nan 8.370 nan 0.000 0.480 178 P HA -0.124 nan 4.420 nan 0.000 0.220 178 P C 0.114 177.426 177.300 0.021 0.000 1.144 178 P CA 0.972 64.092 63.100 0.033 0.000 0.800 178 P CB 0.346 32.075 31.700 0.049 0.000 0.772 179 D N -1.074 119.333 120.400 0.011 0.000 2.255 179 D HA -0.036 4.604 4.640 -0.001 0.000 0.224 179 D C 1.843 178.144 176.300 0.001 0.000 0.997 179 D CA 1.037 55.039 54.000 0.004 0.000 0.906 179 D CB -0.549 40.254 40.800 0.005 0.000 1.047 179 D HN -0.011 nan 8.370 nan 0.000 0.458 180 K N 0.753 121.154 120.400 0.002 0.000 2.217 180 K HA -0.014 4.305 4.320 -0.001 0.000 0.202 180 K C 0.236 176.838 176.600 0.004 0.000 1.051 180 K CA 0.788 57.076 56.287 0.002 0.000 0.952 180 K CB -0.005 32.495 32.500 -0.000 0.000 0.736 180 K HN 0.208 nan 8.250 nan 0.000 0.453 181 D N 0.192 120.595 120.400 0.004 0.000 2.643 181 D HA 0.179 4.818 4.640 -0.001 0.000 0.244 181 D C 1.107 177.419 176.300 0.019 0.000 1.257 181 D CA -0.012 53.990 54.000 0.003 0.000 0.831 181 D CB 0.593 41.384 40.800 -0.015 0.000 1.043 181 D HN -0.049 nan 8.370 nan 0.000 0.488 182 A N 1.032 123.875 122.820 0.038 0.000 1.892 182 A HA -0.270 4.049 4.320 -0.001 0.000 0.218 182 A C 2.054 179.732 177.584 0.157 0.000 1.188 182 A CA 1.508 53.596 52.037 0.083 0.000 0.631 182 A CB -0.251 18.775 19.000 0.044 0.000 0.822 182 A HN 0.196 nan 8.150 nan 0.000 0.447 183 E N -0.440 119.845 120.200 0.142 0.000 2.058 183 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 183 E C 2.072 178.706 176.600 0.057 0.000 0.997 183 E CA 1.648 58.128 56.400 0.134 0.000 0.801 183 E CB -0.133 29.620 29.700 0.088 0.000 0.746 183 E HN 0.430 nan 8.360 nan 0.000 0.450 184 K N 0.436 120.848 120.400 0.020 0.000 2.097 184 K HA -0.099 4.220 4.320 -0.001 0.000 0.205 184 K C 1.904 178.466 176.600 -0.064 0.000 1.050 184 K CA 0.537 56.811 56.287 -0.023 0.000 0.938 184 K CB -0.390 32.090 32.500 -0.033 0.000 0.718 184 K HN 0.029 nan 8.250 nan 0.000 0.442 185 L N 1.640 122.825 121.223 -0.063 0.000 2.056 185 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 185 L C 1.849 178.638 176.870 -0.134 0.000 1.078 185 L CA 1.731 56.471 54.840 -0.167 0.000 0.749 185 L CB -0.720 41.288 42.059 -0.086 0.000 0.901 185 L HN 0.346 nan 8.230 nan 0.000 0.433 186 N N -0.336 118.397 118.700 0.056 0.000 2.120 186 N HA -0.283 4.456 4.740 -0.001 0.000 0.188 186 N C 1.911 177.465 175.510 0.072 0.000 1.024 186 N CA 1.622 54.753 53.050 0.135 0.000 0.852 186 N CB -0.035 38.530 38.487 0.131 0.000 1.003 186 N HN 0.622 nan 8.380 nan 0.000 0.424 187 E N 0.331 120.537 120.200 0.011 0.000 2.077 187 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 187 E C 2.254 178.860 176.600 0.010 0.000 0.989 187 E CA 0.694 57.099 56.400 0.009 0.000 0.800 187 E CB -0.103 29.590 29.700 -0.012 0.000 0.746 187 E HN 0.281 nan 8.360 nan 0.000 0.452 188 L N 0.205 121.382 121.223 -0.076 0.000 2.012 188 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 188 L C 2.044 178.913 176.870 -0.001 0.000 1.073 188 L CA 1.747 56.513 54.840 -0.124 0.000 0.748 188 L CB -0.596 41.265 42.059 -0.330 0.000 0.891 188 L HN 0.219 nan 8.230 nan 0.000 0.431 189 Y N -0.091 120.260 120.300 0.085 0.000 2.263 189 Y HA -0.093 4.456 4.550 -0.001 0.000 0.292 189 Y C 2.709 178.724 175.900 0.190 0.000 1.130 189 Y CA 1.097 59.270 58.100 0.123 0.000 1.179 189 Y CB -0.655 37.901 38.460 0.161 0.000 0.998 189 Y HN 0.169 nan 8.280 nan 0.000 0.532 190 R N -0.001 120.709 120.500 0.350 0.000 2.081 190 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 190 R C 1.818 178.269 176.300 0.251 0.000 1.131 190 R CA 1.442 57.735 56.100 0.321 0.000 0.960 190 R CB -0.367 30.041 30.300 0.179 0.000 0.856 190 R HN 0.315 nan 8.270 nan 0.000 0.436 191 N N 0.539 119.344 118.700 0.175 0.000 2.223 191 N HA -0.175 4.565 4.740 -0.001 0.000 0.185 191 N C 1.426 177.034 175.510 0.163 0.000 1.016 191 N CA 0.954 54.082 53.050 0.130 0.000 0.863 191 N CB -0.331 38.206 38.487 0.084 0.000 0.983 191 N HN 0.136 nan 8.380 nan 0.000 0.429 192 F N 1.169 121.140 119.950 0.034 0.000 2.075 192 F HA -0.138 4.389 4.527 -0.001 0.000 0.297 192 F C 1.785 177.635 175.800 0.083 0.000 1.113 192 F CA 1.285 59.296 58.000 0.018 0.000 1.218 192 F CB -0.700 38.239 39.000 -0.102 0.000 0.984 192 F HN -0.144 nan 8.300 nan 0.000 0.472 193 F N 0.613 120.530 119.950 -0.055 0.000 2.171 193 F HA -0.135 4.391 4.527 -0.001 0.000 0.300 193 F C 2.335 178.125 175.800 -0.016 0.000 1.090 193 F CA 1.198 59.089 58.000 -0.182 0.000 1.293 193 F CB -1.286 37.636 39.000 -0.131 0.000 1.013 193 F HN -0.021 nan 8.300 nan 0.000 0.486 194 L N -0.114 121.218 121.223 0.181 0.000 2.127 194 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 194 L C 2.254 179.136 176.870 0.021 0.000 1.089 194 L CA 1.332 56.236 54.840 0.107 0.000 0.757 194 L CB -0.653 41.455 42.059 0.081 0.000 0.899 194 L HN 0.115 nan 8.230 nan 0.000 0.434 195 K N -0.417 119.941 120.400 -0.070 0.000 2.280 195 K HA -0.112 4.207 4.320 -0.001 0.000 0.202 195 K C 0.835 177.136 176.600 -0.498 0.000 1.047 195 K CA 1.175 57.271 56.287 -0.317 0.000 0.942 195 K CB 0.040 32.249 32.500 -0.484 0.000 0.739 195 K HN 0.233 nan 8.250 nan 0.000 0.457 196 F N -1.487 118.445 119.950 -0.029 0.000 2.735 196 F HA 0.286 4.812 4.527 -0.001 0.000 0.308 196 F C 0.823 176.672 175.800 0.081 0.000 1.112 196 F CA -0.418 57.585 58.000 0.005 0.000 1.235 196 F CB 1.173 40.141 39.000 -0.053 0.000 1.027 196 F HN -0.143 nan 8.300 nan 0.000 0.528 197 A N -0.521 122.434 122.820 0.225 0.000 2.653 197 A HA 0.256 4.575 4.320 -0.001 0.000 0.248 197 A C 0.726 178.476 177.584 0.278 0.000 1.211 197 A CA 0.152 52.344 52.037 0.258 0.000 0.991 197 A CB -0.476 18.655 19.000 0.218 0.000 1.252 197 A HN 0.125 nan 8.150 nan 0.000 0.593 198 T N -3.231 111.424 114.554 0.168 0.000 2.927 198 T HA 0.504 4.853 4.350 -0.001 0.000 0.281 198 T C -1.859 172.858 174.700 0.028 0.000 0.998 198 T CA -1.555 60.581 62.100 0.060 0.000 1.019 198 T CB 1.475 70.324 68.868 -0.031 0.000 1.061 198 T HN -0.122 nan 8.240 nan 0.000 0.518 199 P HA -0.201 nan 4.420 nan 0.000 0.214 199 P C 1.756 179.016 177.300 -0.067 0.000 1.163 199 P CA 1.580 64.479 63.100 -0.334 0.000 0.889 199 P CB -0.044 31.152 31.700 -0.840 0.000 0.790 200 Q N -0.075 119.666 119.800 -0.099 0.000 2.084 200 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 200 Q C 2.046 178.051 176.000 0.009 0.000 0.978 200 Q CA 2.207 57.986 55.803 -0.039 0.000 0.844 200 Q CB -1.738 26.965 28.738 -0.058 0.000 0.898 200 Q HN 0.124 nan 8.270 nan 0.000 0.426 201 A N 1.129 123.956 122.820 0.012 0.000 1.877 201 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 201 A C 2.228 179.870 177.584 0.095 0.000 1.186 201 A CA 1.464 53.515 52.037 0.022 0.000 0.620 201 A CB -0.818 18.175 19.000 -0.011 0.000 0.822 201 A HN 0.399 nan 8.150 nan 0.000 0.443 202 L N -0.263 121.064 121.223 0.172 0.000 2.093 202 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 202 L C 2.084 179.091 176.870 0.228 0.000 1.085 202 L CA 1.087 56.084 54.840 0.262 0.000 0.755 202 L CB -0.610 41.683 42.059 0.390 0.000 0.904 202 L HN 0.346 nan 8.230 nan 0.000 0.435 203 N N 0.458 119.267 118.700 0.181 0.000 2.381 203 N HA -0.122 4.617 4.740 -0.001 0.000 0.182 203 N C 1.561 177.139 175.510 0.113 0.000 1.025 203 N CA 0.986 54.124 53.050 0.146 0.000 0.888 203 N CB -0.126 38.426 38.487 0.109 0.000 0.965 203 N HN 0.300 nan 8.380 nan 0.000 0.438 204 R N -0.334 120.223 120.500 0.095 0.000 2.334 204 R HA 0.187 4.526 4.340 -0.001 0.000 0.220 204 R C 0.659 177.012 176.300 0.089 0.000 0.917 204 R CA 0.321 56.465 56.100 0.073 0.000 1.073 204 R CB 0.203 30.528 30.300 0.042 0.000 1.056 204 R HN 0.134 nan 8.270 nan 0.000 0.506 205 G N 0.246 109.124 108.800 0.130 0.000 2.149 205 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.235 205 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.235 205 G C 0.803 175.783 174.900 0.132 0.000 1.018 205 G CA 0.144 45.332 45.100 0.147 0.000 0.728 205 G HN 0.401 nan 8.290 nan 0.000 0.508 206 A N -1.230 121.673 122.820 0.139 0.000 2.019 206 A HA 0.441 4.761 4.320 -0.001 0.000 0.219 206 A C 1.518 179.228 177.584 0.211 0.000 1.164 206 A CA 1.759 53.885 52.037 0.149 0.000 0.644 206 A CB -0.075 18.988 19.000 0.105 0.000 0.805 206 A HN 0.512 nan 8.150 nan 0.000 0.449 207 M N -1.057 118.626 119.600 0.139 0.000 2.761 207 M HA 0.507 4.986 4.480 -0.001 0.000 0.305 207 M C -0.437 175.677 176.300 -0.311 0.000 1.235 207 M CA -0.833 54.428 55.300 -0.066 0.000 0.850 207 M CB 1.760 34.332 32.600 -0.046 0.000 1.744 207 M HN 0.236 nan 8.290 nan 0.000 0.480 208 V N -0.886 118.713 119.914 -0.526 0.000 3.046 208 V HA 0.735 4.854 4.120 -0.001 0.000 0.316 208 V C -1.782 173.904 176.094 -0.680 0.000 1.104 208 V CA -0.731 61.303 62.300 -0.443 0.000 1.006 208 V CB 2.063 33.808 31.823 -0.130 0.000 1.058 208 V HN 0.758 nan 8.190 nan 0.000 0.440 209 Y N 0.453 120.902 120.300 0.248 0.000 2.499 209 Y HA 0.651 5.200 4.550 -0.001 0.000 0.347 209 Y C 1.081 177.106 175.900 0.208 0.000 0.987 209 Y CA -0.191 57.907 58.100 -0.004 0.000 1.044 209 Y CB 2.568 40.894 38.460 -0.224 0.000 1.245 209 Y HN 0.773 nan 8.280 nan 0.000 0.461 210 S N -0.844 114.963 115.700 0.177 0.000 2.523 210 S HA 0.346 4.815 4.470 -0.001 0.000 0.217 210 S C 0.739 175.424 174.600 0.142 0.000 0.996 210 S CA 0.085 58.353 58.200 0.113 0.000 0.921 210 S CB -0.000 63.201 63.200 0.002 0.000 0.829 210 S HN 0.832 nan 8.310 nan 0.000 0.495 211 G N 2.353 111.159 108.800 0.009 0.000 2.543 211 G HA2 0.476 4.435 3.960 -0.001 0.000 0.290 211 G HA3 0.476 4.435 3.960 -0.001 0.000 0.290 211 G C -1.634 172.986 174.900 -0.467 0.000 1.310 211 G CA -1.528 43.471 45.100 -0.168 0.000 1.025 211 G HN 0.138 nan 8.290 nan 0.000 0.502 212 P HA 0.029 nan 4.420 nan 0.000 0.230 212 P C -0.394 176.420 177.300 -0.810 0.000 1.158 212 P CA 0.910 63.423 63.100 -0.978 0.000 0.769 212 P CB 0.096 31.295 31.700 -0.835 0.000 0.807 213 F N 0.404 120.281 119.950 -0.122 0.000 2.603 213 F HA 0.458 4.984 4.527 -0.001 0.000 0.317 213 F C 0.713 176.439 175.800 -0.123 0.000 1.066 213 F CA -1.036 56.930 58.000 -0.056 0.000 0.941 213 F CB 1.981 40.981 39.000 0.000 0.000 1.291 213 F HN -0.356 nan 8.300 nan 0.000 0.472 214 K N 0.787 121.200 120.400 0.021 0.000 2.395 214 K HA 0.747 5.066 4.320 -0.001 0.000 0.247 214 K C -1.587 174.781 176.600 -0.386 0.000 0.973 214 K CA -1.095 55.036 56.287 -0.260 0.000 0.828 214 K CB 2.431 34.946 32.500 0.024 0.000 1.272 214 K HN 0.527 nan 8.250 nan 0.000 0.439 215 L N 1.896 122.606 121.223 -0.855 0.000 2.453 215 L HA 0.127 4.466 4.340 -0.001 0.000 0.272 215 L C 0.874 177.680 176.870 -0.106 0.000 1.182 215 L CA 0.504 55.093 54.840 -0.419 0.000 0.858 215 L CB 0.926 42.755 42.059 -0.383 0.000 1.120 215 L HN 0.934 nan 8.230 nan 0.000 0.474 216 K N 3.919 124.304 120.400 -0.026 0.000 2.216 216 K HA 0.299 4.618 4.320 -0.001 0.000 0.207 216 K C -0.395 176.251 176.600 0.076 0.000 1.041 216 K CA 0.848 57.159 56.287 0.039 0.000 0.966 216 K CB 0.326 32.850 32.500 0.040 0.000 0.955 216 K HN 0.759 nan 8.250 nan 0.000 0.468 217 R N -1.475 119.079 120.500 0.090 0.000 2.634 217 R HA 0.277 4.616 4.340 -0.001 0.000 0.263 217 R C -1.829 174.613 176.300 0.236 0.000 1.060 217 R CA -0.840 55.352 56.100 0.153 0.000 0.898 217 R CB 0.216 30.591 30.300 0.124 0.000 1.253 217 R HN 0.076 nan 8.270 nan 0.000 0.461 218 W N 3.580 124.917 121.300 0.061 0.000 2.411 218 W HA 0.494 5.153 4.660 -0.001 0.000 0.317 218 W C -1.480 175.082 176.519 0.072 0.000 1.030 218 W CA -1.447 55.946 57.345 0.079 0.000 1.239 218 W CB 1.646 31.154 29.460 0.079 0.000 1.304 218 W HN 0.389 nan 8.180 nan 0.000 0.437 219 V N 9.949 130.133 119.914 0.450 0.000 2.270 219 V HA 0.191 4.311 4.120 -0.001 0.000 0.263 219 V C -1.576 174.649 176.094 0.218 0.000 1.066 219 V CA -1.744 60.682 62.300 0.209 0.000 0.857 219 V CB 0.336 32.266 31.823 0.178 0.000 1.099 219 V HN 0.347 nan 8.190 nan 0.000 0.476 220 P HA 0.090 nan 4.420 nan 0.000 0.262 220 P C 0.997 178.308 177.300 0.019 0.000 1.182 220 P CA 1.428 64.412 63.100 -0.193 0.000 0.761 220 P CB 1.000 32.382 31.700 -0.530 0.000 0.795 221 G N 2.931 111.804 108.800 0.122 0.000 2.195 221 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.246 221 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.246 221 G C 0.875 175.901 174.900 0.210 0.000 0.984 221 G CA 0.413 45.579 45.100 0.111 0.000 0.633 221 G HN 0.653 nan 8.290 nan 0.000 0.525 222 N N -0.293 118.593 118.700 0.310 0.000 2.663 222 N HA 0.181 4.921 4.740 -0.001 0.000 0.250 222 N C 0.599 176.327 175.510 0.364 0.000 1.043 222 N CA 1.788 55.011 53.050 0.289 0.000 0.929 222 N CB 0.841 39.427 38.487 0.165 0.000 1.665 222 N HN 1.089 nan 8.380 nan 0.000 0.484 223 S N -0.378 115.583 115.700 0.436 0.000 2.595 223 S HA 0.556 5.026 4.470 -0.001 0.000 0.270 223 S C -1.347 173.477 174.600 0.372 0.000 1.145 223 S CA -0.819 57.534 58.200 0.256 0.000 0.825 223 S CB 1.456 64.693 63.200 0.062 0.000 1.107 223 S HN 0.087 nan 8.310 nan 0.000 0.461 224 I N 1.206 121.872 120.570 0.160 0.000 2.439 224 I HA 0.397 4.566 4.170 -0.001 0.000 0.285 224 I C -0.750 175.361 176.117 -0.009 0.000 1.021 224 I CA -0.347 60.985 61.300 0.054 0.000 1.091 224 I CB 1.893 39.818 38.000 -0.125 0.000 1.242 224 I HN 0.695 nan 8.210 nan 0.000 0.439 225 E N 7.650 127.856 120.200 0.010 0.000 2.166 225 E HA 0.645 4.995 4.350 -0.001 0.000 0.275 225 E C -1.024 175.550 176.600 -0.042 0.000 0.941 225 E CA -0.670 55.718 56.400 -0.020 0.000 0.784 225 E CB 2.354 32.064 29.700 0.016 0.000 1.115 225 E HN 0.449 nan 8.360 nan 0.000 0.399 226 M N 1.969 121.525 119.600 -0.073 0.000 2.591 226 M HA 0.352 4.832 4.480 -0.001 0.000 0.306 226 M C -0.559 175.775 176.300 0.057 0.000 1.190 226 M CA -0.775 54.496 55.300 -0.049 0.000 0.889 226 M CB 2.386 34.920 32.600 -0.109 0.000 1.728 226 M HN 0.481 nan 8.290 nan 0.000 0.458 227 E N 0.467 120.764 120.200 0.162 0.000 2.369 227 E HA 0.656 5.005 4.350 -0.001 0.000 0.270 227 E C -1.104 175.699 176.600 0.337 0.000 0.909 227 E CA -1.232 55.315 56.400 0.246 0.000 0.775 227 E CB 1.793 31.573 29.700 0.133 0.000 1.270 227 E HN 0.469 nan 8.360 nan 0.000 0.445 228 R N 1.108 121.763 120.500 0.258 0.000 2.583 228 R HA -0.002 4.337 4.340 -0.001 0.000 0.274 228 R C -0.559 175.710 176.300 -0.052 0.000 0.998 228 R CA 0.227 56.287 56.100 -0.067 0.000 1.081 228 R CB 0.116 30.394 30.300 -0.038 0.000 0.940 228 R HN 0.554 nan 8.270 nan 0.000 0.413 229 N N 5.887 124.499 118.700 -0.147 0.000 2.527 229 N HA 0.209 4.948 4.740 -0.001 0.000 0.236 229 N C -1.990 173.531 175.510 0.018 0.000 0.999 229 N CA -2.272 50.770 53.050 -0.012 0.000 0.935 229 N CB 1.223 39.717 38.487 0.012 0.000 1.132 229 N HN 0.389 nan 8.380 nan 0.000 0.511 230 P HA -0.076 nan 4.420 nan 0.000 0.225 230 P C 0.160 177.493 177.300 0.054 0.000 1.148 230 P CA 0.840 63.968 63.100 0.046 0.000 0.779 230 P CB 0.498 32.226 31.700 0.047 0.000 0.780 231 N N -0.712 118.034 118.700 0.077 0.000 2.463 231 N HA -0.026 4.713 4.740 -0.001 0.000 0.181 231 N C 0.336 175.876 175.510 0.049 0.000 1.078 231 N CA 0.026 53.113 53.050 0.062 0.000 0.902 231 N CB -0.409 38.133 38.487 0.092 0.000 0.970 231 N HN 0.184 nan 8.380 nan 0.000 0.451 232 F N 4.485 124.387 119.950 -0.080 0.000 2.541 232 F HA 0.137 4.663 4.527 -0.001 0.000 0.378 232 F C -1.204 174.506 175.800 -0.151 0.000 1.068 232 F CA -2.100 55.822 58.000 -0.129 0.000 1.199 232 F CB 0.987 39.900 39.000 -0.146 0.000 1.091 232 F HN -0.027 nan 8.300 nan 0.000 0.555 233 P HA -0.076 nan 4.420 nan 0.000 0.225 233 P C 0.262 177.185 177.300 -0.628 0.000 1.156 233 P CA 0.873 63.632 63.100 -0.568 0.000 0.787 233 P CB 0.180 31.601 31.700 -0.465 0.000 0.802 234 I N 1.835 121.755 120.570 -1.084 0.000 2.363 234 I HA 0.139 4.308 4.170 -0.001 0.000 0.292 234 I C 0.715 176.619 176.117 -0.354 0.000 1.075 234 I CA -0.426 60.428 61.300 -0.744 0.000 1.333 234 I CB -0.133 37.196 38.000 -1.119 0.000 1.415 234 I HN -0.135 nan 8.210 nan 0.000 0.502 235 K N 8.334 128.626 120.400 -0.180 0.000 2.183 235 K HA 0.487 4.806 4.320 -0.001 0.000 0.274 235 K C -2.183 174.422 176.600 0.008 0.000 1.009 235 K CA -1.725 54.536 56.287 -0.044 0.000 0.888 235 K CB 1.248 33.729 32.500 -0.032 0.000 1.078 235 K HN 0.350 nan 8.250 nan 0.000 0.459 236 P HA 0.061 nan 4.420 nan 0.000 0.274 236 P C -0.357 176.934 177.300 -0.015 0.000 1.237 236 P CA -0.388 62.638 63.100 -0.123 0.000 0.793 236 P CB 0.701 31.902 31.700 -0.832 0.000 0.977 237 E N 0.193 120.433 120.200 0.065 0.000 2.480 237 E HA 0.198 4.547 4.350 -0.001 0.000 0.258 237 E C 1.016 177.763 176.600 0.245 0.000 0.984 237 E CA 0.859 57.343 56.400 0.139 0.000 0.930 237 E CB -0.751 29.025 29.700 0.126 0.000 0.936 237 E HN 0.778 nan 8.360 nan 0.000 0.466 238 G N 2.672 111.576 108.800 0.174 0.000 2.213 238 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.236 238 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.236 238 G C 0.509 175.521 174.900 0.187 0.000 0.991 238 G CA -0.206 44.999 45.100 0.174 0.000 0.629 238 G HN 1.556 nan 8.290 nan 0.000 0.517 239 G N -0.211 108.714 108.800 0.209 0.000 2.784 239 G HA2 0.390 4.349 3.960 -0.001 0.000 0.686 239 G HA3 0.390 4.349 3.960 -0.001 0.000 0.686 239 G C 0.486 175.553 174.900 0.278 0.000 1.156 239 G CA 0.578 45.785 45.100 0.177 0.000 0.757 239 G HN 1.359 nan 8.290 nan 0.000 0.642 240 E N 0.815 121.130 120.200 0.191 0.000 2.265 240 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 240 E C 2.242 179.013 176.600 0.286 0.000 0.996 240 E CA 2.004 58.541 56.400 0.228 0.000 0.832 240 E CB -0.573 29.197 29.700 0.116 0.000 0.756 240 E HN 1.247 nan 8.360 nan 0.000 0.491 241 S N 1.024 116.847 115.700 0.206 0.000 2.442 241 S HA -0.079 4.390 4.470 -0.001 0.000 0.236 241 S C 1.714 176.403 174.600 0.148 0.000 1.007 241 S CA 0.812 59.105 58.200 0.156 0.000 0.965 241 S CB -0.237 63.026 63.200 0.105 0.000 0.773 241 S HN 0.261 nan 8.310 nan 0.000 0.504 242 K N -0.114 120.385 120.400 0.165 0.000 2.444 242 K HA 0.214 4.534 4.320 -0.001 0.000 0.193 242 K C -0.523 175.913 176.600 -0.274 0.000 1.024 242 K CA 0.167 56.421 56.287 -0.055 0.000 1.077 242 K CB 0.072 32.478 32.500 -0.156 0.000 0.833 242 K HN 0.489 nan 8.250 nan 0.000 0.517 243 Y N -0.057 120.310 120.300 0.113 0.000 2.602 243 Y HA 0.206 4.756 4.550 -0.001 0.000 0.330 243 Y C 0.431 176.430 175.900 0.165 0.000 1.114 243 Y CA -1.757 56.413 58.100 0.117 0.000 1.182 243 Y CB 0.772 39.296 38.460 0.105 0.000 1.305 243 Y HN -0.275 nan 8.280 nan 0.000 0.502 244 V N 0.178 120.284 119.914 0.321 0.000 2.694 244 V HA 0.031 4.150 4.120 -0.001 0.000 0.306 244 V C 0.211 176.547 176.094 0.402 0.000 1.054 244 V CA -0.350 62.140 62.300 0.315 0.000 1.161 244 V CB 0.898 32.852 31.823 0.219 0.000 0.916 244 V HN 0.833 nan 8.190 nan 0.000 0.490 245 Q N 2.379 122.370 119.800 0.318 0.000 2.352 245 Q HA 0.338 4.677 4.340 -0.001 0.000 0.212 245 Q C 0.044 176.241 176.000 0.330 0.000 0.888 245 Q CA 0.638 56.626 55.803 0.307 0.000 0.934 245 Q CB 0.709 29.561 28.738 0.190 0.000 1.093 245 Q HN 0.864 nan 8.270 nan 0.000 0.523 246 K N 0.243 120.786 120.400 0.238 0.000 2.501 246 K HA 0.583 4.903 4.320 -0.001 0.000 0.252 246 K C -1.317 175.243 176.600 -0.067 0.000 0.934 246 K CA -0.515 55.835 56.287 0.105 0.000 0.797 246 K CB 3.061 35.602 32.500 0.068 0.000 1.270 246 K HN -0.264 nan 8.250 nan 0.000 0.431 247 V N 2.589 122.359 119.914 -0.240 0.000 2.577 247 V HA 0.416 4.535 4.120 -0.001 0.000 0.303 247 V C -0.877 175.049 176.094 -0.281 0.000 1.042 247 V CA -0.883 61.179 62.300 -0.396 0.000 0.872 247 V CB 1.931 33.280 31.823 -0.790 0.000 0.998 247 V HN 0.473 nan 8.190 nan 0.000 0.423 248 V N 5.016 124.776 119.914 -0.256 0.000 2.483 248 V HA 0.455 4.574 4.120 -0.001 0.000 0.297 248 V C -1.149 174.773 176.094 -0.287 0.000 1.027 248 V CA -0.794 61.389 62.300 -0.194 0.000 0.855 248 V CB 1.842 33.583 31.823 -0.136 0.000 0.995 248 V HN 0.754 nan 8.190 nan 0.000 0.424 249 Y N 4.159 124.223 120.300 -0.393 0.000 2.327 249 Y HA 0.533 5.082 4.550 -0.001 0.000 0.336 249 Y C 0.813 176.252 175.900 -0.768 0.000 1.035 249 Y CA -0.193 57.568 58.100 -0.566 0.000 1.165 249 Y CB 1.214 39.311 38.460 -0.604 0.000 1.181 249 Y HN 0.458 nan 8.280 nan 0.000 0.494 250 R N 3.962 124.115 120.500 -0.579 0.000 2.338 250 R HA 0.410 4.749 4.340 -0.001 0.000 0.317 250 R C -1.721 174.267 176.300 -0.521 0.000 0.968 250 R CA -0.766 55.057 56.100 -0.462 0.000 0.849 250 R CB 1.070 31.234 30.300 -0.226 0.000 1.128 250 R HN 0.447 nan 8.270 nan 0.000 0.448 251 F N 4.000 123.995 119.950 0.074 0.000 2.411 251 F HA 0.466 4.992 4.527 -0.001 0.000 0.352 251 F C 0.323 176.152 175.800 0.048 0.000 1.123 251 F CA -0.710 57.335 58.000 0.075 0.000 1.044 251 F CB 1.023 40.081 39.000 0.097 0.000 1.135 251 F HN 0.223 nan 8.300 nan 0.000 0.461 252 I N 3.445 124.132 120.570 0.194 0.000 2.493 252 I HA 0.163 4.332 4.170 -0.001 0.000 0.279 252 I C 0.882 177.061 176.117 0.102 0.000 1.045 252 I CA -0.342 61.023 61.300 0.109 0.000 1.106 252 I CB 1.836 39.865 38.000 0.048 0.000 1.216 252 I HN 0.699 nan 8.210 nan 0.000 0.459 253 Q N 4.165 124.017 119.800 0.088 0.000 2.084 253 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 253 Q C 0.997 177.018 176.000 0.034 0.000 0.978 253 Q CA 1.283 57.121 55.803 0.058 0.000 0.844 253 Q CB 0.227 28.982 28.738 0.028 0.000 0.898 253 Q HN 0.623 nan 8.270 nan 0.000 0.426 254 N N 0.551 119.264 118.700 0.022 0.000 2.411 254 N HA -0.040 4.699 4.740 -0.001 0.000 0.259 254 N C 0.625 176.142 175.510 0.011 0.000 1.103 254 N CA 0.644 53.699 53.050 0.008 0.000 0.954 254 N CB 1.386 39.871 38.487 -0.003 0.000 1.085 254 N HN 0.243 nan 8.380 nan 0.000 0.485 255 T N 0.786 115.348 114.554 0.014 0.000 2.881 255 T HA -0.159 4.190 4.350 -0.001 0.000 0.270 255 T C 1.545 176.242 174.700 -0.005 0.000 1.068 255 T CA 0.942 63.050 62.100 0.014 0.000 1.131 255 T CB -0.100 68.784 68.868 0.027 0.000 0.871 255 T HN 0.598 nan 8.240 nan 0.000 0.479 256 N N 0.973 119.664 118.700 -0.014 0.000 2.171 256 N HA -0.095 4.644 4.740 -0.001 0.000 0.184 256 N C 1.882 177.376 175.510 -0.027 0.000 1.021 256 N CA 1.356 54.390 53.050 -0.027 0.000 0.854 256 N CB -0.214 38.254 38.487 -0.032 0.000 0.994 256 N HN 0.415 nan 8.380 nan 0.000 0.426 257 S N 1.121 116.809 115.700 -0.019 0.000 2.382 257 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 257 S C 1.849 176.435 174.600 -0.023 0.000 1.027 257 S CA 0.485 58.673 58.200 -0.019 0.000 0.991 257 S CB -0.247 62.948 63.200 -0.009 0.000 0.823 257 S HN 0.297 nan 8.310 nan 0.000 0.469 258 L N 1.666 122.879 121.223 -0.017 0.000 2.056 258 L HA 0.055 4.394 4.340 -0.001 0.000 0.207 258 L C 2.010 178.848 176.870 -0.053 0.000 1.078 258 L CA 1.339 56.164 54.840 -0.025 0.000 0.749 258 L CB -0.786 41.270 42.059 -0.005 0.000 0.901 258 L HN 0.268 nan 8.230 nan 0.000 0.433 259 L N -1.090 120.102 121.223 -0.052 0.000 2.012 259 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 259 L C 2.379 179.198 176.870 -0.086 0.000 1.073 259 L CA 1.940 56.735 54.840 -0.075 0.000 0.748 259 L CB -0.794 41.229 42.059 -0.061 0.000 0.891 259 L HN 0.120 nan 8.230 nan 0.000 0.431 260 V N 0.109 119.984 119.914 -0.064 0.000 2.343 260 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 260 V C 2.812 178.864 176.094 -0.069 0.000 1.051 260 V CA 1.694 63.958 62.300 -0.061 0.000 1.036 260 V CB -1.401 30.395 31.823 -0.044 0.000 0.654 260 V HN 0.636 nan 8.190 nan 0.000 0.451 261 A N -0.354 122.426 122.820 -0.065 0.000 1.902 261 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 261 A C 2.389 179.912 177.584 -0.102 0.000 1.181 261 A CA 2.026 54.023 52.037 -0.067 0.000 0.623 261 A CB -0.655 18.311 19.000 -0.056 0.000 0.818 261 A HN 0.338 nan 8.150 nan 0.000 0.443 262 V N 0.239 120.068 119.914 -0.142 0.000 2.343 262 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 262 V C 2.402 178.297 176.094 -0.332 0.000 1.051 262 V CA 2.005 64.158 62.300 -0.245 0.000 1.036 262 V CB -0.659 31.011 31.823 -0.254 0.000 0.654 262 V HN 0.579 nan 8.190 nan 0.000 0.451 263 I N 0.804 121.236 120.570 -0.229 0.000 2.286 263 I HA -0.163 4.007 4.170 -0.001 0.000 0.248 263 I C 2.560 178.612 176.117 -0.108 0.000 1.115 263 I CA 1.581 62.766 61.300 -0.192 0.000 1.392 263 I CB -0.889 37.041 38.000 -0.116 0.000 1.065 263 I HN 0.416 nan 8.210 nan 0.000 0.418 264 G N 0.029 108.783 108.800 -0.076 0.000 2.462 264 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.220 264 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.220 264 G C 1.450 176.369 174.900 0.031 0.000 1.121 264 G CA 0.949 46.035 45.100 -0.022 0.000 0.758 264 G HN 0.608 nan 8.290 nan 0.000 0.559 265 G N -0.876 107.959 108.800 0.059 0.000 2.195 265 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.224 265 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.224 265 G C 1.447 176.452 174.900 0.175 0.000 0.990 265 G CA 1.035 46.276 45.100 0.235 0.000 0.639 265 G HN 1.406 nan 8.290 nan 0.000 0.514 266 S N -0.518 115.223 115.700 0.068 0.000 2.562 266 S HA 0.446 4.915 4.470 -0.001 0.000 0.221 266 S C 0.890 175.508 174.600 0.030 0.000 0.975 266 S CA 0.329 58.548 58.200 0.032 0.000 0.918 266 S CB 0.113 63.310 63.200 -0.005 0.000 0.772 266 S HN 0.531 nan 8.310 nan 0.000 0.531 267 I N 2.481 123.079 120.570 0.047 0.000 2.339 267 I HA 0.283 4.452 4.170 -0.001 0.000 0.290 267 I C 0.235 176.432 176.117 0.135 0.000 0.994 267 I CA -0.623 60.683 61.300 0.010 0.000 1.191 267 I CB 1.586 39.542 38.000 -0.074 0.000 1.343 267 I HN 0.001 nan 8.210 nan 0.000 0.458 268 D N 5.108 125.560 120.400 0.088 0.000 2.149 268 D HA 0.072 4.712 4.640 -0.001 0.000 0.201 268 D C 0.565 176.889 176.300 0.040 0.000 0.972 268 D CA 0.885 54.981 54.000 0.161 0.000 0.835 268 D CB 0.480 41.377 40.800 0.160 0.000 0.966 268 D HN 0.593 nan 8.370 nan 0.000 0.476 269 A N -0.132 122.589 122.820 -0.165 0.000 2.612 269 A HA 0.537 4.857 4.320 -0.001 0.000 0.293 269 A C -0.534 176.928 177.584 -0.204 0.000 1.075 269 A CA -0.667 51.188 52.037 -0.304 0.000 0.680 269 A CB 1.372 19.766 19.000 -1.011 0.000 1.279 269 A HN 0.011 nan 8.150 nan 0.000 0.411 270 T N -1.039 113.503 114.554 -0.020 0.000 2.925 270 T HA 0.697 5.046 4.350 -0.001 0.000 0.285 270 T C 0.501 175.371 174.700 0.283 0.000 1.021 270 T CA 0.020 62.158 62.100 0.064 0.000 1.042 270 T CB 1.480 70.371 68.868 0.038 0.000 1.037 270 T HN 1.372 nan 8.240 nan 0.000 0.481 271 S N 0.554 116.380 115.700 0.210 0.000 2.624 271 S HA 0.249 4.719 4.470 -0.001 0.000 0.263 271 S C 1.709 176.518 174.600 0.348 0.000 1.287 271 S CA -0.091 58.313 58.200 0.340 0.000 0.990 271 S CB 0.359 63.756 63.200 0.328 0.000 0.950 271 S HN 1.031 nan 8.310 nan 0.000 0.561 272 S N 0.842 116.795 115.700 0.423 0.000 2.515 272 S HA 0.048 4.518 4.470 -0.001 0.000 0.231 272 S C 0.340 175.051 174.600 0.184 0.000 0.987 272 S CA 0.192 58.588 58.200 0.326 0.000 0.936 272 S CB -0.298 63.192 63.200 0.483 0.000 0.766 272 S HN 0.498 nan 8.310 nan 0.000 0.528 273 V N 2.597 122.638 119.914 0.211 0.000 2.235 273 V HA 0.535 4.654 4.120 -0.001 0.000 0.266 273 V C 0.339 176.527 176.094 0.157 0.000 1.055 273 V CA 0.195 62.600 62.300 0.175 0.000 0.844 273 V CB 0.081 32.023 31.823 0.198 0.000 1.097 273 V HN 0.621 nan 8.190 nan 0.000 0.453 274 S N 3.642 119.399 115.700 0.096 0.000 4.569 274 S HA 0.515 4.984 4.470 -0.001 0.000 0.161 274 S C 0.037 174.660 174.600 0.038 0.000 1.104 274 S CA -0.516 57.724 58.200 0.067 0.000 1.153 274 S CB 0.434 63.657 63.200 0.038 0.000 2.018 274 S HN 0.260 nan 8.310 nan 0.000 0.800 275 L N 3.086 124.305 121.223 -0.006 0.000 2.399 275 L HA 0.559 4.898 4.340 -0.001 0.000 0.266 275 L C 0.560 177.447 176.870 0.028 0.000 1.114 275 L CA -0.572 54.265 54.840 -0.005 0.000 0.804 275 L CB 1.249 43.276 42.059 -0.052 0.000 1.146 275 L HN 0.736 nan 8.230 nan 0.000 0.451 276 T N -2.558 112.044 114.554 0.079 0.000 2.902 276 T HA 0.202 4.551 4.350 -0.001 0.000 0.280 276 T C 0.876 175.704 174.700 0.214 0.000 0.992 276 T CA -0.509 61.688 62.100 0.162 0.000 1.015 276 T CB 0.965 69.963 68.868 0.217 0.000 1.044 276 T HN 0.445 nan 8.240 nan 0.000 0.520 277 F N 2.075 122.092 119.950 0.112 0.000 2.087 277 F HA -0.239 4.288 4.527 -0.001 0.000 0.299 277 F C 2.367 178.329 175.800 0.271 0.000 1.100 277 F CA 2.688 60.792 58.000 0.173 0.000 1.226 277 F CB -0.332 38.593 39.000 -0.125 0.000 0.983 277 F HN 0.830 nan 8.300 nan 0.000 0.479 278 D N -0.356 120.357 120.400 0.522 0.000 2.149 278 D HA -0.252 4.387 4.640 -0.001 0.000 0.198 278 D C 1.818 178.188 176.300 0.118 0.000 0.990 278 D CA 1.630 55.827 54.000 0.329 0.000 0.839 278 D CB -1.015 39.938 40.800 0.254 0.000 0.948 278 D HN 0.498 nan 8.370 nan 0.000 0.460 279 Q N 0.406 120.263 119.800 0.096 0.000 2.119 279 Q HA 0.007 4.347 4.340 -0.001 0.000 0.201 279 Q C 2.495 178.491 176.000 -0.007 0.000 0.972 279 Q CA 1.269 57.084 55.803 0.020 0.000 0.847 279 Q CB -0.323 28.419 28.738 0.007 0.000 0.903 279 Q HN 0.480 nan 8.270 nan 0.000 0.433 280 G N 1.925 110.724 108.800 -0.001 0.000 2.470 280 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 280 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 280 G C 1.284 176.242 174.900 0.095 0.000 1.121 280 G CA 0.534 45.603 45.100 -0.052 0.000 0.766 280 G HN 0.327 nan 8.290 nan 0.000 0.553 281 R N 0.527 121.082 120.500 0.092 0.000 2.509 281 R HA 0.237 4.577 4.340 -0.001 0.000 0.300 281 R C 0.476 176.777 176.300 0.002 0.000 0.985 281 R CA 0.167 56.295 56.100 0.047 0.000 1.092 281 R CB -0.109 30.144 30.300 -0.079 0.000 1.237 281 R HN 0.233 nan 8.270 nan 0.000 0.546 282 S N 1.444 117.140 115.700 -0.006 0.000 2.576 282 S HA 0.183 4.652 4.470 -0.001 0.000 0.276 282 S C -1.313 173.271 174.600 -0.027 0.000 1.339 282 S CA -1.157 57.030 58.200 -0.022 0.000 1.039 282 S CB 1.352 64.533 63.200 -0.032 0.000 0.902 282 S HN 0.008 nan 8.310 nan 0.000 0.516 283 P HA -0.218 nan 4.420 nan 0.000 0.217 283 P C 1.528 178.810 177.300 -0.031 0.000 1.150 283 P CA 1.270 64.355 63.100 -0.026 0.000 0.832 283 P CB -0.076 31.609 31.700 -0.025 0.000 0.787 284 Q N -0.462 119.316 119.800 -0.036 0.000 2.291 284 Q HA -0.131 4.208 4.340 -0.001 0.000 0.206 284 Q C 2.050 178.020 176.000 -0.049 0.000 0.976 284 Q CA 1.129 56.908 55.803 -0.040 0.000 0.875 284 Q CB -1.132 27.580 28.738 -0.043 0.000 0.927 284 Q HN 0.271 nan 8.270 nan 0.000 0.450 285 L N 0.293 121.482 121.223 -0.056 0.000 2.189 285 L HA 0.038 4.377 4.340 -0.001 0.000 0.199 285 L C 2.273 179.107 176.870 -0.059 0.000 1.074 285 L CA 0.764 55.558 54.840 -0.077 0.000 0.783 285 L CB -0.398 41.604 42.059 -0.095 0.000 0.955 285 L HN -0.063 nan 8.230 nan 0.000 0.460 286 V N 0.571 120.459 119.914 -0.043 0.000 2.332 286 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 286 V C 2.623 178.704 176.094 -0.021 0.000 1.055 286 V CA 2.199 64.481 62.300 -0.030 0.000 1.038 286 V CB -0.822 30.989 31.823 -0.020 0.000 0.651 286 V HN 0.440 nan 8.190 nan 0.000 0.450 287 R N -0.506 119.981 120.500 -0.020 0.000 2.280 287 R HA 0.027 4.366 4.340 -0.001 0.000 0.207 287 R C 1.935 178.232 176.300 -0.006 0.000 1.043 287 R CA 0.418 56.510 56.100 -0.013 0.000 1.006 287 R CB -0.061 30.230 30.300 -0.015 0.000 0.885 287 R HN 0.353 nan 8.270 nan 0.000 0.467 288 R N -0.533 119.964 120.500 -0.006 0.000 2.397 288 R HA 0.230 4.569 4.340 -0.001 0.000 0.241 288 R C 1.368 177.702 176.300 0.056 0.000 0.914 288 R CA 0.312 56.420 56.100 0.014 0.000 1.071 288 R CB 0.698 30.995 30.300 -0.005 0.000 1.116 288 R HN 0.122 nan 8.270 nan 0.000 0.524 289 A N 1.977 124.824 122.820 0.045 0.000 1.930 289 A HA 0.080 4.399 4.320 -0.001 0.000 0.215 289 A C -1.354 176.277 177.584 0.078 0.000 1.176 289 A CA 0.323 52.416 52.037 0.094 0.000 0.632 289 A CB -1.045 17.976 19.000 0.034 0.000 0.819 289 A HN 0.083 nan 8.150 nan 0.000 0.445 290 P HA 0.159 nan 4.420 nan 0.000 0.257 290 P C 0.913 178.220 177.300 0.012 0.000 1.162 290 P CA 1.993 65.101 63.100 0.013 0.000 0.762 290 P CB 0.086 31.789 31.700 0.004 0.000 0.753 291 G N 3.313 112.111 108.800 -0.004 0.000 2.175 291 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.265 291 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.265 291 G C 0.969 175.836 174.900 -0.054 0.000 0.979 291 G CA 0.601 45.687 45.100 -0.024 0.000 0.663 291 G HN 0.563 nan 8.290 nan 0.000 0.533 292 R N -2.052 118.421 120.500 -0.045 0.000 2.437 292 R HA 0.495 4.834 4.340 -0.001 0.000 0.184 292 R C 0.139 176.168 176.300 -0.451 0.000 0.850 292 R CA 0.501 56.496 56.100 -0.175 0.000 1.073 292 R CB 0.576 30.920 30.300 0.073 0.000 1.336 292 R HN 0.306 nan 8.270 nan 0.000 0.640 293 F N 0.454 120.394 119.950 -0.016 0.000 2.626 293 F HA 0.385 4.910 4.527 -0.002 0.000 0.311 293 F C -0.779 174.985 175.800 -0.061 0.000 1.088 293 F CA -1.136 56.854 58.000 -0.017 0.000 0.949 293 F CB 1.799 40.781 39.000 -0.029 0.000 1.322 293 F HN -0.255 nan 8.300 nan 0.000 0.461 294 D N 1.875 122.357 120.400 0.137 0.000 2.248 294 D HA 0.568 5.207 4.640 -0.001 0.000 0.246 294 D C -0.817 175.346 176.300 -0.228 0.000 1.027 294 D CA -0.118 53.805 54.000 -0.129 0.000 0.853 294 D CB 2.630 43.363 40.800 -0.111 0.000 1.243 294 D HN 0.288 nan 8.370 nan 0.000 0.462 295 I N 1.611 121.904 120.570 -0.463 0.000 2.406 295 I HA 0.382 4.551 4.170 -0.001 0.000 0.290 295 I C -0.888 174.893 176.117 -0.561 0.000 0.999 295 I CA -0.721 60.348 61.300 -0.385 0.000 1.124 295 I CB 1.266 39.109 38.000 -0.262 0.000 1.289 295 I HN 0.184 nan 8.210 nan 0.000 0.441 296 W N 5.261 126.485 121.300 -0.127 0.000 2.864 296 W HA 0.607 5.267 4.660 0.000 0.000 0.343 296 W C -1.140 175.222 176.519 -0.261 0.000 1.109 296 W CA -0.516 56.815 57.345 -0.025 0.000 1.192 296 W CB 1.411 30.952 29.460 0.136 0.000 1.426 296 W HN 0.108 nan 8.180 nan 0.000 0.529 297 F N 1.839 122.021 119.950 0.386 0.000 2.460 297 F HA 0.549 5.075 4.527 -0.002 0.000 0.341 297 F C -0.323 175.662 175.800 0.308 0.000 1.130 297 F CA -1.132 57.028 58.000 0.266 0.000 0.962 297 F CB 1.299 40.402 39.000 0.172 0.000 1.171 297 F HN -0.171 nan 8.300 nan 0.000 0.436 298 V N 5.229 125.400 119.914 0.428 0.000 2.357 298 V HA 0.397 4.516 4.120 -0.001 0.000 0.284 298 V C -2.285 173.952 176.094 0.237 0.000 1.018 298 V CA -2.137 60.363 62.300 0.333 0.000 0.841 298 V CB 1.510 33.553 31.823 0.367 0.000 0.991 298 V HN 0.466 nan 8.190 nan 0.000 0.437 299 P HA 0.479 nan 4.420 nan 0.000 0.271 299 P C 0.181 177.467 177.300 -0.024 0.000 1.218 299 P CA 0.311 63.455 63.100 0.072 0.000 0.780 299 P CB 1.064 32.785 31.700 0.034 0.000 0.901 300 G N 0.172 108.930 108.800 -0.070 0.000 2.663 300 G HA2 0.534 4.493 3.960 -0.001 0.000 0.299 300 G HA3 0.534 4.493 3.960 -0.001 0.000 0.299 300 G C -1.543 173.252 174.900 -0.175 0.000 1.372 300 G CA -0.587 44.394 45.100 -0.199 0.000 0.781 300 G HN 0.378 nan 8.290 nan 0.000 0.491 301 A N 0.470 123.164 122.820 -0.211 0.000 3.015 301 A HA 0.648 4.967 4.320 -0.001 0.000 0.293 301 A C -0.209 177.456 177.584 0.134 0.000 1.572 301 A CA -0.205 51.809 52.037 -0.038 0.000 1.274 301 A CB -1.048 17.977 19.000 0.042 0.000 1.156 301 A HN 0.451 nan 8.150 nan 0.000 0.562 302 I N 1.033 121.716 120.570 0.188 0.000 2.420 302 I HA 0.240 4.410 4.170 -0.001 0.000 0.282 302 I C -0.902 175.450 176.117 0.392 0.000 1.019 302 I CA -0.344 61.110 61.300 0.257 0.000 1.130 302 I CB 1.314 39.414 38.000 0.166 0.000 1.262 302 I HN 0.694 nan 8.210 nan 0.000 0.454 303 W N 7.663 129.094 121.300 0.218 0.000 2.299 303 W HA 0.461 5.121 4.660 -0.001 0.000 0.319 303 W C 0.081 176.646 176.519 0.076 0.000 1.008 303 W CA -0.866 56.592 57.345 0.188 0.000 1.384 303 W CB 0.887 30.525 29.460 0.295 0.000 1.220 303 W HN 0.379 nan 8.180 nan 0.000 0.402 304 E N 5.623 125.563 120.200 -0.433 0.000 2.290 304 E HA 0.176 4.525 4.350 -0.001 0.000 0.277 304 E C 0.019 176.039 176.600 -0.966 0.000 1.035 304 E CA 0.527 56.490 56.400 -0.728 0.000 0.873 304 E CB 0.290 29.301 29.700 -1.148 0.000 1.029 304 E HN 0.516 nan 8.360 nan 0.000 0.419 305 H N 2.564 120.998 119.070 -1.059 0.000 2.918 305 H HA 0.460 5.016 4.556 -0.001 0.000 0.303 305 H C -1.031 173.914 175.328 -0.639 0.000 1.380 305 H CA -1.066 54.364 56.048 -1.030 0.000 1.134 305 H CB 0.328 28.984 29.762 -1.842 0.000 1.842 305 H HN 0.367 nan 8.280 nan 0.000 0.533 306 I N 2.004 122.296 120.570 -0.462 0.000 2.439 306 I HA 0.150 4.319 4.170 -0.001 0.000 0.283 306 I C -0.499 175.586 176.117 -0.054 0.000 1.023 306 I CA -0.604 60.512 61.300 -0.306 0.000 1.100 306 I CB 1.611 39.494 38.000 -0.195 0.000 1.238 306 I HN 0.366 nan 8.210 nan 0.000 0.445 307 D N 6.303 126.711 120.400 0.013 0.000 2.339 307 D HA 0.405 5.045 4.640 -0.001 0.000 0.245 307 D C -0.301 176.233 176.300 0.389 0.000 1.115 307 D CA 0.148 54.338 54.000 0.317 0.000 0.917 307 D CB 2.074 43.138 40.800 0.439 0.000 1.192 307 D HN 0.169 nan 8.370 nan 0.000 0.428 308 I N 2.098 122.933 120.570 0.443 0.000 2.466 308 I HA 0.088 4.257 4.170 -0.001 0.000 0.289 308 I C 0.189 176.523 176.117 0.362 0.000 1.026 308 I CA -0.746 60.775 61.300 0.370 0.000 1.078 308 I CB 1.373 39.459 38.000 0.144 0.000 1.249 308 I HN 0.188 nan 8.210 nan 0.000 0.429 309 N N 6.152 125.027 118.700 0.292 0.000 2.431 309 N HA 0.082 4.821 4.740 -0.001 0.000 0.265 309 N C 0.163 175.694 175.510 0.035 0.000 1.184 309 N CA 0.448 53.502 53.050 0.006 0.000 0.943 309 N CB 0.764 39.139 38.487 -0.188 0.000 1.080 309 N HN 0.522 nan 8.380 nan 0.000 0.477 310 K N 3.110 123.481 120.400 -0.048 0.000 2.478 310 K HA 0.164 4.484 4.320 -0.001 0.000 0.205 310 K C -0.490 176.015 176.600 -0.158 0.000 1.033 310 K CA -0.276 55.959 56.287 -0.086 0.000 1.091 310 K CB 0.345 32.800 32.500 -0.075 0.000 0.844 310 K HN 0.374 nan 8.250 nan 0.000 0.507 311 F N 2.088 122.019 119.950 -0.031 0.000 2.466 311 F HA 0.050 4.576 4.527 -0.001 0.000 0.363 311 F C 1.326 177.106 175.800 -0.034 0.000 1.109 311 F CA 0.039 58.019 58.000 -0.033 0.000 1.161 311 F CB 0.634 39.592 39.000 -0.069 0.000 1.117 311 F HN 0.068 nan 8.300 nan 0.000 0.539 312 E N 1.713 121.980 120.200 0.111 0.000 2.333 312 E HA -0.198 4.152 4.350 -0.001 0.000 0.198 312 E C 1.665 178.302 176.600 0.062 0.000 1.007 312 E CA 0.819 57.256 56.400 0.061 0.000 0.845 312 E CB -0.082 29.634 29.700 0.027 0.000 0.766 312 E HN 0.624 nan 8.360 nan 0.000 0.507 313 N N 0.290 119.046 118.700 0.092 0.000 2.494 313 N HA -0.078 4.661 4.740 -0.001 0.000 0.182 313 N C -0.031 175.493 175.510 0.023 0.000 1.076 313 N CA 0.291 53.370 53.050 0.048 0.000 0.908 313 N CB -0.075 38.437 38.487 0.042 0.000 0.967 313 N HN 0.007 nan 8.380 nan 0.000 0.449 314 c N 2.156 120.775 118.600 0.033 0.000 2.225 314 c HA 0.231 4.801 4.570 -0.001 0.000 0.328 314 c C 1.776 175.871 174.090 0.008 0.000 1.187 314 c CA -0.663 55.668 56.329 0.003 0.000 1.665 314 c CB 0.426 42.929 42.510 -0.011 0.000 2.253 314 c HN 0.356 nan 8.230 nan 0.000 0.497 315 Q N 2.260 122.060 119.800 0.001 0.000 2.181 315 Q HA -0.124 4.215 4.340 -0.001 0.000 0.205 315 Q C 1.856 177.855 176.000 -0.002 0.000 0.980 315 Q CA 1.739 57.541 55.803 -0.001 0.000 0.862 315 Q CB -0.136 28.599 28.738 -0.004 0.000 0.905 315 Q HN 0.730 nan 8.270 nan 0.000 0.429 316 V N -0.862 119.052 119.914 -0.001 0.000 2.392 316 V HA -0.247 3.872 4.120 -0.001 0.000 0.249 316 V C 2.205 178.294 176.094 -0.007 0.000 1.059 316 V CA 1.571 63.870 62.300 -0.001 0.000 1.051 316 V CB -0.618 31.208 31.823 0.005 0.000 0.658 316 V HN 0.223 nan 8.190 nan 0.000 0.455 317 V N -0.226 119.689 119.914 0.002 0.000 2.295 317 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 317 V C 2.441 178.537 176.094 0.004 0.000 1.049 317 V CA 2.075 64.379 62.300 0.007 0.000 1.024 317 V CB -0.659 31.180 31.823 0.027 0.000 0.648 317 V HN 0.543 nan 8.190 nan 0.000 0.447 318 K N -0.388 120.015 120.400 0.004 0.000 2.097 318 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 318 K C 1.909 178.502 176.600 -0.011 0.000 1.050 318 K CA 1.510 57.796 56.287 -0.001 0.000 0.938 318 K CB -0.315 32.182 32.500 -0.006 0.000 0.718 318 K HN 0.433 nan 8.250 nan 0.000 0.442 319 D N 1.234 121.626 120.400 -0.014 0.000 2.104 319 D HA -0.144 4.495 4.640 -0.001 0.000 0.194 319 D C 1.803 178.122 176.300 0.032 0.000 0.994 319 D CA 1.139 55.129 54.000 -0.017 0.000 0.830 319 D CB -0.138 40.660 40.800 -0.003 0.000 0.959 319 D HN 0.127 nan 8.370 nan 0.000 0.452 320 L N -0.611 120.609 121.223 -0.006 0.000 2.478 320 L HA 0.123 4.462 4.340 -0.001 0.000 0.223 320 L C 1.406 178.302 176.870 0.042 0.000 1.140 320 L CA 0.473 55.241 54.840 -0.120 0.000 0.842 320 L CB -0.266 41.564 42.059 -0.382 0.000 0.953 320 L HN 0.138 nan 8.230 nan 0.000 0.452 321 G N 0.332 109.175 108.800 0.072 0.000 2.176 321 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.252 321 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.252 321 G C 0.776 175.728 174.900 0.087 0.000 1.024 321 G CA 0.276 45.438 45.100 0.105 0.000 0.755 321 G HN 0.338 nan 8.290 nan 0.000 0.507 322 L N 0.291 121.541 121.223 0.045 0.000 2.353 322 L HA -0.065 4.275 4.340 -0.001 0.000 0.220 322 L C 2.566 179.456 176.870 0.033 0.000 1.133 322 L CA 1.414 56.282 54.840 0.045 0.000 0.798 322 L CB -0.431 41.652 42.059 0.040 0.000 0.922 322 L HN 0.599 nan 8.230 nan 0.000 0.445 323 N N -1.370 117.347 118.700 0.029 0.000 2.467 323 N HA -0.097 4.643 4.740 -0.001 0.000 0.184 323 N C 0.317 175.845 175.510 0.031 0.000 1.106 323 N CA 0.340 53.403 53.050 0.021 0.000 0.892 323 N CB -0.191 38.300 38.487 0.008 0.000 0.969 323 N HN 0.245 nan 8.380 nan 0.000 0.454 324 D N 1.547 121.972 120.400 0.042 0.000 2.232 324 D HA 0.057 4.696 4.640 -0.001 0.000 0.242 324 D C 1.075 177.396 176.300 0.036 0.000 1.093 324 D CA -0.365 53.663 54.000 0.047 0.000 0.845 324 D CB 1.785 42.626 40.800 0.067 0.000 1.124 324 D HN 0.250 nan 8.370 nan 0.000 0.467 325 K N 3.614 124.029 120.400 0.025 0.000 2.211 325 K HA -0.162 4.157 4.320 -0.001 0.000 0.204 325 K C 1.449 178.045 176.600 -0.006 0.000 1.047 325 K CA 0.868 57.147 56.287 -0.012 0.000 0.935 325 K CB 0.132 32.633 32.500 0.003 0.000 0.728 325 K HN 0.272 nan 8.250 nan 0.000 0.452 326 R N 0.601 121.126 120.500 0.041 0.000 2.096 326 R HA -0.063 4.276 4.340 -0.001 0.000 0.235 326 R C 2.194 178.533 176.300 0.066 0.000 1.127 326 R CA 1.982 58.121 56.100 0.065 0.000 0.968 326 R CB -0.494 29.859 30.300 0.090 0.000 0.861 326 R HN 0.345 nan 8.270 nan 0.000 0.440 327 T N 0.531 115.135 114.554 0.084 0.000 2.777 327 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 327 T C 1.739 176.455 174.700 0.026 0.000 1.040 327 T CA 1.070 63.239 62.100 0.114 0.000 1.141 327 T CB -0.071 68.906 68.868 0.181 0.000 0.868 327 T HN 0.299 nan 8.240 nan 0.000 0.444 328 R N 1.036 121.511 120.500 -0.040 0.000 2.092 328 R HA -0.010 4.329 4.340 -0.001 0.000 0.231 328 R C 2.696 178.849 176.300 -0.245 0.000 1.119 328 R CA 1.078 57.094 56.100 -0.140 0.000 0.970 328 R CB -0.246 29.940 30.300 -0.189 0.000 0.864 328 R HN 0.526 nan 8.270 nan 0.000 0.440 329 Q N 0.386 120.044 119.800 -0.236 0.000 2.079 329 Q HA -0.077 4.263 4.340 -0.001 0.000 0.200 329 Q C 2.251 178.167 176.000 -0.140 0.000 0.974 329 Q CA 1.452 57.052 55.803 -0.338 0.000 0.840 329 Q CB -0.144 28.543 28.738 -0.085 0.000 0.898 329 Q HN 0.346 nan 8.270 nan 0.000 0.430 330 A N 1.148 123.960 122.820 -0.013 0.000 1.877 330 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 330 A C 2.069 179.625 177.584 -0.048 0.000 1.186 330 A CA 1.228 53.283 52.037 0.031 0.000 0.620 330 A CB -0.687 18.312 19.000 -0.002 0.000 0.822 330 A HN 0.300 nan 8.150 nan 0.000 0.443 331 I N -0.953 119.547 120.570 -0.117 0.000 2.208 331 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 331 I C 2.420 178.433 176.117 -0.173 0.000 1.097 331 I CA 1.197 62.401 61.300 -0.161 0.000 1.363 331 I CB -0.291 37.615 38.000 -0.157 0.000 1.051 331 I HN 0.349 nan 8.210 nan 0.000 0.413 332 L N 0.264 121.352 121.223 -0.226 0.000 2.083 332 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 332 L C 2.560 179.373 176.870 -0.095 0.000 1.083 332 L CA 1.985 56.679 54.840 -0.244 0.000 0.752 332 L CB -0.977 40.839 42.059 -0.406 0.000 0.899 332 L HN 0.266 nan 8.230 nan 0.000 0.433 333 H N -0.882 118.181 119.070 -0.012 0.000 2.489 333 H HA 0.093 4.648 4.556 -0.001 0.000 0.293 333 H C 1.883 177.247 175.328 0.061 0.000 1.066 333 H CA 1.037 57.119 56.048 0.056 0.000 1.305 333 H CB -0.003 29.770 29.762 0.019 0.000 1.386 333 H HN 0.467 nan 8.280 nan 0.000 0.551 334 A N 0.485 123.385 122.820 0.133 0.000 2.275 334 A HA 0.179 4.498 4.320 -0.001 0.000 0.212 334 A C 0.890 178.612 177.584 0.230 0.000 1.201 334 A CA -0.163 51.969 52.037 0.158 0.000 0.843 334 A CB 0.038 19.036 19.000 -0.003 0.000 0.873 334 A HN 0.125 nan 8.150 nan 0.000 0.492 335 L N 1.232 122.479 121.223 0.041 0.000 2.255 335 L HA 0.248 4.587 4.340 -0.001 0.000 0.289 335 L C 0.002 176.852 176.870 -0.034 0.000 1.046 335 L CA -0.654 53.996 54.840 -0.317 0.000 0.816 335 L CB 0.729 42.305 42.059 -0.806 0.000 1.197 335 L HN 0.140 nan 8.230 nan 0.000 0.427 336 N N 3.222 121.839 118.700 -0.139 0.000 3.050 336 N HA 0.078 4.817 4.740 -0.001 0.000 0.289 336 N C 1.135 176.706 175.510 0.101 0.000 1.209 336 N CA 0.083 52.880 53.050 -0.422 0.000 1.154 336 N CB 0.210 38.062 38.487 -1.059 0.000 1.444 336 N HN 0.462 nan 8.380 nan 0.000 0.529 337 R N 0.377 120.959 120.500 0.137 0.000 2.081 337 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 337 R C 1.360 177.681 176.300 0.035 0.000 1.131 337 R CA 1.219 57.409 56.100 0.150 0.000 0.960 337 R CB 0.013 30.395 30.300 0.137 0.000 0.856 337 R HN 0.368 nan 8.270 nan 0.000 0.436 338 E N 0.366 120.601 120.200 0.058 0.000 2.110 338 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 338 E C 1.948 178.534 176.600 -0.024 0.000 0.988 338 E CA 1.633 58.056 56.400 0.038 0.000 0.804 338 E CB -0.452 29.305 29.700 0.095 0.000 0.745 338 E HN 0.344 nan 8.360 nan 0.000 0.458 339 G N 1.265 110.049 108.800 -0.027 0.000 2.422 339 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 339 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 339 G C 1.466 176.241 174.900 -0.209 0.000 1.146 339 G CA 0.758 45.843 45.100 -0.025 0.000 0.769 339 G HN 0.330 nan 8.290 nan 0.000 0.547 340 L N 1.774 122.730 121.223 -0.444 0.000 1.994 340 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 340 L C 3.130 179.481 176.870 -0.865 0.000 1.071 340 L CA 2.534 56.695 54.840 -1.132 0.000 0.745 340 L CB -0.973 40.395 42.059 -1.152 0.000 0.892 340 L HN 0.282 nan 8.230 nan 0.000 0.431 341 V N -1.824 117.811 119.914 -0.466 0.000 2.515 341 V HA -0.230 3.890 4.120 -0.001 0.000 0.250 341 V C 2.629 178.621 176.094 -0.171 0.000 1.058 341 V CA 1.924 64.059 62.300 -0.276 0.000 1.064 341 V CB -0.968 30.805 31.823 -0.084 0.000 0.675 341 V HN 0.482 nan 8.190 nan 0.000 0.461 342 K N 1.128 121.443 120.400 -0.143 0.000 2.001 342 K HA -0.050 4.270 4.320 -0.001 0.000 0.208 342 K C 2.264 178.823 176.600 -0.068 0.000 1.048 342 K CA 1.683 57.932 56.287 -0.063 0.000 0.932 342 K CB -0.536 31.946 32.500 -0.030 0.000 0.715 342 K HN 0.524 nan 8.250 nan 0.000 0.437 343 A N 0.399 123.157 122.820 -0.103 0.000 1.898 343 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 343 A C 1.887 179.476 177.584 0.009 0.000 1.181 343 A CA 1.150 53.176 52.037 -0.019 0.000 0.620 343 A CB -0.590 18.433 19.000 0.037 0.000 0.819 343 A HN 0.348 nan 8.150 nan 0.000 0.442 344 F N -1.678 117.927 119.950 -0.575 0.000 2.270 344 F HA 0.160 4.686 4.527 -0.001 0.000 0.295 344 F C 1.253 176.619 175.800 -0.722 0.000 1.087 344 F CA 0.400 57.891 58.000 -0.849 0.000 1.365 344 F CB -0.469 37.601 39.000 -1.550 0.000 1.056 344 F HN 0.249 nan 8.300 nan 0.000 0.506 345 F N -1.186 118.797 119.950 0.055 0.000 2.772 345 F HA 0.240 4.766 4.527 -0.001 0.000 0.316 345 F C 0.040 175.860 175.800 0.033 0.000 1.114 345 F CA -0.553 57.479 58.000 0.052 0.000 1.191 345 F CB 0.055 38.952 39.000 -0.172 0.000 1.065 345 F HN -0.247 nan 8.300 nan 0.000 0.534 346 D N 1.203 121.674 120.400 0.118 0.000 2.837 346 D HA -0.206 4.433 4.640 -0.001 0.000 0.230 346 D C 1.634 177.972 176.300 0.063 0.000 1.152 346 D CA 1.487 55.532 54.000 0.075 0.000 0.736 346 D CB -1.280 39.570 40.800 0.084 0.000 1.084 346 D HN 0.698 nan 8.370 nan 0.000 0.429 347 G N -0.740 108.092 108.800 0.052 0.000 2.189 347 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.267 347 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.267 347 G C 1.205 176.095 174.900 -0.016 0.000 0.975 347 G CA 0.640 45.753 45.100 0.021 0.000 0.644 347 G HN 0.513 nan 8.290 nan 0.000 0.537 348 L N -0.633 120.569 121.223 -0.036 0.000 2.362 348 L HA 0.082 4.421 4.340 -0.001 0.000 0.219 348 L C 1.621 178.266 176.870 -0.376 0.000 1.134 348 L CA 0.996 55.756 54.840 -0.133 0.000 0.807 348 L CB -0.034 42.039 42.059 0.025 0.000 0.927 348 L HN 0.371 nan 8.230 nan 0.000 0.447 349 Q N 1.419 120.919 119.800 -0.500 0.000 2.425 349 Q HA 0.290 4.630 4.340 -0.001 0.000 0.254 349 Q C -2.247 173.647 176.000 -0.176 0.000 1.032 349 Q CA -2.017 53.487 55.803 -0.499 0.000 0.798 349 Q CB 1.834 29.983 28.738 -0.981 0.000 1.210 349 Q HN -0.010 nan 8.270 nan 0.000 0.491 350 P HA 0.032 nan 4.420 nan 0.000 0.275 350 P C -0.041 177.298 177.300 0.065 0.000 1.228 350 P CA -0.242 62.890 63.100 0.053 0.000 0.786 350 P CB 1.094 32.858 31.700 0.108 0.000 0.927 351 V N 2.081 122.012 119.914 0.028 0.000 2.673 351 V HA 0.172 4.291 4.120 -0.001 0.000 0.303 351 V C 1.065 176.994 176.094 -0.276 0.000 1.046 351 V CA 0.480 62.737 62.300 -0.071 0.000 1.126 351 V CB -0.038 31.752 31.823 -0.056 0.000 0.934 351 V HN 0.765 nan 8.190 nan 0.000 0.487 352 A N 4.094 126.648 122.820 -0.444 0.000 2.312 352 A HA 0.666 4.985 4.320 -0.001 0.000 0.326 352 A C 0.341 177.676 177.584 -0.414 0.000 1.172 352 A CA -0.467 51.198 52.037 -0.620 0.000 0.821 352 A CB 0.521 18.860 19.000 -1.102 0.000 1.166 352 A HN 0.966 nan 8.150 nan 0.000 0.493 353 H N 0.459 119.646 119.070 0.196 0.000 3.058 353 H HA 0.201 4.756 4.556 -0.001 0.000 0.266 353 H C 0.206 175.702 175.328 0.282 0.000 1.135 353 H CA 0.938 57.143 56.048 0.262 0.000 1.174 353 H CB 0.926 30.809 29.762 0.202 0.000 1.581 353 H HN 0.652 nan 8.280 nan 0.000 0.553 354 T N -0.829 113.838 114.554 0.189 0.000 2.778 354 T HA 0.229 4.578 4.350 -0.001 0.000 0.293 354 T C -0.515 173.798 174.700 -0.645 0.000 1.144 354 T CA -0.730 61.198 62.100 -0.287 0.000 1.010 354 T CB 0.929 69.627 68.868 -0.284 0.000 1.325 354 T HN 0.330 nan 8.240 nan 0.000 0.515 355 W N 1.778 122.250 121.300 -1.380 0.000 3.077 355 W HA 0.533 5.192 4.660 -0.001 0.000 0.266 355 W C -0.253 175.739 176.519 -0.879 0.000 1.300 355 W CA -0.347 55.878 57.345 -1.867 0.000 1.586 355 W CB -0.133 28.245 29.460 -1.802 0.000 1.103 355 W HN 0.317 nan 8.180 nan 0.000 0.652 356 I N 2.718 122.640 120.570 -1.079 0.000 2.315 356 I HA 0.396 4.566 4.170 -0.001 0.000 0.291 356 I C 0.771 176.636 176.117 -0.421 0.000 1.006 356 I CA -1.000 59.876 61.300 -0.705 0.000 1.265 356 I CB 0.723 38.233 38.000 -0.817 0.000 1.387 356 I HN 0.038 nan 8.210 nan 0.000 0.475 357 A N 8.350 130.873 122.820 -0.495 0.000 2.386 357 A HA 0.321 4.640 4.320 -0.001 0.000 0.248 357 A C -1.653 175.375 177.584 -0.927 0.000 1.082 357 A CA -1.059 50.331 52.037 -1.080 0.000 0.789 357 A CB -0.109 18.534 19.000 -0.597 0.000 1.025 357 A HN 0.556 nan 8.150 nan 0.000 0.490 358 P HA -0.157 nan 4.420 nan 0.000 0.218 358 P C 1.468 178.511 177.300 -0.429 0.000 1.146 358 P CA 1.772 64.223 63.100 -1.083 0.000 0.813 358 P CB -0.275 30.773 31.700 -1.086 0.000 0.778 359 V N -3.756 115.953 119.914 -0.341 0.000 2.720 359 V HA -0.093 4.026 4.120 -0.001 0.000 0.256 359 V C 1.005 177.106 176.094 0.011 0.000 1.082 359 V CA 1.162 63.382 62.300 -0.133 0.000 1.101 359 V CB -1.281 30.446 31.823 -0.159 0.000 0.693 359 V HN 0.104 nan 8.190 nan 0.000 0.479 360 N N 1.904 120.587 118.700 -0.028 0.000 2.422 360 N HA 0.277 5.016 4.740 -0.001 0.000 0.266 360 N C -1.547 173.965 175.510 0.003 0.000 1.007 360 N CA -2.012 51.046 53.050 0.012 0.000 0.941 360 N CB 2.059 40.525 38.487 -0.034 0.000 1.115 360 N HN 0.145 nan 8.380 nan 0.000 0.492 361 P HA -0.105 nan 4.420 nan 0.000 0.226 361 P C 1.241 178.587 177.300 0.076 0.000 1.146 361 P CA 0.832 63.960 63.100 0.046 0.000 0.773 361 P CB 0.436 32.137 31.700 0.002 0.000 0.772 362 L N -1.906 119.309 121.223 -0.014 0.000 2.465 362 L HA 0.039 4.378 4.340 -0.001 0.000 0.224 362 L C 1.443 178.395 176.870 0.138 0.000 1.145 362 L CA -0.242 54.586 54.840 -0.020 0.000 0.834 362 L CB -0.833 40.998 42.059 -0.382 0.000 0.944 362 L HN -0.075 nan 8.230 nan 0.000 0.451 363 F N 2.327 122.221 119.950 -0.095 0.000 2.623 363 F HA -0.068 4.458 4.527 -0.001 0.000 0.386 363 F C 0.613 176.285 175.800 -0.213 0.000 1.068 363 F CA -0.109 57.761 58.000 -0.217 0.000 1.265 363 F CB 0.050 38.905 39.000 -0.241 0.000 1.026 363 F HN -0.043 nan 8.300 nan 0.000 0.568 364 N N 8.267 126.199 118.700 -1.281 0.000 2.501 364 N HA 0.334 5.073 4.740 -0.001 0.000 0.245 364 N C -2.134 172.377 175.510 -1.665 0.000 0.974 364 N CA -2.472 49.486 53.050 -1.819 0.000 0.941 364 N CB 1.400 38.933 38.487 -1.591 0.000 1.122 364 N HN 0.361 nan 8.380 nan 0.000 0.507 365 P HA 0.074 nan 4.420 nan 0.000 0.249 365 P C -0.360 176.664 177.300 -0.460 0.000 1.229 365 P CA 0.603 63.219 63.100 -0.806 0.000 0.788 365 P CB 0.315 31.800 31.700 -0.358 0.000 1.072 366 N N -0.121 118.235 118.700 -0.573 0.000 2.230 366 N HA 0.066 4.805 4.740 -0.001 0.000 0.202 366 N C 0.686 176.043 175.510 -0.255 0.000 1.119 366 N CA -0.359 52.486 53.050 -0.342 0.000 0.851 366 N CB 0.352 38.659 38.487 -0.301 0.000 0.990 366 N HN 0.047 nan 8.380 nan 0.000 0.497 367 V N -0.699 119.058 119.914 -0.262 0.000 3.237 367 V HA 0.103 4.222 4.120 -0.001 0.000 0.305 367 V C 0.695 176.727 176.094 -0.103 0.000 1.096 367 V CA -1.054 61.172 62.300 -0.123 0.000 1.130 367 V CB 0.760 32.563 31.823 -0.034 0.000 1.048 367 V HN 0.096 nan 8.190 nan 0.000 0.484 368 K N 1.886 122.249 120.400 -0.063 0.000 2.489 368 K HA 0.128 4.448 4.320 -0.001 0.000 0.278 368 K C -0.199 176.276 176.600 -0.208 0.000 1.000 368 K CA 0.272 56.464 56.287 -0.158 0.000 1.012 368 K CB 0.208 32.608 32.500 -0.167 0.000 0.903 368 K HN 0.838 nan 8.250 nan 0.000 0.485 369 K N 3.582 123.785 120.400 -0.329 0.000 2.207 369 K HA 0.222 4.541 4.320 -0.001 0.000 0.255 369 K C -1.313 175.097 176.600 -0.317 0.000 0.941 369 K CA -0.735 55.377 56.287 -0.292 0.000 0.825 369 K CB 1.311 33.549 32.500 -0.436 0.000 1.119 369 K HN 0.416 nan 8.250 nan 0.000 0.430 370 Y N 2.566 122.880 120.300 0.023 0.000 2.587 370 Y HA 0.048 4.597 4.550 -0.001 0.000 0.328 370 Y C 0.623 176.574 175.900 0.085 0.000 0.980 370 Y CA -0.923 57.129 58.100 -0.080 0.000 1.272 370 Y CB 0.710 38.957 38.460 -0.354 0.000 1.094 370 Y HN 0.535 nan 8.280 nan 0.000 0.503 371 E N 2.709 123.086 120.200 0.295 0.000 2.392 371 E HA -0.025 4.324 4.350 -0.001 0.000 0.256 371 E C -0.788 176.058 176.600 0.409 0.000 1.145 371 E CA -0.557 56.025 56.400 0.304 0.000 0.929 371 E CB 0.890 30.711 29.700 0.202 0.000 0.998 371 E HN 0.463 nan 8.360 nan 0.000 0.442 372 F N 2.078 122.138 119.950 0.184 0.000 2.502 372 F HA 0.178 4.705 4.527 -0.001 0.000 0.371 372 F C -0.499 175.367 175.800 0.110 0.000 1.083 372 F CA -0.125 57.963 58.000 0.147 0.000 1.174 372 F CB 0.176 39.244 39.000 0.114 0.000 1.096 372 F HN 0.386 nan 8.300 nan 0.000 0.545 373 D N 6.889 127.055 120.400 -0.391 0.000 2.318 373 D HA 0.097 4.736 4.640 -0.001 0.000 0.233 373 D C 0.497 176.533 176.300 -0.439 0.000 1.348 373 D CA -0.260 53.467 54.000 -0.456 0.000 0.983 373 D CB 0.610 41.239 40.800 -0.284 0.000 1.416 373 D HN 0.604 nan 8.370 nan 0.000 0.558 374 L N 2.432 123.331 121.223 -0.540 0.000 2.191 374 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 374 L C 2.290 179.032 176.870 -0.214 0.000 1.103 374 L CA 0.897 55.545 54.840 -0.321 0.000 0.769 374 L CB -0.055 41.839 42.059 -0.275 0.000 0.908 374 L HN 0.230 nan 8.230 nan 0.000 0.438 375 K N 0.317 120.589 120.400 -0.213 0.000 2.057 375 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 375 K C 2.141 178.648 176.600 -0.156 0.000 1.049 375 K CA 1.244 57.439 56.287 -0.154 0.000 0.931 375 K CB -0.059 32.360 32.500 -0.136 0.000 0.714 375 K HN 0.256 nan 8.250 nan 0.000 0.440 376 K N 0.501 120.764 120.400 -0.228 0.000 2.057 376 K HA -0.091 4.228 4.320 -0.001 0.000 0.207 376 K C 2.246 178.750 176.600 -0.160 0.000 1.049 376 K CA 1.149 57.279 56.287 -0.261 0.000 0.931 376 K CB -0.122 32.032 32.500 -0.577 0.000 0.714 376 K HN 0.122 nan 8.250 nan 0.000 0.440 377 A N 1.626 124.365 122.820 -0.135 0.000 1.877 377 A HA -0.244 4.075 4.320 -0.001 0.000 0.216 377 A C 2.081 179.628 177.584 -0.063 0.000 1.186 377 A CA 1.743 53.750 52.037 -0.049 0.000 0.620 377 A CB -0.496 18.468 19.000 -0.060 0.000 0.822 377 A HN 0.418 nan 8.150 nan 0.000 0.443 378 E N -0.130 120.021 120.200 -0.082 0.000 2.085 378 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 378 E C 2.117 178.708 176.600 -0.016 0.000 0.994 378 E CA 1.143 57.509 56.400 -0.057 0.000 0.801 378 E CB -0.272 29.391 29.700 -0.062 0.000 0.743 378 E HN 0.533 nan 8.360 nan 0.000 0.453 379 A N 0.957 123.763 122.820 -0.024 0.000 1.902 379 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 379 A C 2.210 179.814 177.584 0.034 0.000 1.181 379 A CA 1.163 53.200 52.037 0.000 0.000 0.623 379 A CB -0.658 18.330 19.000 -0.020 0.000 0.818 379 A HN 0.314 nan 8.150 nan 0.000 0.443 380 L N -0.709 120.536 121.223 0.037 0.000 2.046 380 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 380 L C 2.556 179.498 176.870 0.121 0.000 1.077 380 L CA 1.169 56.055 54.840 0.076 0.000 0.747 380 L CB -0.474 41.636 42.059 0.085 0.000 0.896 380 L HN 0.375 nan 8.230 nan 0.000 0.432 381 L N -0.769 120.522 121.223 0.114 0.000 2.093 381 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 381 L C 2.822 179.884 176.870 0.321 0.000 1.085 381 L CA 0.968 55.945 54.840 0.228 0.000 0.755 381 L CB -0.710 41.367 42.059 0.030 0.000 0.904 381 L HN 0.227 nan 8.230 nan 0.000 0.435 382 A N -0.162 122.765 122.820 0.179 0.000 1.933 382 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 382 A C 2.255 179.912 177.584 0.122 0.000 1.175 382 A CA 1.706 53.834 52.037 0.151 0.000 0.628 382 A CB -0.492 18.559 19.000 0.085 0.000 0.814 382 A HN 0.468 nan 8.150 nan 0.000 0.444 383 E N -0.735 119.529 120.200 0.107 0.000 2.265 383 E HA -0.112 4.237 4.350 -0.001 0.000 0.196 383 E C 1.350 177.995 176.600 0.074 0.000 0.996 383 E CA 0.911 57.357 56.400 0.076 0.000 0.832 383 E CB -0.138 29.603 29.700 0.069 0.000 0.756 383 E HN 0.664 nan 8.360 nan 0.000 0.491 384 M N -0.911 118.763 119.600 0.124 0.000 2.493 384 M HA 0.200 4.679 4.480 -0.001 0.000 0.244 384 M C 0.943 177.190 176.300 -0.088 0.000 1.182 384 M CA 0.551 55.891 55.300 0.068 0.000 0.981 384 M CB 1.270 33.979 32.600 0.182 0.000 1.551 384 M HN 0.292 nan 8.290 nan 0.000 0.476 385 G N -0.061 108.715 108.800 -0.041 0.000 2.175 385 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.244 385 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.244 385 G C -0.392 174.446 174.900 -0.103 0.000 0.982 385 G CA -0.531 44.498 45.100 -0.118 0.000 0.641 385 G HN 0.550 nan 8.290 nan 0.000 0.527 386 W N 1.244 122.580 121.300 0.060 0.000 2.216 386 W HA 0.703 5.362 4.660 -0.001 0.000 0.326 386 W C 1.076 177.625 176.519 0.050 0.000 1.319 386 W CA -0.316 57.074 57.345 0.076 0.000 1.213 386 W CB 0.516 30.049 29.460 0.121 0.000 1.171 386 W HN 0.052 nan 8.180 nan 0.000 0.557 387 R N 2.267 122.953 120.500 0.310 0.000 2.604 387 R HA 0.254 4.593 4.340 -0.001 0.000 0.281 387 R C -0.625 175.781 176.300 0.177 0.000 1.020 387 R CA -1.342 54.867 56.100 0.182 0.000 0.899 387 R CB 2.084 32.449 30.300 0.109 0.000 1.205 387 R HN 0.376 nan 8.270 nan 0.000 0.450 388 K N 1.057 121.528 120.400 0.119 0.000 2.451 388 K HA 0.080 4.399 4.320 -0.001 0.000 0.280 388 K C 0.672 177.324 176.600 0.087 0.000 1.020 388 K CA 0.192 56.535 56.287 0.094 0.000 1.008 388 K CB 0.691 33.223 32.500 0.053 0.000 0.917 388 K HN 0.708 nan 8.250 nan 0.000 0.478 389 G N 2.730 111.585 108.800 0.092 0.000 2.580 389 G HA2 0.120 4.079 3.960 -0.001 0.000 0.278 389 G HA3 0.120 4.079 3.960 -0.001 0.000 0.278 389 G C -1.378 173.555 174.900 0.055 0.000 1.212 389 G CA -1.102 44.045 45.100 0.077 0.000 0.939 389 G HN 0.413 nan 8.290 nan 0.000 0.513 390 P HA -0.040 nan 4.420 nan 0.000 0.231 390 P C 0.310 177.629 177.300 0.032 0.000 1.158 390 P CA 1.028 64.149 63.100 0.034 0.000 0.763 390 P CB 0.232 31.950 31.700 0.031 0.000 0.805 391 D N -1.733 118.690 120.400 0.037 0.000 2.340 391 D HA 0.141 4.781 4.640 -0.001 0.000 0.217 391 D C 1.428 177.745 176.300 0.029 0.000 1.081 391 D CA 0.170 54.190 54.000 0.033 0.000 0.842 391 D CB -0.720 40.102 40.800 0.038 0.000 0.934 391 D HN 0.199 nan 8.370 nan 0.000 0.511 392 G N 0.273 109.091 108.800 0.030 0.000 2.179 392 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.260 392 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.260 392 G C -0.063 174.849 174.900 0.020 0.000 0.977 392 G CA 0.229 45.342 45.100 0.022 0.000 0.641 392 G HN 0.347 nan 8.290 nan 0.000 0.533 393 I N 1.468 122.062 120.570 0.039 0.000 2.392 393 I HA 0.427 4.597 4.170 -0.001 0.000 0.295 393 I C 1.283 177.454 176.117 0.090 0.000 0.985 393 I CA -1.458 59.868 61.300 0.044 0.000 1.221 393 I CB 1.194 39.231 38.000 0.062 0.000 1.366 393 I HN 0.013 nan 8.210 nan 0.000 0.467 394 L N 6.198 127.467 121.223 0.077 0.000 2.514 394 L HA 0.052 4.391 4.340 -0.001 0.000 0.280 394 L C 0.390 177.523 176.870 0.438 0.000 1.223 394 L CA 0.381 55.349 54.840 0.214 0.000 0.864 394 L CB 0.022 42.121 42.059 0.067 0.000 1.118 394 L HN 0.570 nan 8.230 nan 0.000 0.494 395 Q N 3.026 123.150 119.800 0.539 0.000 2.456 395 Q HA 0.754 5.094 4.340 -0.001 0.000 0.283 395 Q C -1.176 174.987 176.000 0.271 0.000 1.084 395 Q CA -1.019 55.053 55.803 0.449 0.000 0.801 395 Q CB 3.331 32.198 28.738 0.216 0.000 1.434 395 Q HN 0.624 nan 8.270 nan 0.000 0.419 396 R N -1.241 119.240 120.500 -0.032 0.000 2.741 396 R HA 0.581 4.920 4.340 -0.001 0.000 0.276 396 R C -1.513 174.650 176.300 -0.229 0.000 1.028 396 R CA -0.764 55.163 56.100 -0.288 0.000 0.865 396 R CB 1.075 30.886 30.300 -0.815 0.000 1.268 396 R HN 0.432 nan 8.270 nan 0.000 0.475 397 T N 1.225 115.656 114.554 -0.205 0.000 2.794 397 T HA 0.546 4.895 4.350 -0.001 0.000 0.280 397 T C -0.909 173.695 174.700 -0.161 0.000 0.987 397 T CA -0.552 61.465 62.100 -0.139 0.000 0.993 397 T CB 1.458 70.272 68.868 -0.089 0.000 0.939 397 T HN 0.313 nan 8.240 nan 0.000 0.449 398 V N 4.064 123.904 119.914 -0.124 0.000 2.569 398 V HA 0.398 4.517 4.120 -0.001 0.000 0.301 398 V C 0.353 176.407 176.094 -0.067 0.000 1.044 398 V CA -1.077 61.158 62.300 -0.109 0.000 0.874 398 V CB 1.308 33.061 31.823 -0.118 0.000 1.002 398 V HN 1.100 nan 8.190 nan 0.000 0.424 399 N N 3.544 122.210 118.700 -0.056 0.000 2.735 399 N HA -0.241 4.498 4.740 -0.001 0.000 0.248 399 N C 1.122 176.612 175.510 -0.034 0.000 1.083 399 N CA 0.553 53.580 53.050 -0.039 0.000 0.703 399 N CB -0.647 37.821 38.487 -0.031 0.000 1.005 399 N HN 1.475 nan 8.380 nan 0.000 0.550 400 G N -0.548 108.228 108.800 -0.039 0.000 2.184 400 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.264 400 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.264 400 G C 0.101 174.984 174.900 -0.027 0.000 0.975 400 G CA 0.813 45.895 45.100 -0.031 0.000 0.642 400 G HN 0.510 nan 8.290 nan 0.000 0.536 401 R N 0.234 120.715 120.500 -0.031 0.000 2.532 401 R HA 0.569 4.909 4.340 -0.001 0.000 0.295 401 R C -0.306 175.978 176.300 -0.026 0.000 0.968 401 R CA -0.403 55.684 56.100 -0.022 0.000 0.916 401 R CB 1.212 31.502 30.300 -0.016 0.000 1.124 401 R HN 0.100 nan 8.270 nan 0.000 0.463 402 T N 2.951 117.500 114.554 -0.009 0.000 2.737 402 T HA 0.246 4.595 4.350 -0.001 0.000 0.296 402 T C -0.007 174.707 174.700 0.022 0.000 0.922 402 T CA -0.512 61.588 62.100 0.000 0.000 1.079 402 T CB 0.500 69.378 68.868 0.016 0.000 0.892 402 T HN 0.395 nan 8.240 nan 0.000 0.514 403 V N 2.505 122.435 119.914 0.026 0.000 2.581 403 V HA 0.731 4.850 4.120 -0.001 0.000 0.303 403 V C -0.347 175.882 176.094 0.225 0.000 1.041 403 V CA -1.324 61.028 62.300 0.087 0.000 0.907 403 V CB 1.739 33.593 31.823 0.051 0.000 0.994 403 V HN 0.727 nan 8.190 nan 0.000 0.442 404 R N 2.702 123.343 120.500 0.235 0.000 2.589 404 R HA 0.474 4.813 4.340 -0.001 0.000 0.293 404 R C -0.939 175.520 176.300 0.266 0.000 0.963 404 R CA -0.588 55.684 56.100 0.287 0.000 0.905 404 R CB 2.451 32.855 30.300 0.173 0.000 1.144 404 R HN 0.855 nan 8.270 nan 0.000 0.459 405 F N 2.457 122.435 119.950 0.046 0.000 2.661 405 F HA 0.076 4.602 4.527 -0.001 0.000 0.356 405 F C 0.250 175.989 175.800 -0.102 0.000 1.244 405 F CA 0.107 57.974 58.000 -0.221 0.000 1.290 405 F CB 0.153 38.716 39.000 -0.728 0.000 1.677 405 F HN 0.388 nan 8.300 nan 0.000 0.649 406 E N 5.389 125.711 120.200 0.204 0.000 2.129 406 E HA 0.319 4.668 4.350 -0.001 0.000 0.268 406 E C -1.280 175.415 176.600 0.158 0.000 0.900 406 E CA -0.674 55.831 56.400 0.175 0.000 0.755 406 E CB 1.364 31.136 29.700 0.120 0.000 1.117 406 E HN 0.592 nan 8.360 nan 0.000 0.410 407 I N 3.475 124.168 120.570 0.206 0.000 2.441 407 I HA 0.280 4.449 4.170 -0.001 0.000 0.295 407 I C -0.163 176.064 176.117 0.183 0.000 0.994 407 I CA -0.711 60.697 61.300 0.179 0.000 1.144 407 I CB 1.428 39.575 38.000 0.244 0.000 1.314 407 I HN 0.621 nan 8.210 nan 0.000 0.445 408 E N 6.764 127.070 120.200 0.177 0.000 2.392 408 E HA 0.017 4.366 4.350 -0.001 0.000 0.264 408 E C -1.830 174.938 176.600 0.280 0.000 1.024 408 E CA -0.089 56.436 56.400 0.208 0.000 0.903 408 E CB 0.755 30.575 29.700 0.198 0.000 0.963 408 E HN 0.622 nan 8.360 nan 0.000 0.432 409 Y N 4.626 125.001 120.300 0.125 0.000 2.402 409 Y HA 0.339 4.888 4.550 -0.001 0.000 0.325 409 Y C -1.406 174.547 175.900 0.088 0.000 1.009 409 Y CA -1.128 57.048 58.100 0.127 0.000 1.278 409 Y CB 1.100 39.633 38.460 0.123 0.000 1.105 409 Y HN 0.259 nan 8.280 nan 0.000 0.476 410 V N 5.205 125.352 119.914 0.388 0.000 2.472 410 V HA 0.596 4.715 4.120 -0.001 0.000 0.290 410 V C 0.024 176.247 176.094 0.214 0.000 1.037 410 V CA -0.168 62.204 62.300 0.121 0.000 0.908 410 V CB 1.686 33.406 31.823 -0.173 0.000 0.985 410 V HN 0.840 nan 8.190 nan 0.000 0.454 411 T N 1.497 116.081 114.554 0.052 0.000 2.711 411 T HA 0.389 4.738 4.350 -0.001 0.000 0.302 411 T C -0.508 174.160 174.700 -0.053 0.000 1.373 411 T CA -0.058 62.109 62.100 0.111 0.000 1.000 411 T CB 1.821 70.741 68.868 0.087 0.000 1.483 411 T HN 0.865 nan 8.240 nan 0.000 0.499 412 T N 1.550 116.079 114.554 -0.043 0.000 2.738 412 T HA 0.624 4.973 4.350 -0.001 0.000 0.293 412 T C 0.532 175.178 174.700 -0.089 0.000 0.913 412 T CA -0.348 61.676 62.100 -0.125 0.000 1.103 412 T CB 0.094 68.924 68.868 -0.064 0.000 0.880 412 T HN 0.876 nan 8.240 nan 0.000 0.526 413 A N 2.958 125.704 122.820 -0.124 0.000 2.498 413 A HA 0.556 4.876 4.320 -0.001 0.000 0.239 413 A C 1.665 179.214 177.584 -0.059 0.000 1.068 413 A CA 0.146 52.127 52.037 -0.092 0.000 0.766 413 A CB -0.932 18.003 19.000 -0.107 0.000 1.003 413 A HN 2.191 nan 8.150 nan 0.000 0.497 414 G N 1.168 109.943 108.800 -0.041 0.000 2.268 414 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.240 414 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.240 414 G C 0.472 175.370 174.900 -0.003 0.000 1.010 414 G CA 0.283 45.371 45.100 -0.021 0.000 0.618 414 G HN 1.027 nan 8.290 nan 0.000 0.516 415 N N 1.427 120.129 118.700 0.004 0.000 2.448 415 N HA 0.313 5.052 4.740 -0.001 0.000 0.250 415 N C 1.785 177.307 175.510 0.021 0.000 1.136 415 N CA 0.531 53.599 53.050 0.031 0.000 0.953 415 N CB 1.068 39.588 38.487 0.055 0.000 1.251 415 N HN 0.125 nan 8.380 nan 0.000 0.502 416 V N 3.975 123.895 119.914 0.011 0.000 2.332 416 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 416 V C 2.301 178.391 176.094 -0.007 0.000 1.055 416 V CA 1.332 63.625 62.300 -0.012 0.000 1.038 416 V CB -0.406 31.398 31.823 -0.031 0.000 0.651 416 V HN 0.525 nan 8.190 nan 0.000 0.450 417 V N -0.265 119.671 119.914 0.037 0.000 2.490 417 V HA -0.235 3.884 4.120 -0.001 0.000 0.250 417 V C 2.642 178.820 176.094 0.140 0.000 1.061 417 V CA 2.066 64.414 62.300 0.081 0.000 1.064 417 V CB -0.446 31.507 31.823 0.216 0.000 0.670 417 V HN 0.493 nan 8.190 nan 0.000 0.461 418 R N -0.488 120.077 120.500 0.108 0.000 2.090 418 R HA -0.090 4.249 4.340 -0.001 0.000 0.228 418 R C 2.218 178.514 176.300 -0.006 0.000 1.110 418 R CA 1.626 57.770 56.100 0.074 0.000 0.973 418 R CB -0.202 30.138 30.300 0.066 0.000 0.869 418 R HN 0.617 nan 8.270 nan 0.000 0.440 419 E N 0.200 120.388 120.200 -0.020 0.000 2.106 419 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 419 E C 2.035 178.613 176.600 -0.036 0.000 0.984 419 E CA 0.960 57.327 56.400 -0.057 0.000 0.806 419 E CB 0.044 29.714 29.700 -0.049 0.000 0.750 419 E HN 0.250 nan 8.360 nan 0.000 0.458 420 R N 0.121 120.621 120.500 0.000 0.000 2.092 420 R HA -0.052 4.287 4.340 -0.001 0.000 0.231 420 R C 2.415 178.790 176.300 0.126 0.000 1.119 420 R CA 1.512 57.641 56.100 0.049 0.000 0.970 420 R CB -0.253 30.019 30.300 -0.046 0.000 0.864 420 R HN 0.082 nan 8.270 nan 0.000 0.440 421 T N 1.115 115.709 114.554 0.068 0.000 2.708 421 T HA -0.182 4.167 4.350 -0.001 0.000 0.266 421 T C 1.759 176.340 174.700 -0.198 0.000 1.037 421 T CA 1.280 63.258 62.100 -0.203 0.000 1.146 421 T CB -0.121 68.639 68.868 -0.181 0.000 0.865 421 T HN 0.337 nan 8.240 nan 0.000 0.435 422 Q N 0.676 120.403 119.800 -0.121 0.000 2.061 422 Q HA -0.168 4.171 4.340 -0.001 0.000 0.204 422 Q C 2.602 178.619 176.000 0.030 0.000 0.984 422 Q CA 1.431 57.137 55.803 -0.161 0.000 0.846 422 Q CB -0.201 28.254 28.738 -0.472 0.000 0.902 422 Q HN 0.615 nan 8.270 nan 0.000 0.421 423 Q N -0.365 119.448 119.800 0.021 0.000 2.084 423 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 423 Q C 1.863 177.930 176.000 0.112 0.000 0.978 423 Q CA 1.242 57.083 55.803 0.063 0.000 0.844 423 Q CB -0.176 28.593 28.738 0.052 0.000 0.898 423 Q HN 0.311 nan 8.270 nan 0.000 0.426 424 F N 0.318 120.238 119.950 -0.050 0.000 2.075 424 F HA -0.220 4.306 4.527 -0.002 0.000 0.297 424 F C 1.738 177.560 175.800 0.036 0.000 1.113 424 F CA 1.562 59.514 58.000 -0.078 0.000 1.218 424 F CB -0.230 38.612 39.000 -0.263 0.000 0.984 424 F HN -0.004 nan 8.300 nan 0.000 0.472 425 F N -0.102 119.994 119.950 0.244 0.000 2.186 425 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 425 F C 2.588 178.431 175.800 0.072 0.000 1.090 425 F CA 0.334 58.422 58.000 0.147 0.000 1.307 425 F CB -0.778 38.370 39.000 0.246 0.000 1.019 425 F HN 0.090 nan 8.300 nan 0.000 0.489 426 A N 0.096 123.092 122.820 0.292 0.000 1.940 426 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 426 A C 2.005 179.636 177.584 0.078 0.000 1.176 426 A CA 1.995 54.137 52.037 0.174 0.000 0.631 426 A CB -0.837 18.249 19.000 0.143 0.000 0.814 426 A HN 0.464 nan 8.150 nan 0.000 0.446 427 E N -0.430 119.787 120.200 0.029 0.000 2.077 427 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 427 E C 1.212 177.801 176.600 -0.019 0.000 0.989 427 E CA 1.397 57.783 56.400 -0.024 0.000 0.800 427 E CB -0.061 29.583 29.700 -0.093 0.000 0.746 427 E HN 0.562 nan 8.360 nan 0.000 0.452 428 D N 0.135 120.530 120.400 -0.008 0.000 2.162 428 D HA -0.079 4.560 4.640 -0.001 0.000 0.203 428 D C 2.133 178.458 176.300 0.041 0.000 0.967 428 D CA 0.533 54.564 54.000 0.052 0.000 0.840 428 D CB -0.069 40.813 40.800 0.137 0.000 0.972 428 D HN 0.239 nan 8.370 nan 0.000 0.482 429 L N 0.895 122.136 121.223 0.031 0.000 2.079 429 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 429 L C 2.481 179.312 176.870 -0.066 0.000 1.081 429 L CA 1.104 55.922 54.840 -0.037 0.000 0.752 429 L CB -0.278 41.766 42.059 -0.026 0.000 0.896 429 L HN -0.024 nan 8.230 nan 0.000 0.433 430 K N 0.623 121.008 120.400 -0.026 0.000 2.097 430 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 430 K C 2.047 178.624 176.600 -0.038 0.000 1.049 430 K CA 1.280 57.549 56.287 -0.029 0.000 0.933 430 K CB 0.084 32.582 32.500 -0.004 0.000 0.717 430 K HN 0.225 nan 8.250 nan 0.000 0.442 431 K N 0.615 120.997 120.400 -0.029 0.000 2.152 431 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 431 K C 1.852 178.421 176.600 -0.051 0.000 1.048 431 K CA 1.654 57.924 56.287 -0.029 0.000 0.933 431 K CB -0.183 32.309 32.500 -0.014 0.000 0.721 431 K HN 0.446 nan 8.250 nan 0.000 0.447 432 I N -3.864 116.657 120.570 -0.082 0.000 3.928 432 I HA 0.320 4.489 4.170 -0.001 0.000 0.335 432 I C 0.650 176.677 176.117 -0.150 0.000 1.325 432 I CA 0.141 61.373 61.300 -0.113 0.000 1.107 432 I CB 0.488 38.402 38.000 -0.143 0.000 1.014 432 I HN 0.156 nan 8.210 nan 0.000 0.400 433 G N 2.196 110.918 108.800 -0.130 0.000 2.131 433 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.223 433 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.223 433 G C -0.091 174.676 174.900 -0.222 0.000 0.990 433 G CA -0.123 44.898 45.100 -0.133 0.000 0.671 433 G HN 0.438 nan 8.290 nan 0.000 0.521 434 I N 1.502 121.900 120.570 -0.286 0.000 2.339 434 I HA 0.600 4.770 4.170 -0.001 0.000 0.290 434 I C 0.708 176.760 176.117 -0.109 0.000 0.994 434 I CA -0.521 60.563 61.300 -0.359 0.000 1.191 434 I CB 1.636 39.271 38.000 -0.609 0.000 1.343 434 I HN 0.277 nan 8.210 nan 0.000 0.458 435 A N 6.687 129.509 122.820 0.002 0.000 2.306 435 A HA 0.734 5.053 4.320 -0.001 0.000 0.314 435 A C -0.523 177.124 177.584 0.106 0.000 1.164 435 A CA -0.430 51.641 52.037 0.057 0.000 0.822 435 A CB 1.115 20.158 19.000 0.072 0.000 1.130 435 A HN 0.462 nan 8.150 nan 0.000 0.496 436 V N 2.467 122.453 119.914 0.120 0.000 2.417 436 V HA 0.372 4.491 4.120 -0.001 0.000 0.291 436 V C 0.139 176.324 176.094 0.151 0.000 1.024 436 V CA -0.600 61.807 62.300 0.178 0.000 0.861 436 V CB 1.586 33.561 31.823 0.253 0.000 0.985 436 V HN 0.892 nan 8.190 nan 0.000 0.436 437 K N 5.688 126.185 120.400 0.162 0.000 2.334 437 K HA 0.439 4.758 4.320 -0.001 0.000 0.265 437 K C -0.556 176.121 176.600 0.127 0.000 1.039 437 K CA -0.672 55.688 56.287 0.121 0.000 0.920 437 K CB 0.604 33.170 32.500 0.109 0.000 1.160 437 K HN 0.485 nan 8.250 nan 0.000 0.451 438 I N 3.459 124.075 120.570 0.077 0.000 2.618 438 I HA 0.002 4.171 4.170 -0.001 0.000 0.284 438 I C 0.149 176.279 176.117 0.022 0.000 1.146 438 I CA 0.154 61.472 61.300 0.029 0.000 1.425 438 I CB 0.350 38.331 38.000 -0.031 0.000 1.383 438 I HN 0.660 nan 8.210 nan 0.000 0.562 439 N N 5.891 124.600 118.700 0.015 0.000 2.710 439 N HA 0.214 4.953 4.740 -0.001 0.000 0.244 439 N C -1.202 174.262 175.510 -0.076 0.000 1.321 439 N CA -0.392 52.651 53.050 -0.010 0.000 0.758 439 N CB 0.449 38.960 38.487 0.040 0.000 1.284 439 N HN 0.397 nan 8.380 nan 0.000 0.530 440 N N 0.925 119.561 118.700 -0.107 0.000 2.472 440 N HA 0.844 5.584 4.740 -0.001 0.000 0.289 440 N C -0.720 174.668 175.510 -0.203 0.000 1.156 440 N CA -0.405 52.549 53.050 -0.159 0.000 0.940 440 N CB 1.922 40.333 38.487 -0.127 0.000 1.200 440 N HN 0.532 nan 8.380 nan 0.000 0.511 441 A N 0.603 123.260 122.820 -0.272 0.000 2.599 441 A HA 0.713 5.033 4.320 -0.001 0.000 0.290 441 A C -2.932 174.478 177.584 -0.291 0.000 1.101 441 A CA -1.178 50.687 52.037 -0.287 0.000 0.674 441 A CB 0.892 19.656 19.000 -0.394 0.000 1.277 441 A HN 0.397 nan 8.150 nan 0.000 0.419 442 P HA 0.161 nan 4.420 nan 0.000 0.270 442 P C 1.067 178.184 177.300 -0.305 0.000 1.223 442 P CA 0.375 63.348 63.100 -0.212 0.000 0.785 442 P CB 0.855 32.467 31.700 -0.147 0.000 0.923 443 S N 2.171 117.718 115.700 -0.254 0.000 2.374 443 S HA -0.258 4.212 4.470 -0.001 0.000 0.227 443 S C 1.862 176.351 174.600 -0.185 0.000 1.037 443 S CA 1.789 59.807 58.200 -0.304 0.000 1.024 443 S CB -1.139 62.083 63.200 0.038 0.000 0.861 443 S HN 0.471 nan 8.310 nan 0.000 0.456 444 A N 0.061 122.818 122.820 -0.105 0.000 2.125 444 A HA 0.079 4.398 4.320 -0.001 0.000 0.219 444 A C 2.141 179.671 177.584 -0.090 0.000 1.156 444 A CA 1.569 53.573 52.037 -0.055 0.000 0.671 444 A CB -0.475 18.494 19.000 -0.051 0.000 0.794 444 A HN 0.498 nan 8.150 nan 0.000 0.459 445 V N -0.640 119.157 119.914 -0.195 0.000 2.490 445 V HA -0.102 4.017 4.120 -0.001 0.000 0.238 445 V C 2.563 178.450 176.094 -0.344 0.000 1.056 445 V CA 1.392 63.548 62.300 -0.240 0.000 1.075 445 V CB -0.229 31.413 31.823 -0.302 0.000 0.746 445 V HN 0.495 nan 8.190 nan 0.000 0.479 446 V N -2.503 117.065 119.914 -0.577 0.000 2.759 446 V HA -0.076 4.043 4.120 -0.001 0.000 0.256 446 V C 1.889 177.907 176.094 -0.126 0.000 1.080 446 V CA 1.749 63.633 62.300 -0.692 0.000 1.101 446 V CB -1.037 30.256 31.823 -0.884 0.000 0.698 446 V HN 0.484 nan 8.190 nan 0.000 0.477 447 F N 1.166 121.103 119.950 -0.022 0.000 2.727 447 F HA 0.669 5.195 4.527 -0.001 0.000 0.302 447 F C 1.531 177.349 175.800 0.031 0.000 1.097 447 F CA -0.094 57.892 58.000 -0.023 0.000 1.330 447 F CB 0.058 38.992 39.000 -0.109 0.000 1.084 447 F HN 0.215 nan 8.300 nan 0.000 0.578 448 A N 1.119 124.054 122.820 0.193 0.000 2.371 448 A HA 0.088 4.407 4.320 -0.001 0.000 0.257 448 A C 1.184 178.882 177.584 0.189 0.000 1.089 448 A CA -0.242 51.884 52.037 0.149 0.000 0.794 448 A CB 0.211 19.266 19.000 0.092 0.000 1.029 448 A HN 0.383 nan 8.150 nan 0.000 0.488 449 D N 1.429 121.913 120.400 0.140 0.000 2.149 449 D HA -0.267 4.372 4.640 -0.001 0.000 0.194 449 D C 0.992 177.371 176.300 0.130 0.000 1.001 449 D CA 2.122 56.203 54.000 0.135 0.000 0.849 449 D CB -0.557 40.289 40.800 0.077 0.000 0.939 449 D HN 0.770 nan 8.370 nan 0.000 0.449 450 E N -1.311 118.950 120.200 0.101 0.000 2.463 450 E HA -0.077 4.272 4.350 -0.001 0.000 0.201 450 E C 1.170 177.870 176.600 0.168 0.000 1.045 450 E CA 0.322 56.769 56.400 0.079 0.000 0.872 450 E CB -0.137 29.593 29.700 0.051 0.000 0.797 450 E HN 0.399 nan 8.360 nan 0.000 0.538 451 F N 0.044 120.052 119.950 0.097 0.000 2.515 451 F HA 0.165 4.691 4.527 -0.001 0.000 0.267 451 F C 1.939 177.936 175.800 0.328 0.000 0.923 451 F CA -0.104 57.983 58.000 0.146 0.000 1.107 451 F CB -0.318 38.699 39.000 0.028 0.000 1.175 451 F HN -0.186 nan 8.300 nan 0.000 0.742 452 I N 0.648 121.510 120.570 0.487 0.000 2.264 452 I HA -0.297 3.872 4.170 -0.001 0.000 0.248 452 I C 1.032 177.488 176.117 0.565 0.000 1.111 452 I CA 1.707 63.338 61.300 0.552 0.000 1.382 452 I CB -0.190 38.092 38.000 0.470 0.000 1.060 452 I HN 0.378 nan 8.210 nan 0.000 0.418 453 Q N 0.491 120.516 119.800 0.375 0.000 2.217 453 Q HA 0.163 4.502 4.340 -0.001 0.000 0.226 453 Q C 0.071 176.203 176.000 0.221 0.000 0.875 453 Q CA -0.103 55.893 55.803 0.321 0.000 0.974 453 Q CB 0.408 29.304 28.738 0.263 0.000 1.079 453 Q HN 0.265 nan 8.270 nan 0.000 0.463 454 R N -0.968 119.621 120.500 0.147 0.000 2.642 454 R HA 0.304 4.643 4.340 -0.001 0.000 0.435 454 R C 0.643 176.791 176.300 -0.255 0.000 1.046 454 R CA 0.074 56.160 56.100 -0.023 0.000 1.103 454 R CB 0.451 30.732 30.300 -0.031 0.000 1.425 454 R HN 0.137 nan 8.270 nan 0.000 0.586 455 A N 0.987 123.577 122.820 -0.382 0.000 2.019 455 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 455 A C 2.039 179.145 177.584 -0.797 0.000 1.164 455 A CA 1.949 53.492 52.037 -0.823 0.000 0.644 455 A CB -0.157 18.265 19.000 -0.964 0.000 0.805 455 A HN 0.354 nan 8.150 nan 0.000 0.449 456 S N -0.517 114.526 115.700 -1.094 0.000 2.474 456 S HA -0.066 4.403 4.470 -0.001 0.000 0.235 456 S C 1.044 175.321 174.600 -0.539 0.000 0.997 456 S CA 1.171 58.565 58.200 -1.343 0.000 0.949 456 S CB -0.114 62.379 63.200 -1.179 0.000 0.766 456 S HN 0.522 nan 8.310 nan 0.000 0.517 457 E N 0.036 120.024 120.200 -0.354 0.000 2.465 457 E HA 0.225 4.574 4.350 -0.001 0.000 0.195 457 E C 0.282 176.773 176.600 -0.181 0.000 1.028 457 E CA 0.130 56.420 56.400 -0.184 0.000 0.899 457 E CB -0.248 29.399 29.700 -0.089 0.000 1.032 457 E HN 0.624 nan 8.360 nan 0.000 0.468 458 c N 1.192 119.634 118.600 -0.263 0.000 4.432 458 c HA -0.135 4.434 4.570 -0.001 0.000 0.294 458 c C 1.781 175.757 174.090 -0.190 0.000 1.398 458 c CA 0.253 56.450 56.329 -0.220 0.000 1.988 458 c CB -2.009 40.429 42.510 -0.119 0.000 1.251 458 c HN 0.302 nan 8.230 nan 0.000 0.791 459 K N 0.517 120.766 120.400 -0.252 0.000 2.057 459 K HA -0.066 4.253 4.320 -0.001 0.000 0.207 459 K C 0.958 177.463 176.600 -0.157 0.000 1.049 459 K CA 1.782 57.958 56.287 -0.186 0.000 0.931 459 K CB 0.067 32.428 32.500 -0.231 0.000 0.714 459 K HN 0.955 nan 8.250 nan 0.000 0.440 460 W N 0.528 121.614 121.300 -0.357 0.000 2.785 460 W HA 0.348 5.007 4.660 -0.001 0.000 0.333 460 W C -0.023 176.461 176.519 -0.060 0.000 1.062 460 W CA -0.705 56.493 57.345 -0.244 0.000 1.233 460 W CB 0.175 29.383 29.460 -0.420 0.000 1.413 460 W HN -0.119 nan 8.180 nan 0.000 0.489 461 T N -1.114 113.543 114.554 0.171 0.000 3.084 461 T HA 0.431 4.780 4.350 -0.001 0.000 0.270 461 T C 0.478 175.271 174.700 0.155 0.000 1.008 461 T CA 0.560 62.703 62.100 0.071 0.000 0.900 461 T CB 0.466 69.361 68.868 0.046 0.000 1.084 461 T HN 0.650 nan 8.240 nan 0.000 0.538 462 G N 1.545 110.538 108.800 0.322 0.000 3.385 462 G HA2 0.565 4.524 3.960 -0.001 0.000 0.179 462 G HA3 0.565 4.524 3.960 -0.001 0.000 0.179 462 G C -0.826 174.308 174.900 0.389 0.000 1.433 462 G CA -0.766 44.501 45.100 0.278 0.000 1.086 462 G HN 0.370 nan 8.290 nan 0.000 0.763 463 M N 0.951 120.719 119.600 0.280 0.000 2.363 463 M HA 0.554 5.033 4.480 -0.001 0.000 0.343 463 M C -1.518 174.959 176.300 0.295 0.000 1.165 463 M CA -0.378 55.031 55.300 0.181 0.000 1.046 463 M CB 2.460 34.946 32.600 -0.190 0.000 1.648 463 M HN 0.317 nan 8.290 nan 0.000 0.452 464 F N 2.507 122.459 119.950 0.003 0.000 2.745 464 F HA 0.365 4.891 4.527 -0.001 0.000 0.343 464 F C -0.838 174.948 175.800 -0.024 0.000 1.196 464 F CA -0.687 57.266 58.000 -0.078 0.000 1.021 464 F CB 0.986 39.620 39.000 -0.611 0.000 1.297 464 F HN 0.610 nan 8.300 nan 0.000 0.486 465 E N 7.303 127.732 120.200 0.381 0.000 2.197 465 E HA 0.504 4.853 4.350 -0.001 0.000 0.281 465 E C -1.444 175.170 176.600 0.022 0.000 0.995 465 E CA -0.365 56.044 56.400 0.015 0.000 0.808 465 E CB 1.353 31.183 29.700 0.216 0.000 1.093 465 E HN 0.585 nan 8.360 nan 0.000 0.394 466 F N 1.470 121.068 119.950 -0.586 0.000 3.250 466 F HA 0.733 5.259 4.527 -0.001 0.000 0.326 466 F C -1.959 173.506 175.800 -0.560 0.000 1.154 466 F CA -1.126 56.617 58.000 -0.429 0.000 0.870 466 F CB 0.616 39.426 39.000 -0.317 0.000 1.476 466 F HN 0.372 nan 8.300 nan 0.000 0.491 467 A N -0.084 122.607 122.820 -0.215 0.000 2.386 467 A HA 0.675 4.995 4.320 -0.001 0.000 0.311 467 A C -2.235 175.355 177.584 0.009 0.000 1.068 467 A CA -0.596 51.340 52.037 -0.168 0.000 0.743 467 A CB 0.727 19.706 19.000 -0.035 0.000 1.258 467 A HN 0.748 nan 8.150 nan 0.000 0.429 468 W N 1.720 123.147 121.300 0.211 0.000 2.390 468 W HA 0.523 5.182 4.660 -0.001 0.000 0.312 468 W C -0.468 176.185 176.519 0.223 0.000 1.123 468 W CA -0.575 56.920 57.345 0.249 0.000 1.202 468 W CB 1.914 31.550 29.460 0.293 0.000 1.251 468 W HN 0.442 nan 8.180 nan 0.000 0.511 469 V N 4.015 124.192 119.914 0.438 0.000 2.347 469 V HA 0.373 4.493 4.120 -0.001 0.000 0.280 469 V C -0.025 176.296 176.094 0.378 0.000 1.021 469 V CA -0.606 61.877 62.300 0.305 0.000 0.847 469 V CB 0.942 32.866 31.823 0.169 0.000 0.990 469 V HN 0.539 nan 8.190 nan 0.000 0.444 470 S N 3.926 119.837 115.700 0.351 0.000 2.621 470 S HA 0.608 5.077 4.470 -0.001 0.000 0.302 470 S C -0.140 174.627 174.600 0.279 0.000 1.093 470 S CA -0.833 57.566 58.200 0.333 0.000 1.017 470 S CB 1.722 65.063 63.200 0.235 0.000 1.077 470 S HN 0.954 nan 8.310 nan 0.000 0.517 471 N N 0.269 118.984 118.700 0.025 0.000 2.643 471 N HA 0.376 5.115 4.740 -0.001 0.000 0.305 471 N C 0.172 175.521 175.510 -0.268 0.000 1.283 471 N CA -0.899 52.017 53.050 -0.224 0.000 0.946 471 N CB -0.163 37.870 38.487 -0.756 0.000 1.149 471 N HN 0.429 nan 8.380 nan 0.000 0.600 472 L N -1.097 119.776 121.223 -0.583 0.000 2.599 472 L HA 0.093 4.432 4.340 -0.001 0.000 0.230 472 L C 0.520 177.256 176.870 -0.222 0.000 1.141 472 L CA 0.503 55.026 54.840 -0.528 0.000 0.877 472 L CB -0.430 41.186 42.059 -0.739 0.000 1.009 472 L HN 0.421 nan 8.230 nan 0.000 0.447 473 Q N 0.974 120.523 119.800 -0.419 0.000 3.247 473 Q HA 0.049 4.388 4.340 -0.001 0.000 0.326 473 Q C -0.204 175.478 176.000 -0.529 0.000 1.402 473 Q CA -0.168 55.103 55.803 -0.886 0.000 0.994 473 Q CB 0.094 28.047 28.738 -1.309 0.000 1.647 473 Q HN 0.089 nan 8.270 nan 0.000 0.523 474 E N 1.942 122.102 120.200 -0.067 0.000 2.257 474 E HA -0.015 4.334 4.350 -0.001 0.000 0.278 474 E C -0.350 176.523 176.600 0.456 0.000 1.049 474 E CA 0.107 56.582 56.400 0.124 0.000 0.876 474 E CB 0.545 30.230 29.700 -0.025 0.000 1.035 474 E HN 0.357 nan 8.360 nan 0.000 0.419 475 D N 2.806 123.512 120.400 0.511 0.000 2.525 475 D HA 0.182 4.821 4.640 -0.001 0.000 0.231 475 D C 1.050 177.679 176.300 0.548 0.000 1.216 475 D CA 0.152 54.530 54.000 0.630 0.000 0.813 475 D CB 0.093 41.207 40.800 0.523 0.000 1.108 475 D HN 0.572 nan 8.370 nan 0.000 0.524 476 G N 1.056 110.242 108.800 0.644 0.000 2.166 476 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.260 476 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.260 476 G C 1.297 176.396 174.900 0.331 0.000 0.986 476 G CA 1.075 46.529 45.100 0.591 0.000 0.683 476 G HN 0.761 nan 8.290 nan 0.000 0.527 477 S N -0.531 115.301 115.700 0.221 0.000 2.440 477 S HA 0.047 4.516 4.470 -0.001 0.000 0.238 477 S C 2.233 176.808 174.600 -0.042 0.000 1.010 477 S CA 1.277 59.553 58.200 0.126 0.000 0.972 477 S CB -0.227 63.044 63.200 0.118 0.000 0.774 477 S HN 0.535 nan 8.310 nan 0.000 0.501 478 L N -0.969 120.097 121.223 -0.261 0.000 2.265 478 L HA 0.063 4.402 4.340 -0.001 0.000 0.215 478 L C 1.159 177.496 176.870 -0.888 0.000 1.117 478 L CA 1.216 55.645 54.840 -0.685 0.000 0.782 478 L CB -0.336 41.078 42.059 -1.074 0.000 0.914 478 L HN 0.363 nan 8.230 nan 0.000 0.441 479 F N -1.846 118.095 119.950 -0.015 0.000 2.772 479 F HA 0.229 4.755 4.527 -0.001 0.000 0.316 479 F C 0.818 176.771 175.800 0.254 0.000 1.114 479 F CA -0.537 57.513 58.000 0.082 0.000 1.191 479 F CB 0.390 39.253 39.000 -0.228 0.000 1.065 479 F HN -0.071 nan 8.300 nan 0.000 0.534 480 Q N -0.200 119.834 119.800 0.391 0.000 2.259 480 Q HA 0.100 4.440 4.340 -0.001 0.000 0.249 480 Q C 0.456 176.605 176.000 0.248 0.000 0.914 480 Q CA -0.373 55.659 55.803 0.383 0.000 0.904 480 Q CB 1.410 30.322 28.738 0.290 0.000 1.213 480 Q HN 0.370 nan 8.270 nan 0.000 0.428 481 Y N 2.428 122.785 120.300 0.096 0.000 2.262 481 Y HA 0.149 4.698 4.550 -0.001 0.000 0.295 481 Y C 0.004 175.946 175.900 0.069 0.000 1.121 481 Y CA 1.054 59.181 58.100 0.045 0.000 1.144 481 Y CB 0.747 39.185 38.460 -0.037 0.000 1.043 481 Y HN 0.401 nan 8.280 nan 0.000 0.528 482 K N 0.891 121.263 120.400 -0.047 0.000 2.523 482 K HA 0.183 4.503 4.320 -0.001 0.000 0.257 482 K C -1.642 174.982 176.600 0.039 0.000 0.932 482 K CA -0.797 55.423 56.287 -0.111 0.000 0.812 482 K CB 1.200 33.619 32.500 -0.135 0.000 1.326 482 K HN 0.088 nan 8.250 nan 0.000 0.433 483 N N 5.319 124.047 118.700 0.047 0.000 2.422 483 N HA 0.119 4.858 4.740 -0.001 0.000 0.264 483 N C 0.732 176.285 175.510 0.072 0.000 1.063 483 N CA -0.102 52.999 53.050 0.085 0.000 0.959 483 N CB 0.827 39.397 38.487 0.139 0.000 1.087 483 N HN 0.659 nan 8.380 nan 0.000 0.483 484 L N 2.722 123.980 121.223 0.058 0.000 2.376 484 L HA -0.060 4.279 4.340 -0.001 0.000 0.219 484 L C 1.415 178.320 176.870 0.060 0.000 1.133 484 L CA 0.445 55.315 54.840 0.050 0.000 0.816 484 L CB -0.261 41.817 42.059 0.031 0.000 0.933 484 L HN 0.508 nan 8.230 nan 0.000 0.449 485 N N -0.318 118.434 118.700 0.088 0.000 2.354 485 N HA -0.081 4.658 4.740 -0.001 0.000 0.179 485 N C 1.786 177.359 175.510 0.105 0.000 1.021 485 N CA 1.810 54.928 53.050 0.113 0.000 0.887 485 N CB 0.001 38.608 38.487 0.201 0.000 0.974 485 N HN 0.418 nan 8.380 nan 0.000 0.437 486 T N -4.732 109.886 114.554 0.106 0.000 2.975 486 T HA 0.354 4.703 4.350 -0.001 0.000 0.257 486 T C 1.343 176.080 174.700 0.061 0.000 1.003 486 T CA 0.519 62.667 62.100 0.079 0.000 0.932 486 T CB 0.707 69.627 68.868 0.086 0.000 1.087 486 T HN 0.197 nan 8.240 nan 0.000 0.512 487 G N 1.802 110.636 108.800 0.057 0.000 2.162 487 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.260 487 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.260 487 G C 0.311 175.221 174.900 0.017 0.000 0.976 487 G CA -0.061 45.061 45.100 0.036 0.000 0.655 487 G HN 1.270 nan 8.290 nan 0.000 0.533 488 A N 0.223 123.063 122.820 0.034 0.000 2.451 488 A HA 0.647 4.966 4.320 -0.001 0.000 0.266 488 A C 0.654 178.217 177.584 -0.036 0.000 1.119 488 A CA -0.083 51.970 52.037 0.026 0.000 0.786 488 A CB 0.199 19.246 19.000 0.078 0.000 1.061 488 A HN 0.701 nan 8.150 nan 0.000 0.503 489 I N 3.721 124.236 120.570 -0.093 0.000 2.441 489 I HA 0.066 4.235 4.170 -0.001 0.000 0.287 489 I C 0.671 176.727 176.117 -0.101 0.000 1.049 489 I CA -0.259 60.905 61.300 -0.228 0.000 1.381 489 I CB 1.210 39.039 38.000 -0.285 0.000 1.409 489 I HN 0.648 nan 8.210 nan 0.000 0.523 490 M N 6.065 125.609 119.600 -0.094 0.000 2.383 490 M HA 0.204 4.684 4.480 -0.001 0.000 0.247 490 M C -0.072 176.273 176.300 0.075 0.000 1.117 490 M CA 0.193 55.506 55.300 0.022 0.000 0.995 490 M CB -0.368 32.264 32.600 0.052 0.000 1.480 490 M HN 0.181 nan 8.290 nan 0.000 0.485 491 V N 5.033 124.993 119.914 0.077 0.000 2.364 491 V HA 0.270 4.389 4.120 -0.001 0.000 0.272 491 V C -2.044 174.171 176.094 0.201 0.000 1.036 491 V CA -1.426 60.999 62.300 0.208 0.000 0.880 491 V CB 1.138 33.137 31.823 0.294 0.000 0.991 491 V HN 0.121 nan 8.190 nan 0.000 0.460 492 P HA 0.242 nan 4.420 nan 0.000 0.276 492 P C -0.304 177.061 177.300 0.109 0.000 1.264 492 P CA 0.301 63.512 63.100 0.186 0.000 0.769 492 P CB 0.803 32.657 31.700 0.257 0.000 0.840 493 T N -0.607 113.905 114.554 -0.070 0.000 2.816 493 T HA 0.281 4.630 4.350 -0.001 0.000 0.299 493 T C 1.025 175.313 174.700 -0.686 0.000 1.230 493 T CA -0.877 61.080 62.100 -0.239 0.000 1.007 493 T CB 1.809 70.623 68.868 -0.090 0.000 1.289 493 T HN 0.220 nan 8.240 nan 0.000 0.508 494 K N 0.115 120.103 120.400 -0.688 0.000 2.103 494 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 494 K C 1.533 177.894 176.600 -0.397 0.000 1.048 494 K CA 1.881 57.720 56.287 -0.748 0.000 0.930 494 K CB -0.202 32.151 32.500 -0.245 0.000 0.716 494 K HN 0.617 nan 8.250 nan 0.000 0.444 495 E N 0.800 120.864 120.200 -0.227 0.000 2.204 495 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 495 E C 0.919 177.463 176.600 -0.094 0.000 0.990 495 E CA 1.251 57.585 56.400 -0.109 0.000 0.821 495 E CB -0.083 29.594 29.700 -0.038 0.000 0.750 495 E HN 0.503 nan 8.360 nan 0.000 0.477 496 N N -0.356 118.266 118.700 -0.129 0.000 2.282 496 N HA 0.019 4.758 4.740 -0.001 0.000 0.240 496 N C -0.921 174.549 175.510 -0.066 0.000 1.182 496 N CA 0.010 53.019 53.050 -0.068 0.000 0.874 496 N CB -0.341 38.124 38.487 -0.036 0.000 1.126 496 N HN -0.035 nan 8.380 nan 0.000 0.516 497 N N 0.160 118.771 118.700 -0.149 0.000 2.747 497 N HA -0.244 4.495 4.740 -0.001 0.000 0.249 497 N C -1.098 174.481 175.510 0.114 0.000 1.107 497 N CA 0.746 53.776 53.050 -0.032 0.000 0.707 497 N CB -2.203 36.340 38.487 0.093 0.000 1.054 497 N HN 0.406 nan 8.380 nan 0.000 0.555 498 Y N -2.724 117.616 120.300 0.066 0.000 3.389 498 Y HA -0.329 4.220 4.550 -0.001 0.000 0.213 498 Y C 0.376 176.326 175.900 0.083 0.000 1.272 498 Y CA 0.705 58.849 58.100 0.073 0.000 1.444 498 Y CB -2.174 36.329 38.460 0.072 0.000 1.445 498 Y HN 0.398 nan 8.280 nan 0.000 0.583 499 Q N 0.333 120.223 119.800 0.151 0.000 2.214 499 Q HA 0.660 4.999 4.340 -0.001 0.000 0.251 499 Q C 0.793 176.871 176.000 0.131 0.000 0.936 499 Q CA -0.245 55.637 55.803 0.132 0.000 0.894 499 Q CB 2.184 30.981 28.738 0.098 0.000 1.252 499 Q HN 0.522 nan 8.270 nan 0.000 0.448 500 G N 0.692 109.571 108.800 0.131 0.000 2.661 500 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.685 500 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.685 500 G C -0.478 174.507 174.900 0.142 0.000 1.298 500 G CA -0.680 44.493 45.100 0.121 0.000 0.855 500 G HN 0.620 nan 8.290 nan 0.000 0.560 501 Q N -0.569 119.290 119.800 0.098 0.000 2.139 501 Q HA 0.146 4.485 4.340 -0.001 0.000 0.219 501 Q C 0.784 176.843 176.000 0.097 0.000 0.805 501 Q CA -0.427 55.438 55.803 0.104 0.000 1.024 501 Q CB 0.631 29.331 28.738 -0.064 0.000 1.163 501 Q HN 0.425 nan 8.270 nan 0.000 0.485 502 N N 1.932 120.697 118.700 0.109 0.000 3.050 502 N HA 0.002 4.741 4.740 -0.001 0.000 0.289 502 N C 0.747 176.439 175.510 0.303 0.000 1.209 502 N CA -0.093 53.028 53.050 0.118 0.000 1.154 502 N CB 0.304 38.875 38.487 0.140 0.000 1.444 502 N HN 0.291 nan 8.380 nan 0.000 0.529 503 I N -0.823 120.000 120.570 0.422 0.000 2.614 503 I HA 0.137 4.306 4.170 -0.001 0.000 0.258 503 I C 1.673 178.201 176.117 0.685 0.000 1.189 503 I CA 0.947 62.613 61.300 0.610 0.000 1.462 503 I CB -0.627 37.837 38.000 0.773 0.000 1.092 503 I HN 0.245 nan 8.210 nan 0.000 0.442 504 G N -0.010 109.115 108.800 0.541 0.000 3.042 504 G HA2 0.345 4.304 3.960 -0.001 0.000 0.212 504 G HA3 0.345 4.304 3.960 -0.001 0.000 0.212 504 G C 1.296 176.163 174.900 -0.056 0.000 1.166 504 G CA 0.117 45.448 45.100 0.384 0.000 0.767 504 G HN 0.976 nan 8.290 nan 0.000 0.546 505 G N -0.975 107.752 108.800 -0.121 0.000 2.225 505 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.264 505 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.264 505 G C 0.082 174.879 174.900 -0.171 0.000 1.060 505 G CA 0.068 44.832 45.100 -0.560 0.000 0.833 505 G HN 0.435 nan 8.290 nan 0.000 0.498 506 W N 0.463 121.700 121.300 -0.105 0.000 2.251 506 W HA 0.740 5.399 4.660 -0.001 0.000 0.329 506 W C 0.523 177.032 176.519 -0.016 0.000 1.234 506 W CA -1.217 56.085 57.345 -0.072 0.000 1.228 506 W CB 0.689 30.141 29.460 -0.012 0.000 1.135 506 W HN 0.323 nan 8.180 nan 0.000 0.576 507 R N 5.305 125.451 120.500 -0.590 0.000 2.515 507 R HA 0.269 4.608 4.340 -0.001 0.000 0.291 507 R C -1.696 174.027 176.300 -0.962 0.000 1.046 507 R CA -0.474 55.248 56.100 -0.631 0.000 0.914 507 R CB 0.824 30.801 30.300 -0.539 0.000 1.191 507 R HN 0.610 nan 8.270 nan 0.000 0.435 508 N N 3.815 121.966 118.700 -0.914 0.000 2.558 508 N HA 0.074 4.813 4.740 -0.001 0.000 0.285 508 N C -0.704 174.654 175.510 -0.254 0.000 1.112 508 N CA -0.340 52.304 53.050 -0.676 0.000 0.857 508 N CB 1.644 39.534 38.487 -0.994 0.000 1.376 508 N HN 0.617 nan 8.380 nan 0.000 0.526 509 D N 1.848 122.158 120.400 -0.151 0.000 2.144 509 D HA -0.178 4.461 4.640 -0.001 0.000 0.199 509 D C 1.280 177.586 176.300 0.010 0.000 0.984 509 D CA 1.207 55.183 54.000 -0.041 0.000 0.834 509 D CB 0.417 41.191 40.800 -0.043 0.000 0.955 509 D HN 0.747 nan 8.370 nan 0.000 0.465 510 E N -0.561 119.651 120.200 0.019 0.000 2.106 510 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 510 E C 1.944 178.599 176.600 0.092 0.000 0.984 510 E CA 0.369 56.799 56.400 0.051 0.000 0.806 510 E CB -0.174 29.565 29.700 0.066 0.000 0.750 510 E HN 0.216 nan 8.360 nan 0.000 0.458 511 F N 1.855 121.803 119.950 -0.004 0.000 2.134 511 F HA -0.210 4.316 4.527 -0.001 0.000 0.299 511 F C 1.692 177.515 175.800 0.038 0.000 1.097 511 F CA 1.918 59.960 58.000 0.071 0.000 1.264 511 F CB -0.075 38.992 39.000 0.113 0.000 1.001 511 F HN 0.031 nan 8.300 nan 0.000 0.479 512 D N -0.083 120.432 120.400 0.192 0.000 2.117 512 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 512 D C 2.337 178.622 176.300 -0.026 0.000 0.987 512 D CA 1.114 55.176 54.000 0.103 0.000 0.829 512 D CB -0.440 40.443 40.800 0.137 0.000 0.961 512 D HN 0.291 nan 8.370 nan 0.000 0.460 513 R N 0.213 120.697 120.500 -0.026 0.000 2.073 513 R HA -0.052 4.287 4.340 -0.001 0.000 0.234 513 R C 2.405 178.632 176.300 -0.122 0.000 1.134 513 R CA 0.761 56.829 56.100 -0.053 0.000 0.952 513 R CB -0.282 30.001 30.300 -0.028 0.000 0.850 513 R HN 0.162 nan 8.270 nan 0.000 0.433 514 L N 0.062 121.188 121.223 -0.163 0.000 2.017 514 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 514 L C 2.706 179.340 176.870 -0.393 0.000 1.073 514 L CA 2.033 56.729 54.840 -0.240 0.000 0.745 514 L CB -0.745 41.181 42.059 -0.222 0.000 0.894 514 L HN 0.437 nan 8.230 nan 0.000 0.432 515 T N -4.571 109.684 114.554 -0.500 0.000 2.821 515 T HA -0.104 4.245 4.350 -0.001 0.000 0.267 515 T C 1.983 176.459 174.700 -0.373 0.000 1.046 515 T CA 1.290 63.036 62.100 -0.590 0.000 1.139 515 T CB -0.331 68.213 68.868 -0.540 0.000 0.871 515 T HN 0.153 nan 8.240 nan 0.000 0.454 516 S N 1.292 116.850 115.700 -0.237 0.000 2.402 516 S HA -0.098 4.372 4.470 -0.001 0.000 0.229 516 S C 2.161 176.631 174.600 -0.216 0.000 1.021 516 S CA 1.150 59.245 58.200 -0.175 0.000 0.974 516 S CB -0.383 62.773 63.200 -0.073 0.000 0.800 516 S HN 0.661 nan 8.310 nan 0.000 0.484 517 Q N 0.735 120.412 119.800 -0.206 0.000 2.096 517 Q HA 0.034 4.373 4.340 -0.001 0.000 0.197 517 Q C 2.269 178.133 176.000 -0.227 0.000 0.964 517 Q CA 0.984 56.681 55.803 -0.176 0.000 0.838 517 Q CB -0.300 28.356 28.738 -0.138 0.000 0.906 517 Q HN 0.530 nan 8.270 nan 0.000 0.444 518 A N 0.638 123.266 122.820 -0.319 0.000 1.908 518 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 518 A C 2.125 179.558 177.584 -0.252 0.000 1.181 518 A CA 1.827 53.659 52.037 -0.341 0.000 0.627 518 A CB -1.045 17.535 19.000 -0.700 0.000 0.818 518 A HN 0.448 nan 8.150 nan 0.000 0.445 519 V N -2.619 117.123 119.914 -0.287 0.000 2.913 519 V HA -0.034 4.085 4.120 -0.001 0.000 0.260 519 V C 1.871 177.717 176.094 -0.413 0.000 1.098 519 V CA 1.694 63.816 62.300 -0.297 0.000 1.121 519 V CB -0.786 30.593 31.823 -0.741 0.000 0.714 519 V HN 0.433 nan 8.190 nan 0.000 0.487 520 L N -0.106 120.927 121.223 -0.317 0.000 2.567 520 L HA 0.322 4.662 4.340 -0.001 0.000 0.225 520 L C 1.035 177.904 176.870 -0.002 0.000 1.119 520 L CA 0.132 54.915 54.840 -0.096 0.000 0.871 520 L CB -0.038 42.010 42.059 -0.020 0.000 1.036 520 L HN 0.289 nan 8.230 nan 0.000 0.459 521 E N 0.103 120.225 120.200 -0.131 0.000 2.052 521 E HA 0.064 4.413 4.350 -0.001 0.000 0.283 521 E C 0.342 176.854 176.600 -0.147 0.000 1.071 521 E CA -0.048 56.307 56.400 -0.074 0.000 0.851 521 E CB 0.340 29.964 29.700 -0.126 0.000 1.066 521 E HN 0.076 nan 8.360 nan 0.000 0.396 522 F N 1.817 121.744 119.950 -0.039 0.000 2.780 522 F HA 0.107 4.634 4.527 -0.001 0.000 0.299 522 F C 0.735 176.517 175.800 -0.031 0.000 1.146 522 F CA 0.104 58.098 58.000 -0.010 0.000 1.428 522 F CB 0.163 39.166 39.000 0.005 0.000 1.115 522 F HN 0.418 nan 8.300 nan 0.000 0.583 523 D N 0.244 120.684 120.400 0.067 0.000 2.316 523 D HA 0.139 4.778 4.640 -0.001 0.000 0.245 523 D C -1.854 174.405 176.300 -0.068 0.000 1.171 523 D CA -1.943 52.063 54.000 0.009 0.000 0.856 523 D CB 1.351 42.148 40.800 -0.005 0.000 1.090 523 D HN -0.139 nan 8.370 nan 0.000 0.476 524 P HA -0.183 nan 4.420 nan 0.000 0.216 524 P C 0.921 178.134 177.300 -0.146 0.000 1.153 524 P CA 0.907 63.937 63.100 -0.116 0.000 0.858 524 P CB 0.265 31.923 31.700 -0.070 0.000 0.789 525 E N -0.414 119.709 120.200 -0.127 0.000 2.047 525 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 525 E C 2.161 178.656 176.600 -0.175 0.000 0.987 525 E CA 1.240 57.541 56.400 -0.165 0.000 0.799 525 E CB -0.604 29.014 29.700 -0.136 0.000 0.752 525 E HN -0.178 nan 8.360 nan 0.000 0.449 526 R N 0.688 121.110 120.500 -0.129 0.000 2.096 526 R HA -0.005 4.335 4.340 -0.001 0.000 0.235 526 R C 2.367 178.591 176.300 -0.127 0.000 1.127 526 R CA 1.951 57.980 56.100 -0.117 0.000 0.968 526 R CB -0.492 29.758 30.300 -0.083 0.000 0.861 526 R HN 0.186 nan 8.270 nan 0.000 0.440 527 R N 0.354 120.770 120.500 -0.139 0.000 2.091 527 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 527 R C 2.136 178.423 176.300 -0.022 0.000 1.136 527 R CA 2.070 58.096 56.100 -0.124 0.000 0.959 527 R CB -0.266 29.878 30.300 -0.259 0.000 0.856 527 R HN 0.211 nan 8.270 nan 0.000 0.437 528 K N 0.290 120.609 120.400 -0.134 0.000 2.057 528 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 528 K C 2.090 178.534 176.600 -0.260 0.000 1.049 528 K CA 1.847 58.011 56.287 -0.204 0.000 0.931 528 K CB 0.006 32.263 32.500 -0.405 0.000 0.714 528 K HN 0.355 nan 8.250 nan 0.000 0.440 529 Q N 0.460 120.097 119.800 -0.270 0.000 2.096 529 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 529 Q C 2.273 178.261 176.000 -0.020 0.000 0.982 529 Q CA 1.683 57.374 55.803 -0.186 0.000 0.850 529 Q CB -0.165 28.481 28.738 -0.153 0.000 0.901 529 Q HN 0.342 nan 8.270 nan 0.000 0.422 530 L N -0.768 120.428 121.223 -0.046 0.000 2.056 530 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 530 L C 2.186 179.024 176.870 -0.053 0.000 1.078 530 L CA 0.968 55.760 54.840 -0.080 0.000 0.749 530 L CB -0.357 41.591 42.059 -0.186 0.000 0.901 530 L HN 0.148 nan 8.230 nan 0.000 0.433 531 F N -1.163 118.786 119.950 -0.001 0.000 2.234 531 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 531 F C 2.026 177.932 175.800 0.178 0.000 1.087 531 F CA 1.234 59.270 58.000 0.060 0.000 1.340 531 F CB -0.378 38.637 39.000 0.026 0.000 1.031 531 F HN 0.097 nan 8.300 nan 0.000 0.500 532 W N 0.495 121.836 121.300 0.068 0.000 2.381 532 W HA -0.101 4.558 4.660 -0.001 0.000 0.301 532 W C 2.369 178.907 176.519 0.033 0.000 1.205 532 W CA 0.730 58.074 57.345 -0.000 0.000 1.285 532 W CB -0.731 28.706 29.460 -0.038 0.000 1.133 532 W HN -0.197 nan 8.180 nan 0.000 0.521 533 R N 0.034 120.687 120.500 0.256 0.000 2.092 533 R HA -0.033 4.306 4.340 -0.001 0.000 0.231 533 R C 2.175 178.595 176.300 0.199 0.000 1.119 533 R CA 1.525 57.729 56.100 0.173 0.000 0.970 533 R CB -1.835 28.527 30.300 0.104 0.000 0.864 533 R HN 0.174 nan 8.270 nan 0.000 0.440 534 A N 1.418 124.346 122.820 0.180 0.000 1.933 534 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 534 A C 2.153 180.098 177.584 0.601 0.000 1.175 534 A CA 1.323 53.522 52.037 0.270 0.000 0.628 534 A CB -0.398 18.567 19.000 -0.059 0.000 0.814 534 A HN 0.380 nan 8.150 nan 0.000 0.444 535 Q N -0.732 119.329 119.800 0.436 0.000 2.167 535 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 535 Q C 1.904 178.114 176.000 0.349 0.000 0.970 535 Q CA 1.171 57.200 55.803 0.377 0.000 0.855 535 Q CB -0.088 28.610 28.738 -0.066 0.000 0.911 535 Q HN 0.624 nan 8.270 nan 0.000 0.438 536 E N 0.687 121.033 120.200 0.243 0.000 2.051 536 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 536 E C 2.020 178.783 176.600 0.272 0.000 0.991 536 E CA 0.928 57.444 56.400 0.193 0.000 0.799 536 E CB -0.090 29.690 29.700 0.134 0.000 0.748 536 E HN 0.430 nan 8.360 nan 0.000 0.449 537 I N -0.291 120.490 120.570 0.351 0.000 2.226 537 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 537 I C 2.431 178.800 176.117 0.421 0.000 1.100 537 I CA 1.025 62.552 61.300 0.378 0.000 1.374 537 I CB -0.327 37.943 38.000 0.451 0.000 1.057 537 I HN 0.193 nan 8.210 nan 0.000 0.413 538 W N 1.782 123.270 121.300 0.314 0.000 2.335 538 W HA -0.302 4.357 4.660 -0.001 0.000 0.311 538 W C 2.585 179.071 176.519 -0.055 0.000 1.213 538 W CA 2.205 59.562 57.345 0.019 0.000 1.274 538 W CB -0.104 29.443 29.460 0.145 0.000 1.148 538 W HN 0.106 nan 8.180 nan 0.000 0.498 539 A N -0.222 122.891 122.820 0.487 0.000 1.969 539 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 539 A C 1.764 179.480 177.584 0.219 0.000 1.169 539 A CA 2.025 54.289 52.037 0.379 0.000 0.635 539 A CB -0.871 18.365 19.000 0.393 0.000 0.810 539 A HN 0.406 nan 8.150 nan 0.000 0.445 540 E N 0.484 120.787 120.200 0.171 0.000 2.107 540 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 540 E C 1.746 178.386 176.600 0.066 0.000 0.982 540 E CA 1.543 58.039 56.400 0.161 0.000 0.809 540 E CB -0.156 29.629 29.700 0.141 0.000 0.756 540 E HN 0.623 nan 8.360 nan 0.000 0.459 541 E N 0.192 120.356 120.200 -0.060 0.000 2.318 541 E HA 0.059 4.409 4.350 -0.001 0.000 0.193 541 E C 0.481 176.790 176.600 -0.486 0.000 0.998 541 E CA 0.228 56.530 56.400 -0.162 0.000 0.859 541 E CB 0.138 29.867 29.700 0.048 0.000 0.812 541 E HN 0.237 nan 8.360 nan 0.000 0.492 542 L N 1.677 122.433 121.223 -0.779 0.000 3.795 542 L HA -0.181 4.158 4.340 -0.001 0.000 0.489 542 L C -1.451 174.828 176.870 -0.985 0.000 1.259 542 L CA -0.403 53.847 54.840 -0.983 0.000 0.765 542 L CB -1.062 40.601 42.059 -0.660 0.000 1.519 542 L HN 0.120 nan 8.230 nan 0.000 0.842 543 P HA -0.087 nan 4.420 nan 0.000 0.222 543 P C 0.596 177.630 177.300 -0.443 0.000 1.147 543 P CA 1.931 64.367 63.100 -1.107 0.000 0.790 543 P CB 0.348 30.949 31.700 -1.832 0.000 0.780 544 A N -0.632 121.925 122.820 -0.438 0.000 2.556 544 A HA 0.648 4.967 4.320 -0.001 0.000 0.294 544 A C -1.052 176.512 177.584 -0.032 0.000 1.091 544 A CA -0.778 51.294 52.037 0.059 0.000 0.704 544 A CB 0.916 20.277 19.000 0.602 0.000 1.300 544 A HN -0.038 nan 8.150 nan 0.000 0.406 545 L N 2.557 123.795 121.223 0.025 0.000 2.257 545 L HA 0.403 4.742 4.340 -0.001 0.000 0.290 545 L C -2.170 174.757 176.870 0.095 0.000 1.044 545 L CA -1.812 53.016 54.840 -0.021 0.000 0.810 545 L CB 1.401 43.379 42.059 -0.135 0.000 1.193 545 L HN 0.475 nan 8.230 nan 0.000 0.425 546 P HA 0.177 nan 4.420 nan 0.000 0.280 546 P C -0.039 177.271 177.300 0.018 0.000 1.244 546 P CA -0.273 63.038 63.100 0.352 0.000 0.784 546 P CB 2.088 34.201 31.700 0.689 0.000 0.913 547 L N 3.095 124.202 121.223 -0.193 0.000 2.630 547 L HA 0.248 4.587 4.340 -0.001 0.000 0.180 547 L C 0.364 177.203 176.870 -0.053 0.000 1.221 547 L CA 0.521 55.294 54.840 -0.113 0.000 0.853 547 L CB -0.198 41.753 42.059 -0.180 0.000 1.172 547 L HN 0.440 nan 8.230 nan 0.000 0.508 548 Y N -3.450 116.706 120.300 -0.239 0.000 2.656 548 Y HA 0.576 5.126 4.550 -0.001 0.000 0.334 548 Y C -1.343 174.395 175.900 -0.269 0.000 1.179 548 Y CA -1.886 56.049 58.100 -0.275 0.000 1.050 548 Y CB 0.479 38.865 38.460 -0.123 0.000 1.308 548 Y HN -0.212 nan 8.280 nan 0.000 0.456 549 F N 1.987 122.050 119.950 0.189 0.000 2.408 549 F HA 0.686 5.212 4.527 -0.001 0.000 0.344 549 F C 0.449 176.280 175.800 0.052 0.000 1.112 549 F CA -0.728 57.331 58.000 0.099 0.000 1.096 549 F CB 1.431 40.437 39.000 0.010 0.000 1.129 549 F HN 0.379 nan 8.300 nan 0.000 0.486 550 R N 1.367 122.002 120.500 0.225 0.000 2.674 550 R HA 0.887 5.227 4.340 -0.001 0.000 0.266 550 R C -0.945 175.409 176.300 0.090 0.000 1.016 550 R CA -1.155 55.002 56.100 0.095 0.000 1.062 550 R CB 1.664 32.029 30.300 0.109 0.000 1.142 550 R HN 0.713 nan 8.270 nan 0.000 0.517 551 A N 1.710 124.600 122.820 0.117 0.000 2.371 551 A HA 0.427 4.747 4.320 -0.001 0.000 0.311 551 A C -1.096 176.670 177.584 0.303 0.000 1.068 551 A CA -0.959 51.221 52.037 0.239 0.000 0.744 551 A CB 1.092 20.309 19.000 0.363 0.000 1.239 551 A HN 0.631 nan 8.150 nan 0.000 0.435 552 N N 3.392 122.202 118.700 0.184 0.000 2.472 552 N HA 0.431 5.171 4.740 -0.001 0.000 0.277 552 N C -2.748 172.648 175.510 -0.190 0.000 1.081 552 N CA -1.145 51.890 53.050 -0.024 0.000 0.973 552 N CB 1.396 39.781 38.487 -0.170 0.000 1.105 552 N HN 0.433 nan 8.380 nan 0.000 0.470 553 P HA 0.307 nan 4.420 nan 0.000 0.294 553 P C -1.317 175.632 177.300 -0.585 0.000 1.294 553 P CA -0.222 62.536 63.100 -0.570 0.000 0.827 553 P CB 0.701 32.067 31.700 -0.558 0.000 0.992 554 Y N 0.708 120.935 120.300 -0.122 0.000 2.376 554 Y HA 0.389 4.938 4.550 -0.001 0.000 0.340 554 Y C 0.143 176.068 175.900 0.040 0.000 0.965 554 Y CA -1.005 57.130 58.100 0.059 0.000 1.078 554 Y CB 2.382 40.975 38.460 0.222 0.000 1.193 554 Y HN 0.040 nan 8.280 nan 0.000 0.452 555 V N 4.845 124.856 119.914 0.162 0.000 2.357 555 V HA 0.524 4.644 4.120 -0.001 0.000 0.284 555 V C -0.732 175.485 176.094 0.205 0.000 1.018 555 V CA -0.789 61.557 62.300 0.077 0.000 0.841 555 V CB 1.368 33.107 31.823 -0.139 0.000 0.991 555 V HN 0.517 nan 8.190 nan 0.000 0.437 556 V N 4.962 125.075 119.914 0.330 0.000 2.531 556 V HA 0.479 4.598 4.120 -0.001 0.000 0.301 556 V C 0.266 176.555 176.094 0.326 0.000 1.034 556 V CA -0.890 61.585 62.300 0.292 0.000 0.865 556 V CB 1.865 33.862 31.823 0.290 0.000 0.995 556 V HN 0.878 nan 8.190 nan 0.000 0.424 557 R N 3.312 123.931 120.500 0.198 0.000 2.570 557 R HA 0.172 4.512 4.340 -0.001 0.000 0.277 557 R C 0.091 176.359 176.300 -0.053 0.000 1.039 557 R CA -0.261 55.702 56.100 -0.229 0.000 1.065 557 R CB 0.451 30.678 30.300 -0.122 0.000 0.964 557 R HN 0.635 nan 8.270 nan 0.000 0.428 558 K N 1.797 122.113 120.400 -0.141 0.000 2.448 558 K HA 0.046 4.365 4.320 -0.001 0.000 0.278 558 K C 0.878 177.541 176.600 0.105 0.000 1.009 558 K CA 1.013 57.297 56.287 -0.004 0.000 0.995 558 K CB 0.651 33.123 32.500 -0.048 0.000 0.917 558 K HN 0.933 nan 8.250 nan 0.000 0.481 559 G N 1.757 110.637 108.800 0.134 0.000 2.254 559 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.225 559 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.225 559 G C -0.394 174.628 174.900 0.204 0.000 1.003 559 G CA -0.310 44.925 45.100 0.226 0.000 0.622 559 G HN 0.464 nan 8.290 nan 0.000 0.507 560 L N 2.562 123.781 121.223 -0.007 0.000 2.281 560 L HA 0.686 5.025 4.340 -0.001 0.000 0.285 560 L C 0.601 177.360 176.870 -0.184 0.000 1.074 560 L CA -0.665 53.907 54.840 -0.447 0.000 0.817 560 L CB 1.394 43.035 42.059 -0.696 0.000 1.168 560 L HN 0.743 nan 8.230 nan 0.000 0.434 561 V N 2.386 122.200 119.914 -0.166 0.000 2.919 561 V HA 0.660 4.780 4.120 -0.001 0.000 0.316 561 V C 0.241 176.317 176.094 -0.029 0.000 1.077 561 V CA -0.712 61.563 62.300 -0.042 0.000 0.977 561 V CB 1.738 33.564 31.823 0.006 0.000 1.039 561 V HN 0.854 nan 8.190 nan 0.000 0.441 562 N N -0.541 118.171 118.700 0.020 0.000 2.909 562 N HA -0.255 4.484 4.740 -0.001 0.000 0.242 562 N C -0.394 175.001 175.510 -0.193 0.000 0.975 562 N CA 1.654 54.694 53.050 -0.017 0.000 0.921 562 N CB -1.660 36.822 38.487 -0.008 0.000 1.112 562 N HN 1.053 nan 8.380 nan 0.000 0.581 563 Y N 1.859 122.018 120.300 -0.236 0.000 2.632 563 Y HA 0.469 5.018 4.550 -0.001 0.000 0.336 563 Y C -0.236 175.506 175.900 -0.263 0.000 1.237 563 Y CA -0.297 57.638 58.100 -0.275 0.000 1.595 563 Y CB 0.327 38.656 38.460 -0.218 0.000 1.508 563 Y HN -0.102 nan 8.280 nan 0.000 0.480 564 V N 3.937 123.601 119.914 -0.416 0.000 2.735 564 V HA 0.880 4.999 4.120 -0.001 0.000 0.310 564 V C -0.420 175.499 176.094 -0.292 0.000 1.061 564 V CA -0.705 61.407 62.300 -0.315 0.000 0.913 564 V CB 1.602 33.344 31.823 -0.135 0.000 1.005 564 V HN 0.687 nan 8.190 nan 0.000 0.428 565 A N 2.841 125.447 122.820 -0.357 0.000 2.423 565 A HA 1.032 5.351 4.320 -0.001 0.000 0.304 565 A C -0.272 177.143 177.584 -0.280 0.000 1.104 565 A CA -0.089 51.777 52.037 -0.285 0.000 0.757 565 A CB 2.153 20.920 19.000 -0.388 0.000 1.313 565 A HN 1.249 nan 8.150 nan 0.000 0.423 566 S N -0.669 114.856 115.700 -0.293 0.000 2.794 566 S HA 0.695 5.164 4.470 -0.001 0.000 0.299 566 S C 1.038 175.533 174.600 -0.175 0.000 1.179 566 S CA 0.099 58.147 58.200 -0.255 0.000 0.838 566 S CB 0.948 63.838 63.200 -0.517 0.000 1.206 566 S HN 2.052 nan 8.310 nan 0.000 0.523 567 A N 0.002 122.720 122.820 -0.170 0.000 1.948 567 A HA 0.012 4.332 4.320 -0.001 0.000 0.220 567 A C 1.092 178.327 177.584 -0.581 0.000 1.177 567 A CA 1.576 53.395 52.037 -0.363 0.000 0.636 567 A CB -1.012 17.746 19.000 -0.403 0.000 0.815 567 A HN 0.887 nan 8.150 nan 0.000 0.449 568 Y N -0.261 119.978 120.300 -0.101 0.000 2.707 568 Y HA 0.202 4.751 4.550 -0.001 0.000 0.249 568 Y C 0.914 176.753 175.900 -0.101 0.000 1.166 568 Y CA -0.157 57.893 58.100 -0.083 0.000 1.184 568 Y CB 0.298 38.765 38.460 0.011 0.000 1.240 568 Y HN 0.273 nan 8.280 nan 0.000 0.547 569 S N 0.096 115.671 115.700 -0.208 0.000 2.552 569 S HA 0.304 4.774 4.470 -0.001 0.000 0.289 569 S C 1.466 175.947 174.600 -0.198 0.000 1.304 569 S CA 0.427 58.296 58.200 -0.552 0.000 1.063 569 S CB 0.929 63.560 63.200 -0.948 0.000 0.848 569 S HN 0.902 nan 8.310 nan 0.000 0.499 570 G N 2.160 110.903 108.800 -0.096 0.000 2.166 570 G HA2 0.056 4.015 3.960 -0.001 0.000 0.260 570 G HA3 0.056 4.015 3.960 -0.001 0.000 0.260 570 G C 1.270 176.289 174.900 0.198 0.000 0.986 570 G CA 0.733 46.023 45.100 0.316 0.000 0.683 570 G HN 2.367 nan 8.290 nan 0.000 0.527 571 G N -1.225 107.606 108.800 0.051 0.000 2.812 571 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.219 571 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.219 571 G C 0.895 175.574 174.900 -0.368 0.000 1.275 571 G CA 0.746 45.684 45.100 -0.269 0.000 0.769 571 G HN 1.088 nan 8.290 nan 0.000 0.527 572 Y N 1.868 121.996 120.300 -0.286 0.000 2.457 572 Y HA 0.444 4.994 4.550 -0.001 0.000 0.263 572 Y C 1.882 177.514 175.900 -0.446 0.000 1.164 572 Y CA 0.646 58.503 58.100 -0.404 0.000 1.274 572 Y CB 0.583 38.665 38.460 -0.629 0.000 1.097 572 Y HN 1.400 nan 8.280 nan 0.000 0.523 573 G N 0.863 109.513 108.800 -0.250 0.000 2.401 573 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.283 573 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.283 573 G C -0.481 174.438 174.900 0.032 0.000 1.117 573 G CA 0.122 45.137 45.100 -0.142 0.000 1.051 573 G HN 0.599 nan 8.290 nan 0.000 0.510 574 Y N -2.525 117.842 120.300 0.112 0.000 2.655 574 Y HA 0.858 5.407 4.550 -0.001 0.000 0.336 574 Y C -2.603 173.335 175.900 0.065 0.000 1.154 574 Y CA -2.731 55.456 58.100 0.145 0.000 1.055 574 Y CB 1.225 39.815 38.460 0.217 0.000 1.295 574 Y HN 0.138 nan 8.280 nan 0.000 0.465 575 P HA 0.291 nan 4.420 nan 0.000 0.276 575 P C 0.476 177.584 177.300 -0.320 0.000 1.261 575 P CA 0.821 63.716 63.100 -0.342 0.000 0.800 575 P CB 1.468 32.555 31.700 -1.022 0.000 1.066 576 G N -0.254 108.164 108.800 -0.638 0.000 2.175 576 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.244 576 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.244 576 G C 0.640 175.125 174.900 -0.692 0.000 0.982 576 G CA 0.193 44.845 45.100 -0.748 0.000 0.641 576 G HN 0.657 nan 8.290 nan 0.000 0.527 577 W N 1.277 122.345 121.300 -0.386 0.000 2.937 577 W HA 0.260 4.919 4.660 -0.002 0.000 0.245 577 W C 0.569 176.911 176.519 -0.296 0.000 1.306 577 W CA 0.840 58.070 57.345 -0.191 0.000 1.470 577 W CB -0.509 28.922 29.460 -0.048 0.000 1.132 577 W HN 0.544 nan 8.180 nan 0.000 0.675 578 N N 0.418 118.236 118.700 -1.470 0.000 2.588 578 N HA 0.239 4.978 4.740 -0.001 0.000 0.298 578 N C 0.836 175.342 175.510 -1.674 0.000 1.718 578 N CA 0.130 51.998 53.050 -1.969 0.000 0.888 578 N CB -0.234 36.926 38.487 -2.213 0.000 1.389 578 N HN -0.040 nan 8.380 nan 0.000 0.491 579 A N 0.511 122.672 122.820 -1.098 0.000 2.032 579 A HA -0.155 4.165 4.320 -0.001 0.000 0.221 579 A C 1.583 179.027 177.584 -0.234 0.000 1.165 579 A CA 1.418 53.089 52.037 -0.611 0.000 0.645 579 A CB -1.077 17.555 19.000 -0.612 0.000 0.807 579 A HN 0.720 nan 8.150 nan 0.000 0.453 580 W N 0.762 121.961 121.300 -0.168 0.000 2.699 580 W HA 0.093 4.752 4.660 -0.001 0.000 0.249 580 W C 1.065 177.454 176.519 -0.216 0.000 1.280 580 W CA 0.839 58.093 57.345 -0.152 0.000 1.345 580 W CB -0.320 29.119 29.460 -0.035 0.000 1.128 580 W HN 0.571 nan 8.180 nan 0.000 0.642 581 E N 0.641 120.489 120.200 -0.587 0.000 2.603 581 E HA 0.228 4.577 4.350 -0.001 0.000 0.211 581 E C 0.171 176.732 176.600 -0.066 0.000 0.995 581 E CA -0.339 55.776 56.400 -0.474 0.000 0.990 581 E CB -0.257 29.198 29.700 -0.410 0.000 1.036 581 E HN 0.274 nan 8.360 nan 0.000 0.475 582 I N 1.868 122.407 120.570 -0.052 0.000 2.416 582 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 582 I C 0.541 176.728 176.117 0.118 0.000 1.051 582 I CA -0.022 61.276 61.300 -0.004 0.000 1.375 582 I CB 1.292 39.257 38.000 -0.057 0.000 1.407 582 I HN 0.227 nan 8.210 nan 0.000 0.516 583 G N 5.076 113.840 108.800 -0.061 0.000 2.550 583 G HA2 0.396 4.355 3.960 -0.001 0.000 0.293 583 G HA3 0.396 4.355 3.960 -0.001 0.000 0.293 583 G C -2.323 172.317 174.900 -0.432 0.000 1.402 583 G CA -0.802 44.157 45.100 -0.235 0.000 0.784 583 G HN 0.474 nan 8.290 nan 0.000 0.482 584 W N 0.972 122.219 121.300 -0.087 0.000 2.338 584 W HA 0.490 5.150 4.660 -0.002 0.000 0.307 584 W C 1.345 177.796 176.519 -0.114 0.000 1.167 584 W CA -0.463 56.832 57.345 -0.084 0.000 1.208 584 W CB 1.480 30.895 29.460 -0.075 0.000 1.228 584 W HN 0.706 nan 8.180 nan 0.000 0.499 585 E N 1.153 121.430 120.200 0.129 0.000 2.160 585 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 585 E C 2.067 178.693 176.600 0.043 0.000 0.991 585 E CA 1.735 58.163 56.400 0.046 0.000 0.810 585 E CB -0.073 29.657 29.700 0.050 0.000 0.742 585 E HN 0.503 nan 8.360 nan 0.000 0.466 586 S N 0.416 116.164 115.700 0.080 0.000 2.507 586 S HA -0.005 4.465 4.470 -0.001 0.000 0.235 586 S C 1.715 176.324 174.600 0.016 0.000 0.988 586 S CA 0.358 58.576 58.200 0.030 0.000 0.944 586 S CB 0.094 63.296 63.200 0.003 0.000 0.762 586 S HN 0.085 nan 8.310 nan 0.000 0.526 587 R N 0.435 120.956 120.500 0.035 0.000 2.312 587 R HA 0.249 4.588 4.340 -0.001 0.000 0.205 587 R C 1.539 177.807 176.300 -0.052 0.000 0.904 587 R CA 0.698 56.801 56.100 0.005 0.000 1.052 587 R CB 0.029 30.358 30.300 0.049 0.000 1.014 587 R HN 0.640 nan 8.270 nan 0.000 0.503 588 G N 0.124 108.884 108.800 -0.067 0.000 2.184 588 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.206 588 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.206 588 G C 0.255 175.046 174.900 -0.182 0.000 0.995 588 G CA -0.024 45.024 45.100 -0.086 0.000 0.651 588 G HN 0.483 nan 8.290 nan 0.000 0.511 589 A N 0.256 122.879 122.820 -0.328 0.000 2.546 589 A HA 0.534 4.854 4.320 -0.001 0.000 0.243 589 A C 0.689 178.197 177.584 -0.127 0.000 1.063 589 A CA 0.745 52.450 52.037 -0.553 0.000 0.757 589 A CB 0.551 19.232 19.000 -0.532 0.000 0.991 589 A HN 1.191 nan 8.150 nan 0.000 0.503 590 V N 4.587 124.542 119.914 0.067 0.000 2.385 590 V HA 0.157 4.276 4.120 -0.001 0.000 0.269 590 V C 0.751 176.907 176.094 0.103 0.000 1.043 590 V CA -0.521 61.839 62.300 0.100 0.000 0.906 590 V CB 0.997 32.899 31.823 0.131 0.000 0.995 590 V HN 0.935 nan 8.190 nan 0.000 0.467 591 K N 4.681 125.110 120.400 0.049 0.000 2.416 591 K HA 0.141 4.460 4.320 -0.001 0.000 0.283 591 K C 0.545 177.138 176.600 -0.012 0.000 1.037 591 K CA -0.026 56.284 56.287 0.038 0.000 0.995 591 K CB 0.388 32.904 32.500 0.027 0.000 0.938 591 K HN 0.509 nan 8.250 nan 0.000 0.475 592 K N 3.227 123.603 120.400 -0.039 0.000 2.464 592 K HA 0.102 4.421 4.320 -0.001 0.000 0.206 592 K C -0.737 175.518 176.600 -0.576 0.000 1.186 592 K CA 0.306 56.418 56.287 -0.292 0.000 0.990 592 K CB 0.552 32.863 32.500 -0.316 0.000 1.003 592 K HN 0.507 nan 8.250 nan 0.000 0.562 593 W N 0.758 122.056 121.300 -0.003 0.000 2.950 593 W HA 0.364 5.023 4.660 -0.002 0.000 0.340 593 W C -0.940 175.589 176.519 0.016 0.000 1.139 593 W CA -0.700 56.668 57.345 0.039 0.000 1.188 593 W CB 1.240 30.731 29.460 0.052 0.000 1.426 593 W HN -0.170 nan 8.180 nan 0.000 0.531 594 D N 0.632 121.187 120.400 0.259 0.000 2.757 594 D HA 0.135 4.774 4.640 -0.001 0.000 0.249 594 D C 0.699 176.995 176.300 -0.007 0.000 1.168 594 D CA -0.426 53.614 54.000 0.066 0.000 0.870 594 D CB 2.032 42.830 40.800 -0.003 0.000 1.411 594 D HN 0.309 nan 8.370 nan 0.000 0.525 595 Q N 3.419 123.060 119.800 -0.264 0.000 2.170 595 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 595 Q C 1.679 177.316 176.000 -0.605 0.000 0.976 595 Q CA 2.049 57.526 55.803 -0.545 0.000 0.858 595 Q CB -0.265 27.670 28.738 -1.339 0.000 0.907 595 Q HN 0.613 nan 8.270 nan 0.000 0.433 596 A N 1.701 124.169 122.820 -0.588 0.000 1.881 596 A HA -0.342 3.977 4.320 -0.001 0.000 0.219 596 A C 1.942 179.447 177.584 -0.132 0.000 1.215 596 A CA 2.641 54.578 52.037 -0.168 0.000 0.648 596 A CB -0.975 18.065 19.000 0.065 0.000 0.832 596 A HN 0.634 nan 8.150 nan 0.000 0.455 597 K N -1.928 118.286 120.400 -0.310 0.000 2.360 597 K HA -0.138 4.181 4.320 -0.001 0.000 0.201 597 K C 1.038 177.380 176.600 -0.429 0.000 1.046 597 K CA 1.706 57.749 56.287 -0.406 0.000 0.945 597 K CB -0.387 31.768 32.500 -0.574 0.000 0.750 597 K HN 0.589 nan 8.250 nan 0.000 0.464 598 Y N 0.645 120.923 120.300 -0.037 0.000 2.444 598 Y HA 0.405 4.955 4.550 -0.001 0.000 0.249 598 Y C 1.012 176.920 175.900 0.015 0.000 1.134 598 Y CA -0.454 57.627 58.100 -0.032 0.000 1.261 598 Y CB 0.438 38.851 38.460 -0.079 0.000 1.143 598 Y HN 0.145 nan 8.280 nan 0.000 0.523 599 A N 0.233 123.146 122.820 0.154 0.000 2.288 599 A HA 0.648 4.967 4.320 -0.001 0.000 0.328 599 A C -0.354 177.379 177.584 0.248 0.000 1.123 599 A CA -0.740 51.447 52.037 0.251 0.000 0.861 599 A CB 0.527 19.752 19.000 0.376 0.000 1.272 599 A HN 0.193 nan 8.150 nan 0.000 0.490 600 L N 1.052 122.453 121.223 0.297 0.000 2.483 600 L HA 0.115 4.454 4.340 -0.001 0.000 0.275 600 L C 0.954 177.962 176.870 0.231 0.000 1.220 600 L CA -0.207 54.773 54.840 0.233 0.000 0.833 600 L CB 0.447 42.650 42.059 0.240 0.000 1.102 600 L HN 0.764 nan 8.230 nan 0.000 0.490 601 S N 1.038 116.831 115.700 0.155 0.000 2.554 601 S HA 0.113 4.582 4.470 -0.001 0.000 0.290 601 S C 0.344 175.030 174.600 0.143 0.000 1.309 601 S CA 0.428 58.708 58.200 0.134 0.000 1.047 601 S CB 0.140 63.391 63.200 0.086 0.000 0.828 601 S HN 0.985 nan 8.310 nan 0.000 0.509 602 T N 0.000 114.633 114.554 0.132 0.000 3.816 602 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 602 T CA 0.000 62.155 62.100 0.092 0.000 1.349 602 T CB 0.000 68.898 68.868 0.050 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658