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 2v7g_1_A DATA FIRST_RESID 5 DATA SEQUENCE NKYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPIGWTWEQY RDRAQTIPAA VVKAAKASMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE RETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM DATA SEQUENCE ITG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.693 175.510 0.306 0.000 1.280 5 N CA 0.000 53.164 53.050 0.190 0.000 0.885 5 N CB 0.000 38.593 38.487 0.176 0.000 1.341 6 K N 0.517 121.102 120.400 0.309 0.000 2.355 6 K HA 0.122 4.443 4.320 0.002 0.000 0.198 6 K C -0.682 176.251 176.600 0.556 0.000 1.039 6 K CA -0.000 56.496 56.287 0.349 0.000 1.075 6 K CB 0.658 33.277 32.500 0.198 0.000 0.870 6 K HN 0.470 nan 8.250 nan 0.000 0.540 7 Y N 1.408 121.911 120.300 0.339 0.000 2.352 7 Y HA 0.396 4.947 4.550 0.002 0.000 0.339 7 Y C -1.017 174.839 175.900 -0.073 0.000 0.992 7 Y CA -1.040 57.190 58.100 0.217 0.000 1.100 7 Y CB 1.082 39.604 38.460 0.103 0.000 1.192 7 Y HN -0.246 nan 8.280 nan 0.000 0.458 8 R N 4.645 124.508 120.500 -1.062 0.000 2.533 8 R HA 0.182 4.523 4.340 0.002 0.000 0.288 8 R C -1.728 173.839 176.300 -1.222 0.000 1.039 8 R CA -0.705 54.620 56.100 -1.292 0.000 0.909 8 R CB 1.066 30.180 30.300 -1.978 0.000 1.195 8 R HN 0.759 nan 8.270 nan 0.000 0.438 9 D N 4.543 124.404 120.400 -0.899 0.000 2.551 9 D HA 0.175 4.817 4.640 0.002 0.000 0.223 9 D C -0.595 175.483 176.300 -0.370 0.000 1.144 9 D CA 0.039 53.731 54.000 -0.513 0.000 1.025 9 D CB 0.182 40.873 40.800 -0.181 0.000 1.085 9 D HN 0.305 nan 8.370 nan 0.000 0.506 10 V N -0.580 119.094 119.914 -0.400 0.000 3.114 10 V HA 0.630 4.751 4.120 0.002 0.000 0.308 10 V C -0.447 175.540 176.094 -0.179 0.000 1.168 10 V CA -1.115 61.012 62.300 -0.288 0.000 1.015 10 V CB 2.111 33.708 31.823 -0.377 0.000 1.050 10 V HN 0.113 nan 8.190 nan 0.000 0.433 11 E N 1.975 122.112 120.200 -0.105 0.000 2.158 11 E HA 0.652 5.004 4.350 0.002 0.000 0.271 11 E C -1.232 175.356 176.600 -0.019 0.000 0.911 11 E CA -0.555 55.819 56.400 -0.044 0.000 0.767 11 E CB 2.412 32.096 29.700 -0.026 0.000 1.120 11 E HN 0.635 nan 8.360 nan 0.000 0.405 12 I N 3.351 123.929 120.570 0.014 0.000 2.404 12 I HA 0.447 4.618 4.170 0.002 0.000 0.293 12 I C -0.070 176.081 176.117 0.058 0.000 0.992 12 I CA -0.625 60.700 61.300 0.042 0.000 1.149 12 I CB 1.297 39.326 38.000 0.048 0.000 1.315 12 I HN 0.325 nan 8.210 nan 0.000 0.446 13 R N 3.895 124.430 120.500 0.059 0.000 2.651 13 R HA 0.626 4.968 4.340 0.002 0.000 0.278 13 R C -0.825 175.509 176.300 0.056 0.000 1.010 13 R CA -0.888 55.247 56.100 0.059 0.000 0.896 13 R CB 2.299 32.627 30.300 0.047 0.000 1.211 13 R HN 0.723 nan 8.270 nan 0.000 0.456 14 A N 3.789 126.644 122.820 0.058 0.000 2.511 14 A HA 0.288 4.609 4.320 0.002 0.000 0.242 14 A C -2.050 175.558 177.584 0.040 0.000 1.069 14 A CA -0.811 51.255 52.037 0.049 0.000 0.763 14 A CB -0.387 18.650 19.000 0.062 0.000 1.001 14 A HN 0.341 nan 8.150 nan 0.000 0.498 15 P HA 0.182 nan 4.420 nan 0.000 0.268 15 P C -0.216 177.111 177.300 0.046 0.000 1.208 15 P CA 0.144 63.258 63.100 0.023 0.000 0.777 15 P CB 0.432 32.131 31.700 -0.002 0.000 0.875 16 R N 1.121 121.647 120.500 0.044 0.000 2.902 16 R HA 0.747 5.088 4.340 0.002 0.000 0.258 16 R C 0.654 177.001 176.300 0.079 0.000 1.071 16 R CA -0.177 55.958 56.100 0.058 0.000 1.024 16 R CB 0.826 31.146 30.300 0.034 0.000 1.184 16 R HN 0.803 nan 8.270 nan 0.000 0.492 17 G N 1.055 109.913 108.800 0.096 0.000 2.642 17 G HA2 -0.297 3.664 3.960 0.002 0.000 0.231 17 G HA3 -0.297 3.664 3.960 0.002 0.000 0.231 17 G C 0.158 175.190 174.900 0.221 0.000 1.338 17 G CA 0.055 45.223 45.100 0.113 0.000 0.883 17 G HN 0.614 nan 8.290 nan 0.000 0.570 18 N N 0.371 119.195 118.700 0.206 0.000 2.325 18 N HA 0.024 4.765 4.740 0.002 0.000 0.182 18 N C 0.548 176.172 175.510 0.191 0.000 1.088 18 N CA 0.259 53.513 53.050 0.339 0.000 0.879 18 N CB 0.359 39.002 38.487 0.260 0.000 0.983 18 N HN 0.455 nan 8.380 nan 0.000 0.471 19 K N 1.528 121.967 120.400 0.065 0.000 2.412 19 K HA 0.206 4.527 4.320 0.002 0.000 0.281 19 K C -0.064 176.444 176.600 -0.152 0.000 1.027 19 K CA 0.177 56.446 56.287 -0.030 0.000 0.989 19 K CB 1.050 33.539 32.500 -0.019 0.000 0.935 19 K HN -0.012 nan 8.250 nan 0.000 0.475 20 L N 2.305 123.386 121.223 -0.236 0.000 2.334 20 L HA 0.170 4.512 4.340 0.002 0.000 0.277 20 L C 1.250 177.990 176.870 -0.216 0.000 1.075 20 L CA -0.334 54.292 54.840 -0.357 0.000 0.804 20 L CB 1.569 43.353 42.059 -0.460 0.000 1.174 20 L HN 0.748 nan 8.230 nan 0.000 0.438 21 T N 0.596 115.027 114.554 -0.206 0.000 3.004 21 T HA 0.147 4.498 4.350 0.002 0.000 0.243 21 T C 0.832 175.446 174.700 -0.144 0.000 1.020 21 T CA 0.445 62.460 62.100 -0.142 0.000 1.145 21 T CB 0.290 69.088 68.868 -0.117 0.000 0.876 21 T HN 0.676 nan 8.240 nan 0.000 0.449 22 A N 1.277 123.994 122.820 -0.172 0.000 2.292 22 A HA 0.351 4.672 4.320 0.002 0.000 0.265 22 A C 1.198 178.691 177.584 -0.152 0.000 1.133 22 A CA -0.106 51.843 52.037 -0.146 0.000 0.807 22 A CB 0.333 19.250 19.000 -0.139 0.000 1.102 22 A HN 0.307 nan 8.150 nan 0.000 0.502 23 K N -0.596 119.739 120.400 -0.108 0.000 2.305 23 K HA 0.055 4.377 4.320 0.002 0.000 0.199 23 K C 0.414 176.960 176.600 -0.091 0.000 1.047 23 K CA 1.121 57.356 56.287 -0.086 0.000 0.976 23 K CB -0.017 32.454 32.500 -0.048 0.000 0.765 23 K HN 0.760 nan 8.250 nan 0.000 0.474 24 S N -2.490 113.149 115.700 -0.101 0.000 2.656 24 S HA 0.177 4.649 4.470 0.002 0.000 0.273 24 S C -0.323 174.219 174.600 -0.096 0.000 1.168 24 S CA -1.039 57.119 58.200 -0.070 0.000 0.817 24 S CB 0.002 63.227 63.200 0.041 0.000 1.146 24 S HN 0.253 nan 8.310 nan 0.000 0.475 25 W N 0.401 121.729 121.300 0.047 0.000 2.425 25 W HA 0.154 4.815 4.660 0.002 0.000 0.277 25 W C 1.926 178.500 176.519 0.092 0.000 1.231 25 W CA 0.412 57.794 57.345 0.062 0.000 1.248 25 W CB -0.250 29.247 29.460 0.061 0.000 1.117 25 W HN 0.519 nan 8.180 nan 0.000 0.568 26 L N -0.265 121.126 121.223 0.280 0.000 2.201 26 L HA -0.147 4.194 4.340 0.002 0.000 0.212 26 L C 2.420 179.411 176.870 0.201 0.000 1.105 26 L CA 1.794 56.780 54.840 0.244 0.000 0.775 26 L CB -1.188 40.982 42.059 0.186 0.000 0.913 26 L HN 0.100 nan 8.230 nan 0.000 0.440 27 T N -4.795 109.825 114.554 0.110 0.000 3.040 27 T HA -0.042 4.309 4.350 0.002 0.000 0.252 27 T C 1.601 176.292 174.700 -0.015 0.000 1.064 27 T CA 0.304 62.426 62.100 0.037 0.000 1.110 27 T CB 0.184 69.050 68.868 -0.003 0.000 0.921 27 T HN 0.044 nan 8.240 nan 0.000 0.480 28 E N 2.312 122.497 120.200 -0.025 0.000 2.110 28 E HA 0.047 4.398 4.350 0.002 0.000 0.193 28 E C 2.247 178.883 176.600 0.060 0.000 0.988 28 E CA 1.358 57.715 56.400 -0.072 0.000 0.804 28 E CB -0.746 28.786 29.700 -0.279 0.000 0.745 28 E HN 0.589 nan 8.360 nan 0.000 0.458 29 A N 1.296 124.243 122.820 0.212 0.000 1.851 29 A HA -0.099 4.222 4.320 0.002 0.000 0.216 29 A C -0.198 177.448 177.584 0.105 0.000 1.195 29 A CA 1.825 54.053 52.037 0.318 0.000 0.622 29 A CB -1.802 17.512 19.000 0.523 0.000 0.831 29 A HN 0.382 nan 8.150 nan 0.000 0.444 30 P HA -0.123 nan 4.420 nan 0.000 0.218 30 P C 1.638 178.672 177.300 -0.443 0.000 1.149 30 P CA 0.905 63.544 63.100 -0.768 0.000 0.817 30 P CB -0.155 31.072 31.700 -0.789 0.000 0.785 31 L N 0.427 121.477 121.223 -0.288 0.000 1.994 31 L HA -0.109 4.233 4.340 0.002 0.000 0.208 31 L C 2.669 179.421 176.870 -0.195 0.000 1.071 31 L CA 1.891 56.563 54.840 -0.280 0.000 0.745 31 L CB -1.098 40.845 42.059 -0.193 0.000 0.892 31 L HN -0.211 nan 8.230 nan 0.000 0.431 32 R N -1.491 118.965 120.500 -0.073 0.000 2.081 32 R HA -0.126 4.216 4.340 0.002 0.000 0.235 32 R C 2.047 178.367 176.300 0.034 0.000 1.131 32 R CA 1.577 57.683 56.100 0.010 0.000 0.960 32 R CB -0.366 29.991 30.300 0.094 0.000 0.856 32 R HN 0.365 nan 8.270 nan 0.000 0.436 33 M N 0.270 119.907 119.600 0.062 0.000 2.254 33 M HA -0.067 4.414 4.480 0.002 0.000 0.265 33 M C 2.236 178.582 176.300 0.077 0.000 1.066 33 M CA 0.960 56.366 55.300 0.177 0.000 1.123 33 M CB -0.939 31.923 32.600 0.437 0.000 1.388 33 M HN 0.129 nan 8.290 nan 0.000 0.425 34 L N 0.942 122.016 121.223 -0.248 0.000 2.012 34 L HA -0.148 4.193 4.340 0.002 0.000 0.210 34 L C 2.233 178.995 176.870 -0.179 0.000 1.073 34 L CA 1.933 56.420 54.840 -0.589 0.000 0.748 34 L CB -0.617 40.683 42.059 -1.265 0.000 0.891 34 L HN 0.220 nan 8.230 nan 0.000 0.431 35 M N -0.666 118.883 119.600 -0.084 0.000 2.175 35 M HA -0.178 4.303 4.480 0.002 0.000 0.264 35 M C 2.074 178.418 176.300 0.074 0.000 1.063 35 M CA 1.885 57.215 55.300 0.049 0.000 1.119 35 M CB -0.640 31.993 32.600 0.055 0.000 1.377 35 M HN 0.424 nan 8.290 nan 0.000 0.415 36 N N 0.868 119.618 118.700 0.083 0.000 2.166 36 N HA -0.155 4.586 4.740 0.002 0.000 0.186 36 N C 1.236 176.851 175.510 0.176 0.000 1.019 36 N CA 1.342 54.468 53.050 0.126 0.000 0.856 36 N CB -0.137 38.431 38.487 0.136 0.000 0.993 36 N HN 0.174 nan 8.380 nan 0.000 0.426 37 N N -0.317 118.499 118.700 0.193 0.000 2.348 37 N HA -0.044 4.697 4.740 0.002 0.000 0.185 37 N C 0.672 176.294 175.510 0.188 0.000 1.019 37 N CA 0.755 53.956 53.050 0.251 0.000 0.880 37 N CB -0.009 38.640 38.487 0.270 0.000 0.965 37 N HN 0.365 nan 8.380 nan 0.000 0.437 38 L N -0.682 120.618 121.223 0.128 0.000 2.728 38 L HA 0.174 4.515 4.340 0.002 0.000 0.238 38 L C 0.307 177.248 176.870 0.119 0.000 1.143 38 L CA -0.260 54.639 54.840 0.099 0.000 0.937 38 L CB 0.110 42.183 42.059 0.022 0.000 1.225 38 L HN 0.035 nan 8.230 nan 0.000 0.507 39 D N 1.807 122.291 120.400 0.141 0.000 2.458 39 D HA -0.002 4.639 4.640 0.002 0.000 0.243 39 D C -1.608 174.785 176.300 0.155 0.000 1.146 39 D CA -1.218 52.862 54.000 0.133 0.000 0.877 39 D CB 1.836 42.719 40.800 0.139 0.000 1.176 39 D HN -0.069 nan 8.370 nan 0.000 0.461 40 P HA -0.114 nan 4.420 nan 0.000 0.222 40 P C 0.962 178.349 177.300 0.144 0.000 1.147 40 P CA 0.939 64.096 63.100 0.095 0.000 0.790 40 P CB 0.172 31.890 31.700 0.031 0.000 0.780 41 Q N -0.818 119.098 119.800 0.194 0.000 2.424 41 Q HA 0.012 4.353 4.340 0.002 0.000 0.204 41 Q C 1.258 177.505 176.000 0.411 0.000 0.933 41 Q CA 0.601 56.578 55.803 0.290 0.000 0.929 41 Q CB 0.161 29.020 28.738 0.201 0.000 1.037 41 Q HN 0.081 nan 8.270 nan 0.000 0.511 42 V N -0.336 119.794 119.914 0.360 0.000 2.743 42 V HA 0.288 4.409 4.120 0.002 0.000 0.237 42 V C 0.714 177.065 176.094 0.427 0.000 1.113 42 V CA 0.701 63.201 62.300 0.334 0.000 1.141 42 V CB 0.458 32.456 31.823 0.290 0.000 0.873 42 V HN 0.277 nan 8.190 nan 0.000 0.486 43 A N 0.074 123.127 122.820 0.388 0.000 2.293 43 A HA 0.433 4.755 4.320 0.002 0.000 0.302 43 A C 1.051 178.869 177.584 0.389 0.000 1.119 43 A CA -0.267 51.955 52.037 0.308 0.000 0.823 43 A CB 0.581 19.701 19.000 0.201 0.000 1.097 43 A HN 0.273 nan 8.150 nan 0.000 0.491 44 E N 0.534 120.910 120.200 0.294 0.000 2.072 44 E HA -0.106 4.245 4.350 0.002 0.000 0.191 44 E C 0.049 176.807 176.600 0.263 0.000 0.985 44 E CA 1.334 57.935 56.400 0.335 0.000 0.801 44 E CB 0.088 29.919 29.700 0.218 0.000 0.750 44 E HN 0.634 nan 8.360 nan 0.000 0.452 45 N N -0.726 118.091 118.700 0.195 0.000 2.700 45 N HA 0.078 4.820 4.740 0.002 0.000 0.242 45 N C -2.383 173.224 175.510 0.162 0.000 1.541 45 N CA -1.055 52.098 53.050 0.171 0.000 0.764 45 N CB 0.868 39.459 38.487 0.173 0.000 1.319 45 N HN -0.181 nan 8.380 nan 0.000 0.518 46 P HA -0.076 nan 4.420 nan 0.000 0.223 46 P C 0.733 178.170 177.300 0.229 0.000 1.151 46 P CA 0.798 63.986 63.100 0.147 0.000 0.787 46 P CB 0.528 32.307 31.700 0.132 0.000 0.788 47 K N 0.278 120.798 120.400 0.199 0.000 2.280 47 K HA -0.089 4.232 4.320 0.002 0.000 0.202 47 K C 1.417 178.229 176.600 0.353 0.000 1.047 47 K CA 1.013 57.397 56.287 0.163 0.000 0.942 47 K CB -0.090 32.412 32.500 0.003 0.000 0.739 47 K HN 0.321 nan 8.250 nan 0.000 0.457 48 E N 0.379 120.782 120.200 0.339 0.000 2.451 48 E HA 0.130 4.481 4.350 0.002 0.000 0.194 48 E C -0.095 176.595 176.600 0.150 0.000 1.027 48 E CA -0.064 56.533 56.400 0.327 0.000 0.914 48 E CB 0.210 30.080 29.700 0.283 0.000 1.054 48 E HN 0.134 nan 8.360 nan 0.000 0.461 49 L N -0.470 120.789 121.223 0.060 0.000 4.884 49 L HA -0.220 4.122 4.340 0.002 0.000 0.430 49 L C -0.114 176.736 176.870 -0.034 0.000 1.087 49 L CA 0.092 54.839 54.840 -0.156 0.000 1.033 49 L CB -1.488 40.333 42.059 -0.397 0.000 2.030 49 L HN 0.032 nan 8.230 nan 0.000 0.762 50 V N 0.425 120.368 119.914 0.048 0.000 2.461 50 V HA 0.145 4.267 4.120 0.002 0.000 0.275 50 V C 1.241 177.362 176.094 0.044 0.000 1.047 50 V CA 0.269 62.601 62.300 0.053 0.000 0.955 50 V CB 1.639 33.521 31.823 0.098 0.000 0.988 50 V HN 0.105 nan 8.190 nan 0.000 0.471 51 V N 5.006 124.908 119.914 -0.020 0.000 2.521 51 V HA 0.183 4.304 4.120 0.002 0.000 0.239 51 V C 0.246 176.288 176.094 -0.087 0.000 1.053 51 V CA 1.131 63.386 62.300 -0.074 0.000 1.073 51 V CB -0.245 31.503 31.823 -0.124 0.000 0.746 51 V HN 0.939 nan 8.190 nan 0.000 0.476 52 Y N -2.759 117.393 120.300 -0.247 0.000 2.818 52 Y HA 0.627 5.179 4.550 0.002 0.000 0.341 52 Y C 0.237 176.135 175.900 -0.003 0.000 1.283 52 Y CA -0.749 57.262 58.100 -0.148 0.000 1.075 52 Y CB 0.810 39.099 38.460 -0.285 0.000 1.370 52 Y HN 0.339 nan 8.280 nan 0.000 0.448 53 G N 1.145 110.029 108.800 0.140 0.000 2.359 53 G HA2 0.295 4.257 3.960 0.002 0.000 0.298 53 G HA3 0.295 4.257 3.960 0.002 0.000 0.298 53 G C 0.936 176.002 174.900 0.277 0.000 1.030 53 G CA 1.316 46.491 45.100 0.125 0.000 1.149 53 G HN 2.780 nan 8.290 nan 0.000 0.512 54 G N -0.161 108.824 108.800 0.307 0.000 2.650 54 G HA2 -0.119 3.842 3.960 0.002 0.000 0.264 54 G HA3 -0.119 3.842 3.960 0.002 0.000 0.264 54 G C 0.857 175.866 174.900 0.182 0.000 1.263 54 G CA 0.815 46.067 45.100 0.253 0.000 0.960 54 G HN 2.070 nan 8.290 nan 0.000 0.548 55 I N 0.392 121.089 120.570 0.212 0.000 3.626 55 I HA 0.616 4.787 4.170 0.002 0.000 0.345 55 I C 0.970 177.224 176.117 0.229 0.000 1.502 55 I CA 0.078 61.495 61.300 0.193 0.000 1.135 55 I CB 0.229 38.326 38.000 0.162 0.000 1.456 55 I HN 0.755 nan 8.210 nan 0.000 0.460 56 G N 2.309 111.134 108.800 0.042 0.000 2.346 56 G HA2 0.276 4.237 3.960 0.002 0.000 0.275 56 G HA3 0.276 4.237 3.960 0.002 0.000 0.275 56 G C -0.083 174.733 174.900 -0.141 0.000 1.190 56 G CA -0.323 44.614 45.100 -0.272 0.000 1.015 56 G HN 0.486 nan 8.290 nan 0.000 0.441 57 R N 1.656 122.129 120.500 -0.045 0.000 2.732 57 R HA 0.526 4.868 4.340 0.002 0.000 0.278 57 R C 0.958 177.293 176.300 0.058 0.000 0.976 57 R CA -0.417 55.691 56.100 0.013 0.000 0.963 57 R CB 1.887 32.217 30.300 0.051 0.000 1.150 57 R HN 0.481 nan 8.270 nan 0.000 0.478 58 A N 0.961 123.832 122.820 0.085 0.000 2.030 58 A HA 0.339 4.660 4.320 0.002 0.000 0.215 58 A C 0.465 178.234 177.584 0.308 0.000 1.164 58 A CA 1.172 53.358 52.037 0.248 0.000 0.697 58 A CB 0.261 19.362 19.000 0.169 0.000 0.827 58 A HN 0.648 nan 8.150 nan 0.000 0.457 59 A N -1.833 121.051 122.820 0.107 0.000 2.587 59 A HA 0.629 4.950 4.320 0.002 0.000 0.293 59 A C 0.626 178.212 177.584 0.002 0.000 1.087 59 A CA -0.092 52.001 52.037 0.093 0.000 0.692 59 A CB 0.550 19.594 19.000 0.074 0.000 1.291 59 A HN 0.170 nan 8.150 nan 0.000 0.407 60 R N 0.015 120.533 120.500 0.030 0.000 2.081 60 R HA -0.124 4.218 4.340 0.002 0.000 0.235 60 R C 0.259 176.548 176.300 -0.018 0.000 1.131 60 R CA 2.317 58.431 56.100 0.024 0.000 0.960 60 R CB -0.150 30.171 30.300 0.035 0.000 0.856 60 R HN 0.920 nan 8.270 nan 0.000 0.436 61 N N -4.256 114.411 118.700 -0.056 0.000 3.179 61 N HA 0.003 4.745 4.740 0.002 0.000 0.250 61 N C -0.641 174.809 175.510 -0.100 0.000 1.507 61 N CA -0.779 52.227 53.050 -0.072 0.000 0.883 61 N CB -0.546 37.970 38.487 0.047 0.000 1.435 61 N HN -0.086 nan 8.380 nan 0.000 0.532 62 W N -0.026 121.322 121.300 0.081 0.000 2.436 62 W HA 0.174 4.835 4.660 0.002 0.000 0.284 62 W C 1.711 178.306 176.519 0.126 0.000 1.225 62 W CA 0.597 57.998 57.345 0.093 0.000 1.271 62 W CB 0.048 29.523 29.460 0.024 0.000 1.114 62 W HN 0.609 nan 8.180 nan 0.000 0.559 63 E N -0.630 119.732 120.200 0.270 0.000 2.051 63 E HA -0.229 4.122 4.350 0.002 0.000 0.192 63 E C 2.033 178.709 176.600 0.127 0.000 0.991 63 E CA 1.672 58.176 56.400 0.173 0.000 0.799 63 E CB -0.527 29.243 29.700 0.117 0.000 0.748 63 E HN 0.227 nan 8.360 nan 0.000 0.449 64 C N 0.345 119.706 119.300 0.101 0.000 2.432 64 C HA -0.169 4.292 4.460 0.002 0.000 0.277 64 C C 2.527 177.550 174.990 0.055 0.000 1.249 64 C CA 0.788 59.844 59.018 0.064 0.000 1.725 64 C CB -1.055 26.717 27.740 0.053 0.000 2.028 64 C HN 0.518 nan 8.230 nan 0.000 0.477 65 Y N 2.395 122.668 120.300 -0.044 0.000 2.081 65 Y HA -0.270 4.281 4.550 0.003 0.000 0.280 65 Y C 2.164 178.064 175.900 -0.000 0.000 1.163 65 Y CA 2.299 60.355 58.100 -0.074 0.000 1.135 65 Y CB -0.527 37.827 38.460 -0.178 0.000 0.970 65 Y HN 0.321 nan 8.280 nan 0.000 0.498 66 D N 0.105 120.560 120.400 0.092 0.000 2.123 66 D HA -0.183 4.459 4.640 0.002 0.000 0.196 66 D C 2.044 178.277 176.300 -0.111 0.000 0.992 66 D CA 1.674 55.673 54.000 -0.002 0.000 0.833 66 D CB -0.288 40.594 40.800 0.136 0.000 0.954 66 D HN 0.216 nan 8.370 nan 0.000 0.455 67 K N 0.617 120.980 120.400 -0.062 0.000 2.155 67 K HA 0.044 4.365 4.320 0.002 0.000 0.203 67 K C 2.048 178.586 176.600 -0.103 0.000 1.052 67 K CA 0.452 56.703 56.287 -0.061 0.000 0.948 67 K CB -0.371 32.119 32.500 -0.018 0.000 0.728 67 K HN 0.133 nan 8.250 nan 0.000 0.448 68 I N -0.270 120.213 120.570 -0.144 0.000 2.179 68 I HA -0.285 3.887 4.170 0.002 0.000 0.242 68 I C 1.987 177.949 176.117 -0.260 0.000 1.088 68 I CA 1.004 62.205 61.300 -0.165 0.000 1.357 68 I CB -0.318 37.581 38.000 -0.169 0.000 1.051 68 I HN -0.098 nan 8.210 nan 0.000 0.409 69 V N 0.807 120.478 119.914 -0.404 0.000 2.287 69 V HA -0.334 3.787 4.120 0.002 0.000 0.248 69 V C 2.530 178.493 176.094 -0.218 0.000 1.053 69 V CA 2.348 64.422 62.300 -0.376 0.000 1.027 69 V CB -0.720 30.813 31.823 -0.483 0.000 0.646 69 V HN 0.522 nan 8.190 nan 0.000 0.447 70 E N -0.138 119.959 120.200 -0.171 0.000 2.085 70 E HA -0.234 4.117 4.350 0.002 0.000 0.194 70 E C 2.164 178.708 176.600 -0.094 0.000 0.994 70 E CA 1.978 58.312 56.400 -0.108 0.000 0.801 70 E CB -0.127 29.526 29.700 -0.079 0.000 0.743 70 E HN 0.656 nan 8.360 nan 0.000 0.453 71 T N 1.354 115.852 114.554 -0.094 0.000 2.770 71 T HA -0.075 4.276 4.350 0.002 0.000 0.263 71 T C 1.930 176.587 174.700 -0.072 0.000 1.039 71 T CA 0.986 63.044 62.100 -0.070 0.000 1.142 71 T CB -0.198 68.639 68.868 -0.052 0.000 0.868 71 T HN 0.146 nan 8.240 nan 0.000 0.435 72 L N 0.945 122.110 121.223 -0.096 0.000 2.079 72 L HA -0.138 4.203 4.340 0.002 0.000 0.210 72 L C 2.845 179.659 176.870 -0.094 0.000 1.081 72 L CA 1.171 55.953 54.840 -0.096 0.000 0.752 72 L CB -1.039 40.929 42.059 -0.152 0.000 0.896 72 L HN 0.304 nan 8.230 nan 0.000 0.433 73 T N -0.388 114.103 114.554 -0.105 0.000 2.833 73 T HA -0.176 4.175 4.350 0.002 0.000 0.269 73 T C 1.696 176.351 174.700 -0.075 0.000 1.054 73 T CA 1.579 63.622 62.100 -0.096 0.000 1.135 73 T CB -0.173 68.638 68.868 -0.095 0.000 0.869 73 T HN 0.501 nan 8.240 nan 0.000 0.466 74 R N 0.051 120.513 120.500 -0.064 0.000 2.365 74 R HA 0.359 4.700 4.340 0.002 0.000 0.223 74 R C 0.355 176.632 176.300 -0.039 0.000 0.899 74 R CA -0.394 55.676 56.100 -0.050 0.000 1.059 74 R CB -0.338 29.934 30.300 -0.047 0.000 1.086 74 R HN 0.151 nan 8.270 nan 0.000 0.522 75 L N 2.865 124.066 121.223 -0.037 0.000 2.499 75 L HA 0.071 4.412 4.340 0.002 0.000 0.273 75 L C -0.074 176.790 176.870 -0.010 0.000 1.195 75 L CA 0.508 55.336 54.840 -0.020 0.000 0.882 75 L CB 0.494 42.546 42.059 -0.011 0.000 1.133 75 L HN 0.160 nan 8.230 nan 0.000 0.483 76 E N 2.935 123.135 120.200 -0.001 0.000 2.314 76 E HA 0.038 4.389 4.350 0.002 0.000 0.262 76 E C 0.070 176.685 176.600 0.025 0.000 1.093 76 E CA -0.417 55.988 56.400 0.009 0.000 0.908 76 E CB 0.723 30.429 29.700 0.010 0.000 1.091 76 E HN 0.542 nan 8.360 nan 0.000 0.425 77 D N 0.696 121.116 120.400 0.033 0.000 2.348 77 D HA -0.110 4.532 4.640 0.002 0.000 0.216 77 D C 0.491 176.822 176.300 0.051 0.000 0.970 77 D CA 0.657 54.686 54.000 0.048 0.000 0.889 77 D CB 0.188 41.022 40.800 0.057 0.000 0.912 77 D HN 0.362 nan 8.370 nan 0.000 0.524 78 D N -0.680 119.749 120.400 0.048 0.000 2.424 78 D HA 0.064 4.705 4.640 0.002 0.000 0.220 78 D C 0.017 176.346 176.300 0.048 0.000 1.150 78 D CA -0.157 53.877 54.000 0.057 0.000 0.831 78 D CB -0.140 40.704 40.800 0.074 0.000 0.981 78 D HN 0.063 nan 8.370 nan 0.000 0.500 79 E N -0.539 119.684 120.200 0.039 0.000 2.244 79 E HA 0.564 4.915 4.350 0.002 0.000 0.266 79 E C -0.867 175.762 176.600 0.049 0.000 0.914 79 E CA -0.842 55.583 56.400 0.043 0.000 0.794 79 E CB 1.956 31.670 29.700 0.023 0.000 1.210 79 E HN -0.127 nan 8.360 nan 0.000 0.414 80 T N 1.953 116.553 114.554 0.076 0.000 2.840 80 T HA 0.278 4.629 4.350 0.002 0.000 0.287 80 T C -0.972 173.798 174.700 0.117 0.000 0.991 80 T CA -0.653 61.502 62.100 0.091 0.000 0.964 80 T CB 0.703 69.624 68.868 0.089 0.000 0.954 80 T HN 0.208 nan 8.240 nan 0.000 0.438 81 L N 4.547 125.827 121.223 0.095 0.000 2.331 81 L HA 0.556 4.897 4.340 0.002 0.000 0.278 81 L C -1.223 175.719 176.870 0.120 0.000 1.106 81 L CA -0.386 54.511 54.840 0.095 0.000 0.824 81 L CB 0.183 42.288 42.059 0.076 0.000 1.142 81 L HN 0.414 nan 8.230 nan 0.000 0.443 82 L N 6.268 127.577 121.223 0.144 0.000 2.272 82 L HA 0.485 4.827 4.340 0.002 0.000 0.289 82 L C -0.445 176.486 176.870 0.100 0.000 1.032 82 L CA -0.056 54.862 54.840 0.130 0.000 0.810 82 L CB 1.626 43.792 42.059 0.178 0.000 1.205 82 L HN 0.364 nan 8.230 nan 0.000 0.422 83 V N 3.941 123.899 119.914 0.072 0.000 2.384 83 V HA 0.452 4.573 4.120 0.002 0.000 0.287 83 V C -0.139 175.983 176.094 0.047 0.000 1.020 83 V CA -0.674 61.665 62.300 0.065 0.000 0.850 83 V CB 1.537 33.389 31.823 0.048 0.000 0.987 83 V HN 0.694 nan 8.190 nan 0.000 0.436 84 Q N 3.125 122.956 119.800 0.052 0.000 2.357 84 Q HA 0.301 4.642 4.340 0.002 0.000 0.266 84 Q C -0.015 176.008 176.000 0.037 0.000 1.021 84 Q CA -0.246 55.581 55.803 0.041 0.000 0.784 84 Q CB 1.615 30.378 28.738 0.042 0.000 1.243 84 Q HN 0.865 nan 8.270 nan 0.000 0.465 85 S N 3.242 118.959 115.700 0.028 0.000 3.447 85 S HA -0.226 4.245 4.470 0.002 0.000 0.371 85 S C 0.815 175.446 174.600 0.051 0.000 0.951 85 S CA 1.165 59.386 58.200 0.036 0.000 1.269 85 S CB -1.653 61.578 63.200 0.052 0.000 0.919 85 S HN 1.194 nan 8.310 nan 0.000 0.516 86 G N 0.283 109.119 108.800 0.060 0.000 2.179 86 G HA2 -0.328 3.634 3.960 0.002 0.000 0.257 86 G HA3 -0.328 3.634 3.960 0.002 0.000 0.257 86 G C -0.237 174.725 174.900 0.103 0.000 1.010 86 G CA 0.873 46.038 45.100 0.109 0.000 0.736 86 G HN 0.833 nan 8.290 nan 0.000 0.513 87 K N 0.615 121.064 120.400 0.082 0.000 2.397 87 K HA 0.555 4.876 4.320 0.002 0.000 0.253 87 K C -2.776 173.867 176.600 0.072 0.000 0.932 87 K CA -2.443 53.884 56.287 0.067 0.000 0.795 87 K CB 2.684 35.212 32.500 0.047 0.000 1.159 87 K HN -0.037 nan 8.250 nan 0.000 0.424 88 P HA 0.041 nan 4.420 nan 0.000 0.280 88 P C 0.508 177.834 177.300 0.044 0.000 1.386 88 P CA -0.355 62.780 63.100 0.059 0.000 0.899 88 P CB 0.851 32.574 31.700 0.037 0.000 1.098 89 V N 1.454 121.404 119.914 0.060 0.000 3.431 89 V HA 0.553 4.674 4.120 0.002 0.000 0.253 89 V C 0.738 176.870 176.094 0.064 0.000 1.184 89 V CA 0.658 62.995 62.300 0.061 0.000 1.104 89 V CB -0.290 31.578 31.823 0.075 0.000 0.799 89 V HN 0.537 nan 8.190 nan 0.000 0.462 90 G N -0.725 108.117 108.800 0.070 0.000 2.702 90 G HA2 0.552 4.514 3.960 0.002 0.000 0.296 90 G HA3 0.552 4.514 3.960 0.002 0.000 0.296 90 G C -1.888 172.962 174.900 -0.084 0.000 1.463 90 G CA -0.320 44.766 45.100 -0.024 0.000 0.890 90 G HN 0.196 nan 8.290 nan 0.000 0.534 91 V N 1.227 120.912 119.914 -0.382 0.000 2.487 91 V HA 0.749 4.870 4.120 0.002 0.000 0.298 91 V C -0.948 174.818 176.094 -0.547 0.000 1.028 91 V CA -0.529 61.616 62.300 -0.259 0.000 0.860 91 V CB 1.055 32.782 31.823 -0.159 0.000 0.991 91 V HN 0.599 nan 8.190 nan 0.000 0.427 92 F N 2.318 122.275 119.950 0.012 0.000 2.577 92 F HA 0.568 5.096 4.527 0.002 0.000 0.318 92 F C 0.138 175.947 175.800 0.014 0.000 1.065 92 F CA -1.068 56.940 58.000 0.013 0.000 0.929 92 F CB 2.021 41.029 39.000 0.013 0.000 1.237 92 F HN 0.286 nan 8.300 nan 0.000 0.468 93 K N 0.936 121.458 120.400 0.204 0.000 2.339 93 K HA 0.418 4.739 4.320 0.002 0.000 0.286 93 K C 0.111 176.790 176.600 0.132 0.000 1.050 93 K CA 0.241 56.605 56.287 0.129 0.000 0.956 93 K CB 0.679 33.240 32.500 0.102 0.000 0.990 93 K HN 0.869 nan 8.250 nan 0.000 0.475 94 T N 0.699 115.311 114.554 0.097 0.000 1.832 94 T HA 0.394 4.745 4.350 0.002 0.000 0.171 94 T C -0.524 174.263 174.700 0.144 0.000 0.718 94 T CA -0.241 61.907 62.100 0.080 0.000 0.980 94 T CB 0.007 68.848 68.868 -0.045 0.000 3.173 94 T HN 0.843 nan 8.240 nan 0.000 0.399 95 H N -1.296 117.808 119.070 0.056 0.000 2.967 95 H HA 0.625 5.182 4.556 0.002 0.000 0.318 95 H C 0.748 176.109 175.328 0.055 0.000 1.375 95 H CA -0.267 55.810 56.048 0.049 0.000 1.132 95 H CB 0.573 30.359 29.762 0.040 0.000 1.848 95 H HN 0.412 nan 8.280 nan 0.000 0.524 96 S N -0.424 115.379 115.700 0.171 0.000 2.474 96 S HA -0.127 4.345 4.470 0.002 0.000 0.235 96 S C 0.649 175.315 174.600 0.110 0.000 0.997 96 S CA 1.090 59.356 58.200 0.110 0.000 0.949 96 S CB -0.352 62.917 63.200 0.116 0.000 0.766 96 S HN 0.651 nan 8.310 nan 0.000 0.517 97 N N 1.652 120.495 118.700 0.239 0.000 2.270 97 N HA 0.397 5.138 4.740 0.002 0.000 0.198 97 N C 0.202 175.739 175.510 0.044 0.000 1.117 97 N CA 0.420 53.590 53.050 0.202 0.000 0.845 97 N CB 0.631 39.293 38.487 0.292 0.000 0.980 97 N HN 0.570 nan 8.380 nan 0.000 0.486 98 A N 1.432 124.054 122.820 -0.330 0.000 2.269 98 A HA 0.654 4.975 4.320 0.002 0.000 0.319 98 A C -2.404 175.122 177.584 -0.095 0.000 1.110 98 A CA -1.426 50.432 52.037 -0.299 0.000 0.847 98 A CB 0.389 19.038 19.000 -0.586 0.000 1.161 98 A HN -0.118 nan 8.150 nan 0.000 0.497 99 P HA 0.158 nan 4.420 nan 0.000 0.269 99 P C 0.336 177.681 177.300 0.075 0.000 1.209 99 P CA -0.241 62.898 63.100 0.064 0.000 0.776 99 P CB 0.466 32.218 31.700 0.087 0.000 0.876 100 R N 0.823 121.407 120.500 0.140 0.000 2.193 100 R HA 0.104 4.446 4.340 0.002 0.000 0.213 100 R C 0.081 176.460 176.300 0.132 0.000 1.055 100 R CA 0.756 56.930 56.100 0.125 0.000 0.995 100 R CB -0.232 30.154 30.300 0.144 0.000 0.893 100 R HN 0.331 nan 8.270 nan 0.000 0.459 101 V N 1.550 121.573 119.914 0.182 0.000 2.760 101 V HA 0.403 4.524 4.120 0.002 0.000 0.309 101 V C -0.506 175.677 176.094 0.150 0.000 1.077 101 V CA -0.806 61.585 62.300 0.153 0.000 0.910 101 V CB 2.736 34.633 31.823 0.125 0.000 1.008 101 V HN -0.044 nan 8.190 nan 0.000 0.424 102 L N 5.375 126.655 121.223 0.095 0.000 2.349 102 L HA 0.661 5.002 4.340 0.002 0.000 0.278 102 L C -0.964 175.933 176.870 0.045 0.000 0.996 102 L CA -0.331 54.552 54.840 0.071 0.000 0.825 102 L CB 1.898 43.991 42.059 0.057 0.000 1.243 102 L HN 0.508 nan 8.230 nan 0.000 0.412 103 I N 2.951 123.542 120.570 0.036 0.000 2.436 103 I HA 0.647 4.818 4.170 0.002 0.000 0.289 103 I C -0.157 176.009 176.117 0.083 0.000 1.010 103 I CA -0.466 60.845 61.300 0.019 0.000 1.098 103 I CB 2.111 40.078 38.000 -0.055 0.000 1.266 103 I HN 0.626 nan 8.210 nan 0.000 0.434 104 A N 5.765 128.625 122.820 0.068 0.000 2.375 104 A HA 0.679 5.001 4.320 0.002 0.000 0.291 104 A C -1.088 176.516 177.584 0.035 0.000 1.160 104 A CA -0.660 51.426 52.037 0.081 0.000 0.747 104 A CB 0.564 19.593 19.000 0.049 0.000 1.170 104 A HN 0.647 nan 8.150 nan 0.000 0.458 105 N N 0.862 119.548 118.700 -0.022 0.000 2.342 105 N HA 0.516 5.257 4.740 0.002 0.000 0.293 105 N C 0.168 175.645 175.510 -0.055 0.000 1.026 105 N CA 0.243 53.195 53.050 -0.164 0.000 0.857 105 N CB 1.654 39.799 38.487 -0.570 0.000 1.256 105 N HN 0.652 nan 8.380 nan 0.000 0.484 106 S N -0.118 115.637 115.700 0.092 0.000 3.084 106 S HA -0.174 4.297 4.470 0.002 0.000 0.277 106 S C -0.037 174.747 174.600 0.307 0.000 1.295 106 S CA 0.194 58.550 58.200 0.260 0.000 1.170 106 S CB -1.527 61.842 63.200 0.281 0.000 1.412 106 S HN 0.683 nan 8.310 nan 0.000 0.669 107 N N 1.572 120.372 118.700 0.166 0.000 2.452 107 N HA 0.420 5.162 4.740 0.002 0.000 0.266 107 N C -0.343 175.182 175.510 0.025 0.000 1.175 107 N CA 0.512 53.604 53.050 0.071 0.000 0.945 107 N CB 0.498 39.000 38.487 0.025 0.000 1.063 107 N HN 0.444 nan 8.380 nan 0.000 0.472 108 L N 1.746 122.911 121.223 -0.097 0.000 2.386 108 L HA 0.359 4.701 4.340 0.002 0.000 0.271 108 L C 0.035 176.859 176.870 -0.077 0.000 0.993 108 L CA -1.203 53.620 54.840 -0.029 0.000 0.819 108 L CB 2.229 44.341 42.059 0.089 0.000 1.294 108 L HN 0.106 nan 8.230 nan 0.000 0.414 109 V N 4.277 124.196 119.914 0.009 0.000 2.584 109 V HA -0.071 4.050 4.120 0.002 0.000 0.303 109 V C -1.275 174.934 176.094 0.191 0.000 1.035 109 V CA -0.399 61.953 62.300 0.088 0.000 1.172 109 V CB 0.588 32.469 31.823 0.095 0.000 0.896 109 V HN 0.715 nan 8.190 nan 0.000 0.486 110 P HA -0.217 nan 4.420 nan 0.000 0.216 110 P C 1.627 178.935 177.300 0.014 0.000 1.154 110 P CA 1.538 64.641 63.100 0.004 0.000 0.865 110 P CB 0.063 31.754 31.700 -0.015 0.000 0.789 111 H N -2.142 116.894 119.070 -0.056 0.000 2.489 111 H HA -0.113 4.444 4.556 0.002 0.000 0.295 111 H C 1.118 176.140 175.328 -0.510 0.000 1.082 111 H CA 1.422 57.240 56.048 -0.383 0.000 1.295 111 H CB -0.428 28.894 29.762 -0.734 0.000 1.380 111 H HN 0.273 nan 8.280 nan 0.000 0.548 112 W N -0.271 120.918 121.300 -0.186 0.000 3.132 112 W HA 0.460 5.122 4.660 0.002 0.000 0.364 112 W C 0.419 176.866 176.519 -0.119 0.000 1.129 112 W CA 0.177 57.362 57.345 -0.267 0.000 1.815 112 W CB 0.108 29.330 29.460 -0.397 0.000 1.099 112 W HN 0.177 nan 8.180 nan 0.000 0.605 113 A N 2.745 125.590 122.820 0.041 0.000 2.990 113 A HA 0.278 4.599 4.320 0.002 0.000 0.282 113 A C -0.118 177.467 177.584 0.002 0.000 1.688 113 A CA 0.221 52.285 52.037 0.045 0.000 1.391 113 A CB -1.448 17.490 19.000 -0.104 0.000 1.112 113 A HN 0.399 nan 8.150 nan 0.000 0.588 114 N N -1.944 116.776 118.700 0.032 0.000 2.610 114 N HA 0.389 5.131 4.740 0.002 0.000 0.264 114 N C 0.050 175.590 175.510 0.049 0.000 1.348 114 N CA -0.992 52.045 53.050 -0.022 0.000 0.819 114 N CB 0.386 38.881 38.487 0.013 0.000 1.521 114 N HN 0.227 nan 8.380 nan 0.000 0.497 115 W N -0.170 121.198 121.300 0.113 0.000 2.388 115 W HA -0.004 4.657 4.660 0.002 0.000 0.294 115 W C 2.063 178.684 176.519 0.170 0.000 1.212 115 W CA 0.866 58.271 57.345 0.101 0.000 1.271 115 W CB 0.150 29.616 29.460 0.010 0.000 1.126 115 W HN 0.769 nan 8.180 nan 0.000 0.535 116 E N -0.271 120.140 120.200 0.353 0.000 2.058 116 E HA -0.336 4.015 4.350 0.002 0.000 0.194 116 E C 1.914 178.677 176.600 0.271 0.000 0.997 116 E CA 1.851 58.408 56.400 0.262 0.000 0.801 116 E CB -0.282 29.528 29.700 0.184 0.000 0.746 116 E HN 0.328 nan 8.360 nan 0.000 0.450 117 H N -0.803 118.387 119.070 0.200 0.000 2.357 117 H HA -0.117 4.440 4.556 0.002 0.000 0.301 117 H C 1.729 177.180 175.328 0.205 0.000 1.082 117 H CA 1.830 57.996 56.048 0.197 0.000 1.342 117 H CB -0.404 29.499 29.762 0.234 0.000 1.389 117 H HN 0.265 nan 8.280 nan 0.000 0.511 118 F N 1.188 121.223 119.950 0.141 0.000 2.065 118 F HA -0.306 4.223 4.527 0.002 0.000 0.298 118 F C 1.974 177.830 175.800 0.093 0.000 1.112 118 F CA 1.920 59.983 58.000 0.105 0.000 1.212 118 F CB -0.394 38.696 39.000 0.148 0.000 0.975 118 F HN 0.181 nan 8.300 nan 0.000 0.476 119 N N 0.694 119.611 118.700 0.362 0.000 2.166 119 N HA -0.169 4.573 4.740 0.002 0.000 0.186 119 N C 1.757 177.263 175.510 -0.008 0.000 1.019 119 N CA 1.630 54.801 53.050 0.202 0.000 0.856 119 N CB -0.527 38.107 38.487 0.246 0.000 0.993 119 N HN 0.543 nan 8.380 nan 0.000 0.426 120 E N 0.700 120.873 120.200 -0.045 0.000 2.051 120 E HA -0.108 4.243 4.350 0.002 0.000 0.192 120 E C 2.070 178.554 176.600 -0.193 0.000 0.991 120 E CA 0.716 57.051 56.400 -0.109 0.000 0.799 120 E CB -0.184 29.441 29.700 -0.125 0.000 0.748 120 E HN 0.296 nan 8.360 nan 0.000 0.449 121 L N 1.053 122.082 121.223 -0.323 0.000 2.046 121 L HA -0.207 4.134 4.340 0.002 0.000 0.208 121 L C 2.412 179.114 176.870 -0.279 0.000 1.077 121 L CA 1.008 55.661 54.840 -0.312 0.000 0.747 121 L CB -0.371 41.470 42.059 -0.363 0.000 0.896 121 L HN 0.128 nan 8.230 nan 0.000 0.432 122 D N 0.237 120.417 120.400 -0.368 0.000 2.097 122 D HA -0.175 4.466 4.640 0.002 0.000 0.195 122 D C 2.174 178.400 176.300 -0.123 0.000 0.989 122 D CA 1.444 55.271 54.000 -0.289 0.000 0.827 122 D CB 0.121 40.743 40.800 -0.297 0.000 0.966 122 D HN 0.238 nan 8.370 nan 0.000 0.456 123 A N 0.321 123.088 122.820 -0.089 0.000 2.024 123 A HA -0.178 4.143 4.320 0.002 0.000 0.220 123 A C 1.976 179.535 177.584 -0.042 0.000 1.164 123 A CA 1.394 53.406 52.037 -0.043 0.000 0.643 123 A CB -0.356 18.627 19.000 -0.028 0.000 0.806 123 A HN 0.261 nan 8.150 nan 0.000 0.451 124 K N -1.550 118.810 120.400 -0.068 0.000 2.404 124 K HA 0.272 4.593 4.320 0.002 0.000 0.194 124 K C 0.883 177.455 176.600 -0.047 0.000 1.023 124 K CA 0.411 56.667 56.287 -0.052 0.000 1.094 124 K CB 0.084 32.547 32.500 -0.063 0.000 0.841 124 K HN 0.624 nan 8.250 nan 0.000 0.523 125 G N 1.593 110.361 108.800 -0.054 0.000 2.147 125 G HA2 -0.246 3.715 3.960 0.002 0.000 0.244 125 G HA3 -0.246 3.715 3.960 0.002 0.000 0.244 125 G C 0.414 175.284 174.900 -0.050 0.000 1.005 125 G CA -0.061 45.017 45.100 -0.037 0.000 0.713 125 G HN 0.300 nan 8.290 nan 0.000 0.515 126 L N -0.612 120.556 121.223 -0.092 0.000 2.693 126 L HA 0.639 4.980 4.340 0.002 0.000 0.235 126 L C 1.208 178.006 176.870 -0.119 0.000 1.127 126 L CA 0.609 55.394 54.840 -0.091 0.000 0.914 126 L CB 0.345 42.346 42.059 -0.097 0.000 1.193 126 L HN 0.525 nan 8.230 nan 0.000 0.502 127 A N 0.751 123.467 122.820 -0.174 0.000 2.515 127 A HA 0.853 5.174 4.320 0.002 0.000 0.296 127 A C -1.033 176.506 177.584 -0.075 0.000 1.094 127 A CA -0.416 51.473 52.037 -0.247 0.000 0.718 127 A CB 2.457 20.982 19.000 -0.792 0.000 1.307 127 A HN 0.044 nan 8.150 nan 0.000 0.408 128 M N 1.504 121.192 119.600 0.147 0.000 2.325 128 M HA 0.344 4.825 4.480 0.002 0.000 0.285 128 M C -2.339 174.293 176.300 0.553 0.000 1.119 128 M CA -0.520 54.978 55.300 0.330 0.000 0.959 128 M CB 1.703 34.399 32.600 0.161 0.000 1.737 128 M HN 0.850 nan 8.290 nan 0.000 0.486 129 Y N 3.374 123.947 120.300 0.455 0.000 2.436 129 Y HA 0.502 5.053 4.550 0.002 0.000 0.343 129 Y C 0.833 176.755 175.900 0.037 0.000 1.008 129 Y CA 0.531 58.730 58.100 0.165 0.000 1.241 129 Y CB 1.484 39.985 38.460 0.068 0.000 1.153 129 Y HN 0.816 nan 8.280 nan 0.000 0.521 130 G N 4.010 112.658 108.800 -0.254 0.000 2.712 130 G HA2 -0.018 3.944 3.960 0.002 0.000 0.212 130 G HA3 -0.018 3.944 3.960 0.002 0.000 0.212 130 G C 0.608 175.247 174.900 -0.435 0.000 1.142 130 G CA 0.288 45.149 45.100 -0.398 0.000 0.789 130 G HN 0.682 nan 8.290 nan 0.000 0.535 131 Q N -1.258 117.928 119.800 -1.024 0.000 1.795 131 Q HA -0.303 4.039 4.340 0.002 0.000 0.404 131 Q C 1.792 177.698 176.000 -0.157 0.000 0.847 131 Q CA 1.993 57.273 55.803 -0.871 0.000 0.799 131 Q CB -1.203 26.951 28.738 -0.974 0.000 3.822 131 Q HN 0.419 nan 8.270 nan 0.000 0.742 132 M N -1.278 118.255 119.600 -0.111 0.000 2.749 132 M HA -0.000 4.481 4.480 0.002 0.000 0.240 132 M C 1.919 177.965 176.300 -0.423 0.000 1.285 132 M CA 1.615 56.708 55.300 -0.345 0.000 1.267 132 M CB -0.034 32.366 32.600 -0.334 0.000 1.184 132 M HN 0.714 nan 8.290 nan 0.000 0.526 133 T N -1.653 112.935 114.554 0.057 0.000 3.086 133 T HA 0.386 4.738 4.350 0.002 0.000 0.250 133 T C 1.537 176.448 174.700 0.351 0.000 1.074 133 T CA 0.418 62.639 62.100 0.203 0.000 0.988 133 T CB -0.012 69.026 68.868 0.283 0.000 0.988 133 T HN 0.237 nan 8.240 nan 0.000 0.530 134 A N 2.009 125.015 122.820 0.310 0.000 1.854 134 A HA 0.371 4.692 4.320 0.002 0.000 0.214 134 A C 2.526 180.254 177.584 0.240 0.000 1.192 134 A CA 1.265 53.417 52.037 0.191 0.000 0.611 134 A CB -1.357 17.566 19.000 -0.129 0.000 0.832 134 A HN 0.567 nan 8.150 nan 0.000 0.442 135 G N -0.858 108.049 108.800 0.179 0.000 2.712 135 G HA2 0.124 4.085 3.960 0.002 0.000 0.212 135 G HA3 0.124 4.085 3.960 0.002 0.000 0.212 135 G C 1.289 176.151 174.900 -0.063 0.000 1.142 135 G CA 1.296 46.474 45.100 0.130 0.000 0.789 135 G HN 0.896 nan 8.290 nan 0.000 0.535 136 S N -1.597 114.135 115.700 0.053 0.000 2.650 136 S HA 0.175 4.647 4.470 0.002 0.000 0.240 136 S C 0.291 175.029 174.600 0.230 0.000 1.007 136 S CA -0.378 57.774 58.200 -0.081 0.000 0.984 136 S CB -0.319 62.952 63.200 0.118 0.000 0.910 136 S HN 0.459 nan 8.310 nan 0.000 0.509 137 W N 0.274 121.802 121.300 0.380 0.000 5.721 137 W HA -0.160 4.501 4.660 0.002 0.000 0.406 137 W C -0.090 176.722 176.519 0.489 0.000 1.576 137 W CA -0.232 57.335 57.345 0.370 0.000 0.977 137 W CB -2.591 26.987 29.460 0.198 0.000 2.771 137 W HN 0.502 nan 8.180 nan 0.000 1.435 138 I N -0.539 120.360 120.570 0.548 0.000 3.554 138 I HA 0.216 4.387 4.170 0.002 0.000 0.321 138 I C -0.130 176.163 176.117 0.293 0.000 1.484 138 I CA -1.241 60.289 61.300 0.384 0.000 0.975 138 I CB -0.241 37.917 38.000 0.263 0.000 1.528 138 I HN -0.024 nan 8.210 nan 0.000 0.609 139 Y N 2.941 123.362 120.300 0.202 0.000 2.377 139 Y HA 0.448 4.999 4.550 0.002 0.000 0.330 139 Y C 1.011 176.964 175.900 0.088 0.000 1.108 139 Y CA 0.031 58.193 58.100 0.104 0.000 1.308 139 Y CB 0.801 39.347 38.460 0.143 0.000 1.216 139 Y HN 0.280 nan 8.280 nan 0.000 0.518 140 I N 3.730 124.048 120.570 -0.419 0.000 3.326 140 I HA 0.644 4.815 4.170 0.002 0.000 0.336 140 I C 0.635 176.502 176.117 -0.417 0.000 1.543 140 I CA -0.070 61.072 61.300 -0.265 0.000 1.013 140 I CB -0.104 37.818 38.000 -0.129 0.000 1.468 140 I HN 0.842 nan 8.210 nan 0.000 0.515 141 G N 1.780 110.093 108.800 -0.811 0.000 2.598 141 G HA2 -0.292 3.669 3.960 0.002 0.000 0.244 141 G HA3 -0.292 3.669 3.960 0.002 0.000 0.244 141 G C 0.443 174.932 174.900 -0.684 0.000 1.302 141 G CA 0.120 44.877 45.100 -0.571 0.000 0.903 141 G HN 0.341 nan 8.290 nan 0.000 0.575 142 S N -0.050 115.342 115.700 -0.514 0.000 2.507 142 S HA -0.071 4.400 4.470 0.002 0.000 0.235 142 S C 2.052 176.449 174.600 -0.338 0.000 0.988 142 S CA 1.688 59.526 58.200 -0.604 0.000 0.944 142 S CB -0.020 62.415 63.200 -1.274 0.000 0.762 142 S HN 0.651 nan 8.310 nan 0.000 0.526 143 Q N 1.130 120.844 119.800 -0.144 0.000 2.224 143 Q HA -0.084 4.257 4.340 0.002 0.000 0.203 143 Q C 2.230 178.239 176.000 0.016 0.000 0.970 143 Q CA 1.245 57.087 55.803 0.065 0.000 0.865 143 Q CB -0.475 28.318 28.738 0.091 0.000 0.922 143 Q HN 0.600 nan 8.270 nan 0.000 0.445 144 G N 1.306 110.024 108.800 -0.136 0.000 2.469 144 G HA2 -0.280 3.682 3.960 0.002 0.000 0.219 144 G HA3 -0.280 3.682 3.960 0.002 0.000 0.219 144 G C 1.321 176.246 174.900 0.041 0.000 1.150 144 G CA 0.894 45.938 45.100 -0.094 0.000 0.763 144 G HN 0.479 nan 8.290 nan 0.000 0.561 145 I N -0.193 120.389 120.570 0.019 0.000 3.783 145 I HA 0.159 4.330 4.170 0.002 0.000 0.310 145 I C 2.368 178.567 176.117 0.136 0.000 1.274 145 I CA 0.060 61.425 61.300 0.109 0.000 1.294 145 I CB 0.310 38.347 38.000 0.061 0.000 1.051 145 I HN 0.074 nan 8.210 nan 0.000 0.435 146 V N 0.945 120.948 119.914 0.147 0.000 2.407 146 V HA -0.327 3.795 4.120 0.002 0.000 0.248 146 V C 2.233 178.412 176.094 0.142 0.000 1.055 146 V CA 2.502 64.930 62.300 0.214 0.000 1.049 146 V CB -0.267 31.780 31.823 0.374 0.000 0.662 146 V HN 0.578 nan 8.190 nan 0.000 0.455 147 Q N -0.595 119.197 119.800 -0.014 0.000 2.119 147 Q HA -0.092 4.249 4.340 0.002 0.000 0.201 147 Q C 2.132 177.716 176.000 -0.692 0.000 0.972 147 Q CA 1.722 57.135 55.803 -0.651 0.000 0.847 147 Q CB -0.497 27.580 28.738 -1.101 0.000 0.903 147 Q HN 0.715 nan 8.270 nan 0.000 0.433 148 G N -0.266 108.281 108.800 -0.422 0.000 2.446 148 G HA2 -0.269 3.693 3.960 0.002 0.000 0.217 148 G HA3 -0.269 3.693 3.960 0.002 0.000 0.217 148 G C 1.353 176.088 174.900 -0.275 0.000 1.168 148 G CA 1.367 46.230 45.100 -0.396 0.000 0.771 148 G HN 0.388 nan 8.290 nan 0.000 0.551 149 T N -0.116 114.345 114.554 -0.155 0.000 2.777 149 T HA -0.158 4.194 4.350 0.002 0.000 0.266 149 T C 1.964 176.354 174.700 -0.516 0.000 1.040 149 T CA 1.287 63.133 62.100 -0.424 0.000 1.141 149 T CB -0.359 68.326 68.868 -0.305 0.000 0.868 149 T HN 0.382 nan 8.240 nan 0.000 0.444 150 Y N 2.523 122.637 120.300 -0.310 0.000 2.097 150 Y HA -0.185 4.366 4.550 0.002 0.000 0.282 150 Y C 2.392 178.149 175.900 -0.238 0.000 1.152 150 Y CA 1.522 59.531 58.100 -0.151 0.000 1.136 150 Y CB -0.285 38.125 38.460 -0.083 0.000 0.975 150 Y HN 0.054 nan 8.280 nan 0.000 0.498 151 E N -0.340 119.556 120.200 -0.506 0.000 2.153 151 E HA -0.153 4.199 4.350 0.002 0.000 0.194 151 E C 2.169 178.484 176.600 -0.474 0.000 0.988 151 E CA 1.678 57.737 56.400 -0.569 0.000 0.811 151 E CB -0.619 28.690 29.700 -0.652 0.000 0.746 151 E HN 0.553 nan 8.360 nan 0.000 0.466 152 T N 1.273 115.547 114.554 -0.467 0.000 2.674 152 T HA -0.119 4.232 4.350 0.002 0.000 0.265 152 T C 1.660 176.020 174.700 -0.567 0.000 1.039 152 T CA 1.118 62.927 62.100 -0.485 0.000 1.150 152 T CB -0.355 68.205 68.868 -0.512 0.000 0.864 152 T HN 0.048 nan 8.240 nan 0.000 0.427 153 F N 1.174 120.879 119.950 -0.407 0.000 2.134 153 F HA -0.059 4.469 4.527 0.002 0.000 0.299 153 F C 2.538 178.132 175.800 -0.344 0.000 1.097 153 F CA -0.134 57.670 58.000 -0.326 0.000 1.264 153 F CB -1.441 37.442 39.000 -0.194 0.000 1.001 153 F HN -0.024 nan 8.300 nan 0.000 0.479 154 V N -0.162 119.600 119.914 -0.254 0.000 2.343 154 V HA -0.260 3.861 4.120 0.002 0.000 0.247 154 V C 2.419 178.373 176.094 -0.235 0.000 1.051 154 V CA 2.111 64.242 62.300 -0.281 0.000 1.036 154 V CB -0.546 30.996 31.823 -0.469 0.000 0.654 154 V HN 0.214 nan 8.190 nan 0.000 0.451 155 E N 0.904 120.922 120.200 -0.303 0.000 2.072 155 E HA -0.143 4.208 4.350 0.002 0.000 0.191 155 E C 2.124 178.542 176.600 -0.303 0.000 0.985 155 E CA 1.616 57.864 56.400 -0.254 0.000 0.801 155 E CB -0.536 29.045 29.700 -0.198 0.000 0.750 155 E HN 0.477 nan 8.360 nan 0.000 0.452 156 A N 0.265 122.723 122.820 -0.604 0.000 1.940 156 A HA -0.086 4.235 4.320 0.002 0.000 0.219 156 A C 2.451 180.016 177.584 -0.032 0.000 1.176 156 A CA 1.863 53.600 52.037 -0.499 0.000 0.631 156 A CB -1.359 17.249 19.000 -0.654 0.000 0.814 156 A HN 0.420 nan 8.150 nan 0.000 0.446 157 G N -0.692 108.095 108.800 -0.022 0.000 2.408 157 G HA2 -0.201 3.761 3.960 0.002 0.000 0.217 157 G HA3 -0.201 3.761 3.960 0.002 0.000 0.217 157 G C 1.765 176.685 174.900 0.034 0.000 1.150 157 G CA 0.816 45.975 45.100 0.099 0.000 0.776 157 G HN 0.580 nan 8.290 nan 0.000 0.542 158 R N -0.096 120.372 120.500 -0.053 0.000 2.066 158 R HA -0.032 4.310 4.340 0.002 0.000 0.232 158 R C 2.798 179.035 176.300 -0.104 0.000 1.131 158 R CA 1.453 57.513 56.100 -0.066 0.000 0.955 158 R CB -0.335 29.913 30.300 -0.086 0.000 0.851 158 R HN 0.426 nan 8.270 nan 0.000 0.432 159 Q N -0.788 118.901 119.800 -0.185 0.000 2.083 159 Q HA -0.135 4.206 4.340 0.002 0.000 0.198 159 Q C 1.443 177.196 176.000 -0.413 0.000 0.969 159 Q CA 1.512 57.121 55.803 -0.323 0.000 0.838 159 Q CB 0.096 28.570 28.738 -0.441 0.000 0.900 159 Q HN 0.608 nan 8.270 nan 0.000 0.436 160 H N -2.759 116.189 119.070 -0.203 0.000 2.604 160 H HA 0.095 4.652 4.556 0.002 0.000 0.273 160 H C 0.058 174.994 175.328 -0.652 0.000 0.971 160 H CA 0.432 56.189 56.048 -0.486 0.000 1.249 160 H CB 0.646 29.957 29.762 -0.751 0.000 1.449 160 H HN 0.143 nan 8.280 nan 0.000 0.512 161 Y N -0.477 119.875 120.300 0.086 0.000 2.715 161 Y HA 0.311 4.862 4.550 0.002 0.000 0.255 161 Y C 1.174 177.082 175.900 0.014 0.000 1.139 161 Y CA -0.237 57.889 58.100 0.042 0.000 1.151 161 Y CB 1.215 39.691 38.460 0.028 0.000 1.201 161 Y HN 0.267 nan 8.280 nan 0.000 0.556 162 G N 0.548 109.398 108.800 0.084 0.000 2.233 162 G HA2 -0.182 3.779 3.960 0.002 0.000 0.270 162 G HA3 -0.182 3.779 3.960 0.002 0.000 0.270 162 G C 1.157 176.084 174.900 0.046 0.000 1.011 162 G CA 0.512 45.641 45.100 0.049 0.000 0.762 162 G HN 1.227 nan 8.290 nan 0.000 0.511 163 G N -2.136 106.694 108.800 0.050 0.000 2.143 163 G HA2 0.088 4.050 3.960 0.002 0.000 0.248 163 G HA3 0.088 4.050 3.960 0.002 0.000 0.248 163 G C 0.274 175.201 174.900 0.045 0.000 0.991 163 G CA 1.255 46.374 45.100 0.032 0.000 0.689 163 G HN 2.148 nan 8.290 nan 0.000 0.522 164 S N -0.773 114.968 115.700 0.069 0.000 2.647 164 S HA 0.672 5.143 4.470 0.002 0.000 0.300 164 S C 0.801 175.420 174.600 0.030 0.000 1.129 164 S CA -0.769 57.458 58.200 0.046 0.000 1.029 164 S CB 0.976 64.198 63.200 0.036 0.000 1.007 164 S HN 0.435 nan 8.310 nan 0.000 0.484 165 L N 3.555 124.776 121.223 -0.003 0.000 2.667 165 L HA 0.363 4.705 4.340 0.002 0.000 0.232 165 L C 1.017 177.845 176.870 -0.070 0.000 1.138 165 L CA -0.129 54.672 54.840 -0.066 0.000 0.921 165 L CB -0.048 41.974 42.059 -0.061 0.000 1.180 165 L HN 0.565 nan 8.230 nan 0.000 0.487 166 K N 1.178 121.556 120.400 -0.036 0.000 2.453 166 K HA 0.153 4.474 4.320 0.002 0.000 0.280 166 K C 1.152 177.728 176.600 -0.039 0.000 1.045 166 K CA 0.983 57.254 56.287 -0.027 0.000 1.059 166 K CB 0.280 32.773 32.500 -0.010 0.000 0.901 166 K HN 0.251 nan 8.250 nan 0.000 0.475 167 G N 3.014 111.800 108.800 -0.024 0.000 2.159 167 G HA2 -0.211 3.750 3.960 0.002 0.000 0.256 167 G HA3 -0.211 3.750 3.960 0.002 0.000 0.256 167 G C -0.290 174.602 174.900 -0.013 0.000 0.977 167 G CA 0.104 45.197 45.100 -0.013 0.000 0.652 167 G HN 0.518 nan 8.290 nan 0.000 0.531 168 K N -0.108 120.260 120.400 -0.053 0.000 2.166 168 K HA 0.693 5.015 4.320 0.002 0.000 0.245 168 K C 0.060 176.687 176.600 0.045 0.000 0.967 168 K CA -0.537 55.688 56.287 -0.104 0.000 0.863 168 K CB 1.831 34.125 32.500 -0.345 0.000 1.107 168 K HN 0.560 nan 8.250 nan 0.000 0.436 169 W N -0.168 121.000 121.300 -0.221 0.000 3.022 169 W HA 0.495 5.156 4.660 0.002 0.000 0.335 169 W C -1.378 174.999 176.519 -0.236 0.000 1.133 169 W CA -1.035 56.189 57.345 -0.203 0.000 1.219 169 W CB 0.035 29.408 29.460 -0.146 0.000 1.409 169 W HN 0.020 nan 8.180 nan 0.000 0.507 170 V N 4.467 124.276 119.914 -0.175 0.000 2.481 170 V HA 0.296 4.417 4.120 0.002 0.000 0.286 170 V C -0.246 175.733 176.094 -0.191 0.000 1.042 170 V CA -0.704 61.387 62.300 -0.348 0.000 0.928 170 V CB 1.317 32.843 31.823 -0.496 0.000 0.986 170 V HN 0.444 nan 8.190 nan 0.000 0.462 171 L N 5.115 126.117 121.223 -0.367 0.000 2.296 171 L HA 0.815 5.156 4.340 0.002 0.000 0.286 171 L C -0.108 176.665 176.870 -0.162 0.000 1.023 171 L CA 1.002 55.724 54.840 -0.197 0.000 0.812 171 L CB 1.574 43.415 42.059 -0.364 0.000 1.223 171 L HN 0.851 nan 8.230 nan 0.000 0.421 172 T N 3.180 117.711 114.554 -0.038 0.000 2.671 172 T HA 0.930 5.282 4.350 0.002 0.000 0.300 172 T C -1.732 173.002 174.700 0.057 0.000 1.238 172 T CA 0.042 62.141 62.100 -0.002 0.000 1.020 172 T CB 1.361 70.238 68.868 0.015 0.000 1.503 172 T HN 0.968 nan 8.240 nan 0.000 0.497 173 A N -0.508 122.368 122.820 0.093 0.000 2.594 173 A HA 0.867 5.188 4.320 0.002 0.000 0.291 173 A C 0.078 177.731 177.584 0.115 0.000 1.105 173 A CA -0.059 52.038 52.037 0.099 0.000 0.694 173 A CB 1.071 20.139 19.000 0.114 0.000 1.291 173 A HN 2.231 nan 8.150 nan 0.000 0.410 174 G N -0.448 108.406 108.800 0.089 0.000 3.251 174 G HA2 0.126 4.087 3.960 0.002 0.000 0.680 174 G HA3 0.126 4.087 3.960 0.002 0.000 0.680 174 G C -0.661 174.288 174.900 0.082 0.000 1.129 174 G CA -0.174 44.984 45.100 0.096 0.000 0.994 174 G HN 1.283 nan 8.290 nan 0.000 0.450 175 L N 2.821 124.076 121.223 0.053 0.000 3.100 175 L HA 0.443 4.784 4.340 0.002 0.000 0.259 175 L C 1.565 178.447 176.870 0.021 0.000 1.316 175 L CA -0.011 54.853 54.840 0.040 0.000 0.992 175 L CB 0.214 42.298 42.059 0.042 0.000 1.390 175 L HN 0.724 nan 8.230 nan 0.000 0.550 176 G N -0.475 108.350 108.800 0.042 0.000 2.504 176 G HA2 0.301 4.263 3.960 0.002 0.000 0.257 176 G HA3 0.301 4.263 3.960 0.002 0.000 0.257 176 G C 1.061 175.965 174.900 0.007 0.000 1.451 176 G CA 0.316 45.447 45.100 0.051 0.000 1.059 176 G HN 0.310 nan 8.290 nan 0.000 0.550 177 G N -0.824 108.012 108.800 0.060 0.000 2.421 177 G HA2 -0.161 3.800 3.960 0.002 0.000 0.216 177 G HA3 -0.161 3.800 3.960 0.002 0.000 0.216 177 G C 1.641 176.530 174.900 -0.018 0.000 1.171 177 G CA 1.173 46.293 45.100 0.033 0.000 0.775 177 G HN 0.326 nan 8.290 nan 0.000 0.543 178 M N 0.533 120.169 119.600 0.061 0.000 2.447 178 M HA 0.155 4.636 4.480 0.002 0.000 0.266 178 M C 2.861 179.187 176.300 0.043 0.000 1.120 178 M CA 1.045 56.356 55.300 0.018 0.000 1.166 178 M CB -1.049 31.589 32.600 0.063 0.000 1.349 178 M HN 0.271 nan 8.290 nan 0.000 0.463 179 G N 0.590 109.442 108.800 0.086 0.000 2.450 179 G HA2 -0.157 3.805 3.960 0.002 0.000 0.220 179 G HA3 -0.157 3.805 3.960 0.002 0.000 0.220 179 G C 1.516 176.450 174.900 0.056 0.000 1.130 179 G CA 1.052 46.213 45.100 0.102 0.000 0.760 179 G HN 0.550 nan 8.290 nan 0.000 0.557 180 G N 0.783 109.573 108.800 -0.017 0.000 2.479 180 G HA2 0.082 4.043 3.960 0.002 0.000 0.220 180 G HA3 0.082 4.043 3.960 0.002 0.000 0.220 180 G C 1.819 176.694 174.900 -0.042 0.000 1.115 180 G CA 1.280 46.346 45.100 -0.057 0.000 0.757 180 G HN 0.638 nan 8.290 nan 0.000 0.560 181 A N 0.076 122.856 122.820 -0.067 0.000 2.119 181 A HA 0.077 4.399 4.320 0.002 0.000 0.216 181 A C 2.233 179.935 177.584 0.197 0.000 1.152 181 A CA 1.364 53.445 52.037 0.073 0.000 0.708 181 A CB -0.213 18.800 19.000 0.023 0.000 0.805 181 A HN 0.450 nan 8.150 nan 0.000 0.460 182 Q N 0.010 119.905 119.800 0.159 0.000 2.045 182 Q HA -0.168 4.174 4.340 0.002 0.000 0.206 182 Q C -0.477 175.686 176.000 0.273 0.000 0.991 182 Q CA 2.005 57.946 55.803 0.230 0.000 0.851 182 Q CB -1.126 27.726 28.738 0.189 0.000 0.911 182 Q HN 0.546 nan 8.270 nan 0.000 0.418 183 P HA -0.188 nan 4.420 nan 0.000 0.215 183 P C 1.470 178.851 177.300 0.135 0.000 1.157 183 P CA 1.091 64.271 63.100 0.132 0.000 0.868 183 P CB -0.061 31.706 31.700 0.111 0.000 0.788 184 L N 0.061 121.392 121.223 0.181 0.000 2.056 184 L HA -0.020 4.322 4.340 0.002 0.000 0.207 184 L C 2.540 179.517 176.870 0.179 0.000 1.078 184 L CA 1.968 56.881 54.840 0.122 0.000 0.749 184 L CB -1.678 40.426 42.059 0.074 0.000 0.901 184 L HN -0.096 nan 8.230 nan 0.000 0.433 185 A N -0.430 122.563 122.820 0.289 0.000 1.908 185 A HA -0.179 4.142 4.320 0.002 0.000 0.218 185 A C 2.455 180.327 177.584 0.481 0.000 1.181 185 A CA 2.078 54.361 52.037 0.408 0.000 0.627 185 A CB -1.202 18.016 19.000 0.362 0.000 0.818 185 A HN 0.578 nan 8.150 nan 0.000 0.445 186 A N -1.192 121.829 122.820 0.335 0.000 1.877 186 A HA -0.080 4.241 4.320 0.002 0.000 0.216 186 A C 2.315 179.916 177.584 0.028 0.000 1.186 186 A CA 2.310 54.327 52.037 -0.034 0.000 0.620 186 A CB -1.386 17.415 19.000 -0.332 0.000 0.822 186 A HN 0.428 nan 8.150 nan 0.000 0.443 187 T N 0.778 115.362 114.554 0.050 0.000 2.665 187 T HA -0.168 4.183 4.350 0.002 0.000 0.268 187 T C 1.780 176.519 174.700 0.066 0.000 1.035 187 T CA 1.732 63.847 62.100 0.025 0.000 1.151 187 T CB -0.485 68.378 68.868 -0.008 0.000 0.862 187 T HN 0.385 nan 8.240 nan 0.000 0.438 188 L N 0.592 121.895 121.223 0.133 0.000 2.141 188 L HA -0.014 4.328 4.340 0.002 0.000 0.209 188 L C 2.878 179.971 176.870 0.371 0.000 1.094 188 L CA 1.006 55.947 54.840 0.168 0.000 0.763 188 L CB -0.600 41.509 42.059 0.083 0.000 0.908 188 L HN 0.234 nan 8.230 nan 0.000 0.437 189 A N -0.428 122.634 122.820 0.404 0.000 2.167 189 A HA 0.213 4.534 4.320 0.002 0.000 0.214 189 A C 1.804 179.455 177.584 0.112 0.000 1.151 189 A CA 0.993 53.180 52.037 0.251 0.000 0.735 189 A CB -0.369 18.706 19.000 0.127 0.000 0.802 189 A HN 0.548 nan 8.150 nan 0.000 0.467 190 G N -2.762 106.086 108.800 0.080 0.000 2.163 190 G HA2 0.183 4.144 3.960 0.002 0.000 0.213 190 G HA3 0.183 4.144 3.960 0.002 0.000 0.213 190 G C 0.266 175.157 174.900 -0.015 0.000 0.991 190 G CA 0.173 45.289 45.100 0.027 0.000 0.653 190 G HN 1.523 nan 8.290 nan 0.000 0.518 191 A N -0.771 122.023 122.820 -0.043 0.000 2.306 191 A HA 0.765 5.087 4.320 0.002 0.000 0.330 191 A C 0.856 178.411 177.584 -0.047 0.000 1.146 191 A CA 0.196 52.187 52.037 -0.076 0.000 0.827 191 A CB 0.954 19.847 19.000 -0.178 0.000 1.178 191 A HN 0.953 nan 8.150 nan 0.000 0.490 192 C N 0.979 120.282 119.300 0.006 0.000 2.563 192 C HA 0.739 5.200 4.460 0.002 0.000 0.358 192 C C 0.987 176.012 174.990 0.059 0.000 1.336 192 C CA 0.234 59.280 59.018 0.046 0.000 2.454 192 C CB 0.442 28.240 27.740 0.096 0.000 2.448 192 C HN 1.063 nan 8.230 nan 0.000 0.670 193 S N 0.552 116.295 115.700 0.073 0.000 2.537 193 S HA 0.665 5.137 4.470 0.002 0.000 0.270 193 S C -1.451 173.217 174.600 0.114 0.000 1.142 193 S CA -0.675 57.581 58.200 0.092 0.000 0.870 193 S CB 1.227 64.418 63.200 -0.015 0.000 1.112 193 S HN 0.624 nan 8.310 nan 0.000 0.466 194 L N 2.293 123.623 121.223 0.179 0.000 2.325 194 L HA 0.622 4.963 4.340 0.002 0.000 0.281 194 L C -1.277 175.654 176.870 0.101 0.000 1.004 194 L CA -0.422 54.492 54.840 0.123 0.000 0.823 194 L CB 1.104 43.256 42.059 0.155 0.000 1.236 194 L HN 0.844 nan 8.230 nan 0.000 0.415 195 N N 7.008 125.751 118.700 0.072 0.000 2.524 195 N HA 0.342 5.084 4.740 0.002 0.000 0.261 195 N C -1.014 174.531 175.510 0.058 0.000 0.998 195 N CA -0.564 52.526 53.050 0.067 0.000 0.915 195 N CB 1.948 40.477 38.487 0.070 0.000 1.187 195 N HN 0.413 nan 8.380 nan 0.000 0.507 196 I N 1.657 122.257 120.570 0.050 0.000 2.416 196 I HA 0.209 4.380 4.170 0.002 0.000 0.288 196 I C 0.605 176.740 176.117 0.030 0.000 1.051 196 I CA 0.026 61.344 61.300 0.031 0.000 1.375 196 I CB 0.333 38.335 38.000 0.003 0.000 1.407 196 I HN 0.499 nan 8.210 nan 0.000 0.516 197 E N 3.565 123.787 120.200 0.037 0.000 2.290 197 E HA 0.381 4.732 4.350 0.002 0.000 0.274 197 E C -0.348 176.295 176.600 0.072 0.000 0.889 197 E CA -0.373 56.050 56.400 0.039 0.000 0.760 197 E CB 1.898 31.628 29.700 0.049 0.000 1.206 197 E HN 0.400 nan 8.360 nan 0.000 0.419 198 S N 2.638 118.345 115.700 0.013 0.000 2.446 198 S HA 0.045 4.517 4.470 0.002 0.000 0.225 198 S C -0.019 174.667 174.600 0.144 0.000 1.016 198 S CA 0.463 58.681 58.200 0.030 0.000 0.943 198 S CB 0.049 63.279 63.200 0.051 0.000 0.786 198 S HN 0.496 nan 8.310 nan 0.000 0.508 199 Q N 0.674 120.464 119.800 -0.017 0.000 2.307 199 Q HA 0.318 4.660 4.340 0.002 0.000 0.262 199 Q C 0.283 176.235 176.000 -0.079 0.000 0.961 199 Q CA -0.407 55.339 55.803 -0.095 0.000 0.882 199 Q CB 1.453 29.937 28.738 -0.424 0.000 1.264 199 Q HN 0.002 nan 8.270 nan 0.000 0.446 200 Q N 1.593 121.265 119.800 -0.212 0.000 2.135 200 Q HA -0.209 4.133 4.340 0.002 0.000 0.204 200 Q C 1.830 177.755 176.000 -0.126 0.000 0.981 200 Q CA 2.538 58.164 55.803 -0.295 0.000 0.856 200 Q CB -0.067 28.433 28.738 -0.396 0.000 0.902 200 Q HN 0.784 nan 8.270 nan 0.000 0.425 201 S N -0.609 115.032 115.700 -0.097 0.000 2.400 201 S HA -0.149 4.322 4.470 0.002 0.000 0.232 201 S C 1.781 176.393 174.600 0.020 0.000 1.025 201 S CA 0.817 58.989 58.200 -0.046 0.000 0.993 201 S CB -0.232 62.938 63.200 -0.050 0.000 0.808 201 S HN 0.285 nan 8.310 nan 0.000 0.478 202 R N 1.296 121.798 120.500 0.003 0.000 2.075 202 R HA 0.282 4.624 4.340 0.002 0.000 0.226 202 R C 2.331 178.686 176.300 0.092 0.000 1.114 202 R CA 1.087 57.231 56.100 0.073 0.000 0.972 202 R CB -1.178 29.116 30.300 -0.010 0.000 0.869 202 R HN 0.526 nan 8.270 nan 0.000 0.437 203 I N 1.410 122.004 120.570 0.041 0.000 2.208 203 I HA -0.287 3.885 4.170 0.002 0.000 0.245 203 I C 1.612 177.774 176.117 0.076 0.000 1.097 203 I CA 1.477 62.806 61.300 0.049 0.000 1.363 203 I CB -0.438 37.572 38.000 0.017 0.000 1.051 203 I HN 0.032 nan 8.210 nan 0.000 0.413 204 D N 0.731 121.167 120.400 0.061 0.000 2.123 204 D HA -0.208 4.433 4.640 0.002 0.000 0.196 204 D C 1.978 178.375 176.300 0.160 0.000 0.992 204 D CA 1.270 55.311 54.000 0.068 0.000 0.833 204 D CB -0.408 40.401 40.800 0.015 0.000 0.954 204 D HN 0.178 nan 8.370 nan 0.000 0.455 205 F N 1.672 121.631 119.950 0.015 0.000 2.095 205 F HA -0.144 4.384 4.527 0.002 0.000 0.298 205 F C 2.242 178.080 175.800 0.063 0.000 1.104 205 F CA 1.148 59.170 58.000 0.037 0.000 1.232 205 F CB -0.378 38.642 39.000 0.033 0.000 0.987 205 F HN -0.192 nan 8.300 nan 0.000 0.475 206 R N 0.092 120.733 120.500 0.236 0.000 2.096 206 R HA -0.108 4.233 4.340 0.002 0.000 0.235 206 R C 2.375 178.780 176.300 0.175 0.000 1.127 206 R CA 1.150 57.342 56.100 0.154 0.000 0.968 206 R CB -0.929 29.434 30.300 0.106 0.000 0.861 206 R HN 0.327 nan 8.270 nan 0.000 0.440 207 L N 0.069 121.377 121.223 0.141 0.000 2.027 207 L HA -0.169 4.173 4.340 0.002 0.000 0.206 207 L C 2.114 179.047 176.870 0.105 0.000 1.074 207 L CA 1.489 56.388 54.840 0.097 0.000 0.745 207 L CB -0.396 41.703 42.059 0.067 0.000 0.898 207 L HN 0.253 nan 8.230 nan 0.000 0.433 208 E N -0.470 119.819 120.200 0.148 0.000 2.118 208 E HA -0.210 4.142 4.350 0.002 0.000 0.195 208 E C 1.749 178.447 176.600 0.162 0.000 0.992 208 E CA 1.836 58.323 56.400 0.145 0.000 0.804 208 E CB -0.050 29.755 29.700 0.176 0.000 0.741 208 E HN 0.558 nan 8.360 nan 0.000 0.458 209 T N -2.334 112.358 114.554 0.229 0.000 3.122 209 T HA 0.224 4.575 4.350 0.002 0.000 0.250 209 T C 0.492 175.268 174.700 0.126 0.000 1.067 209 T CA -0.263 61.977 62.100 0.234 0.000 0.966 209 T CB 0.076 69.147 68.868 0.337 0.000 1.002 209 T HN 0.109 nan 8.240 nan 0.000 0.542 210 R N -1.176 119.358 120.500 0.056 0.000 3.878 210 R HA -0.204 4.137 4.340 0.002 0.000 0.330 210 R C -0.105 176.093 176.300 -0.170 0.000 1.186 210 R CA 0.953 57.008 56.100 -0.075 0.000 0.885 210 R CB -2.754 27.455 30.300 -0.152 0.000 1.377 210 R HN 0.488 nan 8.270 nan 0.000 0.523 211 Y N -1.023 119.266 120.300 -0.018 0.000 2.475 211 Y HA 0.214 4.765 4.550 0.002 0.000 0.289 211 Y C 1.248 177.147 175.900 -0.003 0.000 1.121 211 Y CA 0.967 59.056 58.100 -0.017 0.000 1.257 211 Y CB 0.911 39.356 38.460 -0.024 0.000 1.026 211 Y HN 0.075 nan 8.280 nan 0.000 0.555 212 V N -0.310 119.673 119.914 0.114 0.000 2.789 212 V HA 0.222 4.343 4.120 0.002 0.000 0.311 212 V C -0.210 175.897 176.094 0.022 0.000 1.073 212 V CA -0.648 61.692 62.300 0.067 0.000 0.921 212 V CB 1.916 33.788 31.823 0.081 0.000 1.009 212 V HN 0.010 nan 8.190 nan 0.000 0.426 213 D N 2.931 123.329 120.400 -0.004 0.000 2.137 213 D HA 0.074 4.715 4.640 0.002 0.000 0.202 213 D C 0.483 176.773 176.300 -0.017 0.000 0.970 213 D CA 1.306 55.285 54.000 -0.034 0.000 0.837 213 D CB 0.470 41.224 40.800 -0.076 0.000 0.981 213 D HN 0.872 nan 8.370 nan 0.000 0.475 214 E N -0.931 119.272 120.200 0.006 0.000 2.422 214 E HA 0.320 4.671 4.350 0.002 0.000 0.280 214 E C -1.341 175.279 176.600 0.033 0.000 1.091 214 E CA -0.878 55.533 56.400 0.019 0.000 0.849 214 E CB 1.522 31.237 29.700 0.025 0.000 1.353 214 E HN -0.163 nan 8.360 nan 0.000 0.449 215 Q N 0.897 120.715 119.800 0.031 0.000 2.340 215 Q HA 0.654 4.995 4.340 0.002 0.000 0.268 215 Q C -1.308 174.709 176.000 0.028 0.000 1.031 215 Q CA -0.670 55.152 55.803 0.032 0.000 0.804 215 Q CB 2.057 30.810 28.738 0.025 0.000 1.286 215 Q HN 0.690 nan 8.270 nan 0.000 0.448 216 A N 1.552 124.387 122.820 0.025 0.000 2.304 216 A HA 0.311 4.632 4.320 0.002 0.000 0.271 216 A C 0.986 178.579 177.584 0.014 0.000 1.091 216 A CA 0.206 52.248 52.037 0.009 0.000 0.812 216 A CB 0.560 19.554 19.000 -0.011 0.000 1.056 216 A HN 0.944 nan 8.150 nan 0.000 0.489 217 T N -1.972 112.584 114.554 0.004 0.000 2.985 217 T HA 0.221 4.573 4.350 0.002 0.000 0.266 217 T C 0.188 174.899 174.700 0.017 0.000 1.076 217 T CA 1.212 63.319 62.100 0.011 0.000 1.135 217 T CB -0.690 68.179 68.868 0.002 0.000 0.890 217 T HN 0.935 nan 8.240 nan 0.000 0.480 218 D N -1.463 118.939 120.400 0.004 0.000 2.764 218 D HA 0.283 4.924 4.640 0.002 0.000 0.293 218 D C 0.427 176.719 176.300 -0.015 0.000 1.287 218 D CA -0.815 53.186 54.000 0.002 0.000 0.768 218 D CB 0.435 41.234 40.800 -0.002 0.000 1.288 218 D HN -0.084 nan 8.370 nan 0.000 0.426 219 L N 0.526 121.740 121.223 -0.015 0.000 2.046 219 L HA -0.002 4.340 4.340 0.002 0.000 0.208 219 L C 1.204 178.047 176.870 -0.044 0.000 1.077 219 L CA 2.107 56.933 54.840 -0.023 0.000 0.747 219 L CB -0.921 41.132 42.059 -0.010 0.000 0.896 219 L HN 0.507 nan 8.230 nan 0.000 0.432 220 D N -0.420 119.956 120.400 -0.040 0.000 2.104 220 D HA -0.229 4.412 4.640 0.002 0.000 0.194 220 D C 1.843 178.096 176.300 -0.078 0.000 0.994 220 D CA 1.605 55.573 54.000 -0.053 0.000 0.830 220 D CB -0.269 40.507 40.800 -0.040 0.000 0.959 220 D HN 0.511 nan 8.370 nan 0.000 0.452 221 D N 0.283 120.642 120.400 -0.068 0.000 2.097 221 D HA -0.106 4.536 4.640 0.002 0.000 0.195 221 D C 1.956 178.185 176.300 -0.118 0.000 0.989 221 D CA 1.795 55.746 54.000 -0.082 0.000 0.827 221 D CB -0.167 40.601 40.800 -0.053 0.000 0.966 221 D HN 0.086 nan 8.370 nan 0.000 0.456 222 A N 0.199 122.957 122.820 -0.103 0.000 1.917 222 A HA -0.162 4.159 4.320 0.002 0.000 0.219 222 A C 2.482 179.926 177.584 -0.233 0.000 1.182 222 A CA 1.558 53.515 52.037 -0.134 0.000 0.633 222 A CB -0.970 17.977 19.000 -0.089 0.000 0.819 222 A HN 0.403 nan 8.150 nan 0.000 0.448 223 L N -0.737 120.354 121.223 -0.221 0.000 2.093 223 L HA -0.141 4.201 4.340 0.002 0.000 0.208 223 L C 2.522 179.212 176.870 -0.300 0.000 1.085 223 L CA 0.921 55.586 54.840 -0.292 0.000 0.755 223 L CB -0.642 41.305 42.059 -0.187 0.000 0.904 223 L HN 0.244 nan 8.230 nan 0.000 0.435 224 V N 0.080 119.854 119.914 -0.234 0.000 2.287 224 V HA -0.317 3.804 4.120 0.002 0.000 0.248 224 V C 2.665 178.547 176.094 -0.353 0.000 1.053 224 V CA 1.888 64.045 62.300 -0.238 0.000 1.027 224 V CB -0.639 31.078 31.823 -0.176 0.000 0.646 224 V HN 0.417 nan 8.190 nan 0.000 0.447 225 R N -0.534 119.719 120.500 -0.411 0.000 2.083 225 R HA -0.133 4.208 4.340 0.002 0.000 0.237 225 R C 2.289 178.095 176.300 -0.823 0.000 1.137 225 R CA 1.575 57.246 56.100 -0.715 0.000 0.951 225 R CB -0.436 29.570 30.300 -0.491 0.000 0.851 225 R HN 0.348 nan 8.270 nan 0.000 0.434 226 I N 0.887 121.127 120.570 -0.550 0.000 2.163 226 I HA -0.278 3.894 4.170 0.002 0.000 0.243 226 I C 2.537 178.363 176.117 -0.485 0.000 1.085 226 I CA 1.622 62.584 61.300 -0.563 0.000 1.347 226 I CB -1.303 36.134 38.000 -0.937 0.000 1.044 226 I HN 0.205 nan 8.210 nan 0.000 0.408 227 A N 0.599 123.161 122.820 -0.431 0.000 1.902 227 A HA -0.265 4.056 4.320 0.002 0.000 0.217 227 A C 2.476 179.926 177.584 -0.225 0.000 1.181 227 A CA 2.072 53.941 52.037 -0.281 0.000 0.623 227 A CB -0.587 18.281 19.000 -0.220 0.000 0.818 227 A HN 0.440 nan 8.150 nan 0.000 0.443 228 K N -1.543 118.675 120.400 -0.304 0.000 2.002 228 K HA -0.192 4.130 4.320 0.002 0.000 0.209 228 K C 1.886 178.423 176.600 -0.106 0.000 1.048 228 K CA 1.829 57.971 56.287 -0.242 0.000 0.930 228 K CB -0.409 31.878 32.500 -0.355 0.000 0.714 228 K HN 0.451 nan 8.250 nan 0.000 0.438 229 Y N 1.508 121.744 120.300 -0.106 0.000 2.200 229 Y HA -0.156 4.396 4.550 0.002 0.000 0.290 229 Y C 2.802 178.656 175.900 -0.078 0.000 1.137 229 Y CA 1.542 59.590 58.100 -0.088 0.000 1.163 229 Y CB -1.408 36.996 38.460 -0.094 0.000 0.988 229 Y HN 0.342 nan 8.280 nan 0.000 0.518 230 T N -1.918 112.662 114.554 0.044 0.000 2.746 230 T HA -0.152 4.200 4.350 0.002 0.000 0.267 230 T C 2.216 176.920 174.700 0.008 0.000 1.039 230 T CA 1.202 63.313 62.100 0.018 0.000 1.142 230 T CB -0.871 67.997 68.868 -0.001 0.000 0.866 230 T HN 0.267 nan 8.240 nan 0.000 0.444 231 A N 1.879 124.691 122.820 -0.012 0.000 1.933 231 A HA -0.078 4.243 4.320 0.002 0.000 0.218 231 A C 2.196 179.781 177.584 0.003 0.000 1.175 231 A CA 1.547 53.577 52.037 -0.011 0.000 0.628 231 A CB -0.653 18.330 19.000 -0.029 0.000 0.814 231 A HN 0.670 nan 8.150 nan 0.000 0.444 232 E N -1.617 118.595 120.200 0.021 0.000 2.481 232 E HA 0.229 4.581 4.350 0.002 0.000 0.195 232 E C 1.109 177.719 176.600 0.017 0.000 1.047 232 E CA 0.262 56.678 56.400 0.026 0.000 0.867 232 E CB -0.124 29.609 29.700 0.055 0.000 0.858 232 E HN 0.738 nan 8.360 nan 0.000 0.513 233 G N 2.102 110.911 108.800 0.016 0.000 2.153 233 G HA2 -0.327 3.634 3.960 0.002 0.000 0.252 233 G HA3 -0.327 3.634 3.960 0.002 0.000 0.252 233 G C 0.057 174.955 174.900 -0.003 0.000 0.994 233 G CA 0.422 45.525 45.100 0.004 0.000 0.698 233 G HN 0.162 nan 8.290 nan 0.000 0.521 234 K N -0.168 120.234 120.400 0.003 0.000 2.107 234 K HA 0.674 4.995 4.320 0.002 0.000 0.251 234 K C 0.393 176.970 176.600 -0.038 0.000 1.012 234 K CA 0.126 56.391 56.287 -0.037 0.000 0.920 234 K CB 1.272 33.724 32.500 -0.080 0.000 1.033 234 K HN 0.557 nan 8.250 nan 0.000 0.478 235 A N 3.013 125.790 122.820 -0.072 0.000 2.664 235 A HA 0.410 4.731 4.320 0.002 0.000 0.338 235 A C -0.653 176.873 177.584 -0.098 0.000 1.280 235 A CA -0.545 51.458 52.037 -0.058 0.000 0.809 235 A CB -0.259 18.718 19.000 -0.038 0.000 1.114 235 A HN 0.596 nan 8.150 nan 0.000 0.479 236 I N 1.976 122.476 120.570 -0.117 0.000 2.465 236 I HA 0.329 4.501 4.170 0.002 0.000 0.291 236 I C 0.440 176.523 176.117 -0.057 0.000 1.014 236 I CA -0.545 60.646 61.300 -0.182 0.000 1.093 236 I CB 2.500 40.183 38.000 -0.529 0.000 1.267 236 I HN 0.588 nan 8.210 nan 0.000 0.431 237 S N 6.846 122.521 115.700 -0.042 0.000 2.525 237 S HA 0.729 5.201 4.470 0.002 0.000 0.278 237 S C -0.634 173.984 174.600 0.031 0.000 1.234 237 S CA -0.616 57.590 58.200 0.011 0.000 1.058 237 S CB 1.072 64.284 63.200 0.021 0.000 0.983 237 S HN 0.440 nan 8.310 nan 0.000 0.495 238 I N 2.326 122.928 120.570 0.053 0.000 2.418 238 I HA 0.553 4.725 4.170 0.002 0.000 0.287 238 I C 0.205 176.352 176.117 0.049 0.000 1.008 238 I CA -0.854 60.480 61.300 0.057 0.000 1.104 238 I CB 1.789 39.823 38.000 0.056 0.000 1.264 238 I HN 0.863 nan 8.210 nan 0.000 0.438 239 A N 6.571 129.420 122.820 0.049 0.000 2.310 239 A HA 0.802 5.123 4.320 0.002 0.000 0.299 239 A C -1.006 176.608 177.584 0.051 0.000 1.147 239 A CA -0.361 51.708 52.037 0.052 0.000 0.818 239 A CB 1.055 20.087 19.000 0.054 0.000 1.096 239 A HN 0.613 nan 8.150 nan 0.000 0.495 240 L N 2.196 123.454 121.223 0.058 0.000 2.406 240 L HA 0.308 4.649 4.340 0.002 0.000 0.272 240 L C -0.238 176.693 176.870 0.100 0.000 0.980 240 L CA -0.200 54.678 54.840 0.063 0.000 0.831 240 L CB 1.464 43.543 42.059 0.034 0.000 1.253 240 L HN 0.845 nan 8.230 nan 0.000 0.406 241 H N 4.740 123.811 119.070 0.001 0.000 2.955 241 H HA 0.572 5.129 4.556 0.002 0.000 0.290 241 H C -0.126 175.202 175.328 -0.000 0.000 1.047 241 H CA 0.719 56.767 56.048 -0.001 0.000 1.484 241 H CB 0.517 30.281 29.762 0.003 0.000 1.501 241 H HN 0.917 nan 8.280 nan 0.000 0.521 242 G N 3.950 112.608 108.800 -0.237 0.000 2.317 242 G HA2 -0.100 3.862 3.960 0.002 0.000 0.293 242 G HA3 -0.100 3.862 3.960 0.002 0.000 0.293 242 G C -1.707 173.096 174.900 -0.161 0.000 1.287 242 G CA -0.936 44.020 45.100 -0.241 0.000 0.850 242 G HN 0.602 nan 8.290 nan 0.000 0.515 243 N N 0.362 118.979 118.700 -0.139 0.000 2.424 243 N HA 0.532 5.273 4.740 0.002 0.000 0.271 243 N C 1.225 176.636 175.510 -0.164 0.000 0.985 243 N CA 0.277 53.238 53.050 -0.149 0.000 0.921 243 N CB 1.822 40.231 38.487 -0.130 0.000 1.149 243 N HN 0.834 nan 8.380 nan 0.000 0.492 244 A N 3.682 126.370 122.820 -0.220 0.000 1.940 244 A HA -0.089 4.232 4.320 0.002 0.000 0.219 244 A C 1.839 179.167 177.584 -0.426 0.000 1.176 244 A CA 1.941 53.795 52.037 -0.306 0.000 0.631 244 A CB -0.574 18.216 19.000 -0.351 0.000 0.814 244 A HN 0.732 nan 8.150 nan 0.000 0.446 245 A N -0.738 121.871 122.820 -0.351 0.000 2.168 245 A HA 0.021 4.342 4.320 0.002 0.000 0.215 245 A C 1.765 179.294 177.584 -0.092 0.000 1.152 245 A CA 1.281 53.208 52.037 -0.183 0.000 0.716 245 A CB -0.258 18.758 19.000 0.026 0.000 0.794 245 A HN 0.669 nan 8.150 nan 0.000 0.465 246 E N -0.618 119.523 120.200 -0.097 0.000 2.132 246 E HA 0.104 4.456 4.350 0.002 0.000 0.193 246 E C 1.619 178.193 176.600 -0.044 0.000 0.951 246 E CA 0.445 56.812 56.400 -0.055 0.000 0.843 246 E CB -0.079 29.592 29.700 -0.048 0.000 0.807 246 E HN 0.601 nan 8.360 nan 0.000 0.467 247 I N 0.915 121.453 120.570 -0.053 0.000 2.286 247 I HA -0.223 3.948 4.170 0.002 0.000 0.245 247 I C 2.055 178.192 176.117 0.033 0.000 1.104 247 I CA 0.678 61.971 61.300 -0.012 0.000 1.397 247 I CB 0.001 37.994 38.000 -0.012 0.000 1.072 247 I HN 0.066 nan 8.210 nan 0.000 0.417 248 L N 0.809 122.047 121.223 0.024 0.000 2.017 248 L HA -0.123 4.219 4.340 0.002 0.000 0.208 248 L C -0.380 176.528 176.870 0.062 0.000 1.073 248 L CA 2.350 57.275 54.840 0.142 0.000 0.745 248 L CB -1.876 40.297 42.059 0.190 0.000 0.894 248 L HN 0.139 nan 8.230 nan 0.000 0.432 249 P HA -0.173 nan 4.420 nan 0.000 0.218 249 P C 1.424 178.699 177.300 -0.042 0.000 1.149 249 P CA 0.976 64.043 63.100 -0.054 0.000 0.817 249 P CB 0.176 31.855 31.700 -0.034 0.000 0.785 250 E N -0.078 120.118 120.200 -0.005 0.000 2.106 250 E HA -0.126 4.226 4.350 0.002 0.000 0.192 250 E C 1.846 178.466 176.600 0.032 0.000 0.984 250 E CA 1.141 57.545 56.400 0.008 0.000 0.806 250 E CB -1.178 28.529 29.700 0.012 0.000 0.750 250 E HN 0.139 nan 8.360 nan 0.000 0.458 251 L N -0.611 120.663 121.223 0.086 0.000 2.093 251 L HA -0.112 4.229 4.340 0.002 0.000 0.208 251 L C 2.398 179.338 176.870 0.117 0.000 1.085 251 L CA 0.666 55.610 54.840 0.174 0.000 0.755 251 L CB -0.374 41.895 42.059 0.350 0.000 0.904 251 L HN 0.067 nan 8.230 nan 0.000 0.435 252 V N 0.252 120.113 119.914 -0.089 0.000 2.287 252 V HA -0.344 3.778 4.120 0.002 0.000 0.248 252 V C 2.587 178.614 176.094 -0.113 0.000 1.053 252 V CA 1.994 64.122 62.300 -0.288 0.000 1.027 252 V CB -0.539 30.991 31.823 -0.488 0.000 0.646 252 V HN 0.445 nan 8.190 nan 0.000 0.447 253 K N -0.083 120.275 120.400 -0.071 0.000 2.103 253 K HA -0.179 4.142 4.320 0.002 0.000 0.207 253 K C 2.257 178.852 176.600 -0.008 0.000 1.048 253 K CA 1.501 57.766 56.287 -0.037 0.000 0.930 253 K CB -0.099 32.385 32.500 -0.026 0.000 0.716 253 K HN 0.355 nan 8.250 nan 0.000 0.444 254 R N -1.074 119.434 120.500 0.014 0.000 2.299 254 R HA 0.013 4.355 4.340 0.002 0.000 0.197 254 R C 0.967 177.294 176.300 0.045 0.000 0.971 254 R CA 0.634 56.753 56.100 0.031 0.000 1.030 254 R CB 0.258 30.586 30.300 0.046 0.000 0.932 254 R HN 0.507 nan 8.270 nan 0.000 0.477 255 G N 0.905 109.735 108.800 0.050 0.000 2.143 255 G HA2 -0.248 3.713 3.960 0.002 0.000 0.248 255 G HA3 -0.248 3.713 3.960 0.002 0.000 0.248 255 G C 0.174 175.146 174.900 0.120 0.000 0.991 255 G CA 0.064 45.203 45.100 0.066 0.000 0.689 255 G HN 0.146 nan 8.290 nan 0.000 0.522 256 V N 0.915 120.931 119.914 0.170 0.000 2.572 256 V HA 0.356 4.477 4.120 0.002 0.000 0.291 256 V C 1.085 177.360 176.094 0.301 0.000 1.039 256 V CA 0.243 62.687 62.300 0.240 0.000 1.055 256 V CB 1.384 33.369 31.823 0.271 0.000 0.969 256 V HN 0.412 nan 8.190 nan 0.000 0.482 257 R N 6.207 126.845 120.500 0.230 0.000 2.312 257 R HA 0.400 4.741 4.340 0.002 0.000 0.310 257 R C -2.650 173.570 176.300 -0.132 0.000 1.064 257 R CA -1.642 54.514 56.100 0.094 0.000 0.983 257 R CB 1.619 31.972 30.300 0.087 0.000 1.139 257 R HN 0.502 nan 8.270 nan 0.000 0.536 258 P HA 0.143 nan 4.420 nan 0.000 0.274 258 P C -0.314 176.450 177.300 -0.892 0.000 1.256 258 P CA -0.325 61.885 63.100 -1.484 0.000 0.795 258 P CB 0.951 31.671 31.700 -1.633 0.000 1.038 259 D N -0.768 119.065 120.400 -0.946 0.000 2.327 259 D HA 0.127 4.768 4.640 0.002 0.000 0.205 259 D C 0.545 176.699 176.300 -0.243 0.000 0.989 259 D CA 1.277 55.006 54.000 -0.452 0.000 0.873 259 D CB 0.345 40.822 40.800 -0.540 0.000 0.955 259 D HN 0.312 nan 8.370 nan 0.000 0.515 260 M N 0.480 119.834 119.600 -0.411 0.000 2.421 260 M HA 0.317 4.798 4.480 0.002 0.000 0.287 260 M C -1.510 174.521 176.300 -0.448 0.000 1.183 260 M CA -0.659 54.476 55.300 -0.275 0.000 0.916 260 M CB 3.836 36.379 32.600 -0.095 0.000 1.701 260 M HN -0.423 nan 8.290 nan 0.000 0.470 261 V N 0.870 120.522 119.914 -0.436 0.000 2.588 261 V HA 0.796 4.918 4.120 0.002 0.000 0.304 261 V C -0.347 175.393 176.094 -0.590 0.000 1.042 261 V CA -0.333 61.660 62.300 -0.512 0.000 0.877 261 V CB 2.018 33.508 31.823 -0.556 0.000 0.996 261 V HN 0.991 nan 8.190 nan 0.000 0.425 262 T N 2.642 116.891 114.554 -0.508 0.000 2.618 262 T HA 0.614 4.966 4.350 0.002 0.000 0.293 262 T C -2.192 172.393 174.700 -0.192 0.000 1.093 262 T CA -0.332 61.448 62.100 -0.534 0.000 1.061 262 T CB 2.089 70.388 68.868 -0.949 0.000 1.498 262 T HN 0.862 nan 8.240 nan 0.000 0.494 263 D N -0.167 120.195 120.400 -0.064 0.000 2.717 263 D HA 0.420 5.061 4.640 0.002 0.000 0.223 263 D C -1.199 175.196 176.300 0.157 0.000 1.240 263 D CA -0.233 53.814 54.000 0.077 0.000 0.801 263 D CB 1.804 42.636 40.800 0.052 0.000 1.556 263 D HN 0.383 nan 8.370 nan 0.000 0.462 264 Q N 2.063 121.977 119.800 0.191 0.000 2.248 264 Q HA 0.209 4.550 4.340 0.002 0.000 0.324 264 Q C -0.587 175.544 176.000 0.219 0.000 0.867 264 Q CA -0.394 55.543 55.803 0.222 0.000 1.101 264 Q CB 0.635 29.528 28.738 0.259 0.000 1.328 264 Q HN 0.710 nan 8.270 nan 0.000 0.408 265 T N -2.633 112.067 114.554 0.243 0.000 2.748 265 T HA 0.181 4.532 4.350 0.002 0.000 0.304 265 T C 0.735 175.623 174.700 0.313 0.000 1.041 265 T CA -0.367 61.889 62.100 0.259 0.000 1.033 265 T CB 1.294 70.344 68.868 0.304 0.000 0.995 265 T HN 0.022 nan 8.240 nan 0.000 0.536 266 S N 0.932 116.824 115.700 0.320 0.000 3.697 266 S HA 0.387 4.858 4.470 0.002 0.000 0.207 266 S C 1.672 176.392 174.600 0.200 0.000 1.459 266 S CA -0.273 58.137 58.200 0.350 0.000 1.122 266 S CB -1.017 62.375 63.200 0.320 0.000 1.311 266 S HN 0.824 nan 8.310 nan 0.000 0.487 267 A N 1.771 124.756 122.820 0.275 0.000 2.172 267 A HA -0.135 4.186 4.320 0.002 0.000 0.216 267 A C 1.873 179.468 177.584 0.019 0.000 1.154 267 A CA 1.061 53.165 52.037 0.111 0.000 0.701 267 A CB -0.642 18.378 19.000 0.034 0.000 0.789 267 A HN 0.877 nan 8.150 nan 0.000 0.465 268 H N -1.512 117.624 119.070 0.110 0.000 2.521 268 H HA -0.030 4.528 4.556 0.002 0.000 0.286 268 H C -0.554 174.904 175.328 0.216 0.000 1.034 268 H CA 1.316 57.458 56.048 0.156 0.000 1.278 268 H CB -0.025 29.870 29.762 0.222 0.000 1.386 268 H HN 0.399 nan 8.280 nan 0.000 0.567 269 D N 0.767 120.804 120.400 -0.606 0.000 2.405 269 D HA 0.222 4.864 4.640 0.002 0.000 0.264 269 D C -2.085 173.932 176.300 -0.472 0.000 1.240 269 D CA -2.393 51.137 54.000 -0.783 0.000 0.893 269 D CB 1.376 41.458 40.800 -1.196 0.000 1.198 269 D HN -0.051 nan 8.370 nan 0.000 0.514 270 P HA -0.137 nan 4.420 nan 0.000 0.217 270 P C 1.527 178.799 177.300 -0.045 0.000 1.148 270 P CA 0.393 63.424 63.100 -0.113 0.000 0.828 270 P CB 0.370 32.012 31.700 -0.098 0.000 0.783 271 L N -1.079 120.028 121.223 -0.193 0.000 2.141 271 L HA -0.026 4.316 4.340 0.002 0.000 0.209 271 L C 1.500 178.224 176.870 -0.243 0.000 1.094 271 L CA 2.009 56.743 54.840 -0.177 0.000 0.763 271 L CB -0.742 41.177 42.059 -0.233 0.000 0.908 271 L HN -0.085 nan 8.230 nan 0.000 0.437 272 N N -1.483 117.077 118.700 -0.233 0.000 2.460 272 N HA 0.161 4.902 4.740 0.002 0.000 0.193 272 N C 1.432 177.007 175.510 0.110 0.000 1.080 272 N CA 0.939 53.875 53.050 -0.189 0.000 0.869 272 N CB 0.327 38.681 38.487 -0.221 0.000 1.201 272 N HN 0.363 nan 8.380 nan 0.000 0.457 273 G N -1.213 107.667 108.800 0.133 0.000 3.324 273 G HA2 0.099 4.061 3.960 0.002 0.000 0.251 273 G HA3 0.099 4.061 3.960 0.002 0.000 0.251 273 G C -0.669 174.442 174.900 0.350 0.000 1.072 273 G CA 0.075 45.334 45.100 0.264 0.000 0.787 273 G HN 0.188 nan 8.290 nan 0.000 0.537 274 Y N 0.493 120.869 120.300 0.127 0.000 2.315 274 Y HA 0.529 5.080 4.550 0.002 0.000 0.324 274 Y C -1.045 174.537 175.900 -0.530 0.000 1.062 274 Y CA -1.310 56.749 58.100 -0.068 0.000 1.159 274 Y CB 1.685 40.104 38.460 -0.069 0.000 1.145 274 Y HN -0.059 nan 8.280 nan 0.000 0.442 275 L N 9.450 130.247 121.223 -0.710 0.000 2.361 275 L HA 0.500 4.842 4.340 0.002 0.000 0.278 275 L C -2.528 173.988 176.870 -0.590 0.000 1.113 275 L CA -1.721 52.613 54.840 -0.843 0.000 0.849 275 L CB 0.283 42.174 42.059 -0.281 0.000 1.155 275 L HN 0.416 nan 8.230 nan 0.000 0.452 276 P HA 0.123 nan 4.420 nan 0.000 0.272 276 P C -0.319 176.763 177.300 -0.363 0.000 1.223 276 P CA -0.183 62.559 63.100 -0.597 0.000 0.784 276 P CB 0.415 31.302 31.700 -1.354 0.000 0.923 277 I N 1.593 122.043 120.570 -0.199 0.000 2.826 277 I HA -0.027 4.145 4.170 0.002 0.000 0.295 277 I C 1.675 177.827 176.117 0.059 0.000 1.213 277 I CA 1.419 62.684 61.300 -0.060 0.000 1.436 277 I CB -0.813 37.172 38.000 -0.025 0.000 1.348 277 I HN 0.752 nan 8.210 nan 0.000 0.570 278 G N 4.340 113.211 108.800 0.119 0.000 2.179 278 G HA2 -0.241 3.721 3.960 0.002 0.000 0.260 278 G HA3 -0.241 3.721 3.960 0.002 0.000 0.260 278 G C -0.405 174.712 174.900 0.361 0.000 0.977 278 G CA -0.470 44.758 45.100 0.213 0.000 0.641 278 G HN 0.529 nan 8.290 nan 0.000 0.533 279 W N 1.351 122.634 121.300 -0.028 0.000 2.570 279 W HA 0.687 5.348 4.660 0.002 0.000 0.337 279 W C 0.936 177.458 176.519 0.004 0.000 1.067 279 W CA -0.401 56.934 57.345 -0.017 0.000 1.229 279 W CB 0.897 30.333 29.460 -0.041 0.000 1.355 279 W HN 0.412 nan 8.180 nan 0.000 0.555 280 T N -1.035 113.655 114.554 0.226 0.000 2.899 280 T HA 0.042 4.393 4.350 0.002 0.000 0.284 280 T C 0.853 175.731 174.700 0.296 0.000 1.004 280 T CA -0.522 61.709 62.100 0.219 0.000 1.043 280 T CB 1.178 70.139 68.868 0.154 0.000 1.013 280 T HN 0.614 nan 8.240 nan 0.000 0.518 281 W N 1.343 122.748 121.300 0.174 0.000 2.342 281 W HA -0.171 4.490 4.660 0.002 0.000 0.297 281 W C 1.435 178.091 176.519 0.228 0.000 1.213 281 W CA 1.870 59.355 57.345 0.233 0.000 1.251 281 W CB -0.168 29.404 29.460 0.185 0.000 1.136 281 W HN 0.874 nan 8.180 nan 0.000 0.526 282 E N 0.089 120.452 120.200 0.272 0.000 2.077 282 E HA -0.253 4.099 4.350 0.002 0.000 0.193 282 E C 2.107 178.730 176.600 0.039 0.000 0.989 282 E CA 1.834 58.318 56.400 0.140 0.000 0.800 282 E CB -0.748 29.027 29.700 0.125 0.000 0.746 282 E HN 0.399 nan 8.360 nan 0.000 0.452 283 Q N -0.715 119.107 119.800 0.037 0.000 2.079 283 Q HA -0.153 4.188 4.340 0.002 0.000 0.200 283 Q C 1.939 177.946 176.000 0.012 0.000 0.974 283 Q CA 1.363 57.128 55.803 -0.063 0.000 0.840 283 Q CB -0.291 28.329 28.738 -0.196 0.000 0.898 283 Q HN 0.450 nan 8.270 nan 0.000 0.430 284 Y N 1.226 121.537 120.300 0.018 0.000 2.081 284 Y HA -0.301 4.250 4.550 0.002 0.000 0.280 284 Y C 2.222 178.047 175.900 -0.126 0.000 1.163 284 Y CA 1.136 59.279 58.100 0.072 0.000 1.135 284 Y CB 0.229 38.552 38.460 -0.228 0.000 0.970 284 Y HN -0.018 nan 8.280 nan 0.000 0.498 285 R N 0.543 120.834 120.500 -0.348 0.000 2.092 285 R HA -0.132 4.209 4.340 0.002 0.000 0.231 285 R C 1.675 177.866 176.300 -0.183 0.000 1.119 285 R CA 1.442 57.328 56.100 -0.355 0.000 0.970 285 R CB -0.866 29.302 30.300 -0.219 0.000 0.864 285 R HN 0.497 nan 8.270 nan 0.000 0.440 286 D N 0.595 120.930 120.400 -0.109 0.000 2.084 286 D HA -0.117 4.525 4.640 0.002 0.000 0.194 286 D C 2.080 178.334 176.300 -0.076 0.000 0.990 286 D CA 1.185 55.138 54.000 -0.079 0.000 0.826 286 D CB -0.165 40.594 40.800 -0.069 0.000 0.971 286 D HN 0.161 nan 8.370 nan 0.000 0.453 287 R N 0.690 121.149 120.500 -0.068 0.000 2.120 287 R HA 0.007 4.348 4.340 0.002 0.000 0.234 287 R C 2.280 178.579 176.300 -0.002 0.000 1.123 287 R CA 1.022 57.109 56.100 -0.023 0.000 0.975 287 R CB -0.264 30.033 30.300 -0.005 0.000 0.866 287 R HN 0.085 nan 8.270 nan 0.000 0.446 288 A N 1.139 123.916 122.820 -0.072 0.000 1.986 288 A HA -0.241 4.080 4.320 0.002 0.000 0.220 288 A C 1.920 179.455 177.584 -0.081 0.000 1.171 288 A CA 1.391 53.350 52.037 -0.130 0.000 0.640 288 A CB -0.305 18.503 19.000 -0.321 0.000 0.811 288 A HN 0.373 nan 8.150 nan 0.000 0.451 289 Q N -1.369 118.389 119.800 -0.070 0.000 2.269 289 Q HA -0.060 4.281 4.340 0.002 0.000 0.201 289 Q C 2.088 178.075 176.000 -0.023 0.000 0.946 289 Q CA 1.582 57.359 55.803 -0.044 0.000 0.877 289 Q CB 0.021 28.733 28.738 -0.043 0.000 0.963 289 Q HN 0.905 nan 8.270 nan 0.000 0.472 290 T N -1.950 112.593 114.554 -0.019 0.000 3.038 290 T HA 0.159 4.510 4.350 0.002 0.000 0.244 290 T C 1.149 175.853 174.700 0.006 0.000 1.016 290 T CA -0.134 61.961 62.100 -0.009 0.000 1.098 290 T CB 0.068 68.925 68.868 -0.018 0.000 0.954 290 T HN 0.259 nan 8.240 nan 0.000 0.469 291 I N -0.711 119.870 120.570 0.019 0.000 2.956 291 I HA 0.469 4.640 4.170 0.002 0.000 0.311 291 I C -2.281 173.872 176.117 0.060 0.000 1.436 291 I CA -2.572 58.753 61.300 0.043 0.000 0.872 291 I CB 1.359 39.392 38.000 0.055 0.000 2.099 291 I HN -0.179 nan 8.210 nan 0.000 0.624 292 P HA -0.217 nan 4.420 nan 0.000 0.218 292 P C 1.685 179.012 177.300 0.045 0.000 1.148 292 P CA 2.014 65.131 63.100 0.029 0.000 0.822 292 P CB 0.404 32.112 31.700 0.014 0.000 0.784 293 A N 0.766 123.617 122.820 0.051 0.000 1.877 293 A HA -0.095 4.226 4.320 0.002 0.000 0.216 293 A C 2.535 180.157 177.584 0.062 0.000 1.186 293 A CA 2.400 54.469 52.037 0.053 0.000 0.620 293 A CB -1.569 17.462 19.000 0.051 0.000 0.822 293 A HN 0.240 nan 8.150 nan 0.000 0.443 294 A N -0.607 122.264 122.820 0.085 0.000 1.902 294 A HA 0.010 4.331 4.320 0.002 0.000 0.217 294 A C 2.235 179.903 177.584 0.140 0.000 1.181 294 A CA 1.784 53.893 52.037 0.120 0.000 0.623 294 A CB -0.972 18.121 19.000 0.156 0.000 0.818 294 A HN 0.408 nan 8.150 nan 0.000 0.443 295 V N -0.315 119.698 119.914 0.166 0.000 2.287 295 V HA -0.251 3.870 4.120 0.002 0.000 0.248 295 V C 2.569 178.666 176.094 0.004 0.000 1.053 295 V CA 2.057 64.440 62.300 0.137 0.000 1.027 295 V CB -0.903 31.030 31.823 0.184 0.000 0.646 295 V HN 0.370 nan 8.190 nan 0.000 0.447 296 V N -0.355 119.569 119.914 0.016 0.000 2.332 296 V HA -0.298 3.823 4.120 0.002 0.000 0.248 296 V C 2.466 178.537 176.094 -0.037 0.000 1.055 296 V CA 2.111 64.403 62.300 -0.013 0.000 1.038 296 V CB -0.715 31.112 31.823 0.007 0.000 0.651 296 V HN 0.537 nan 8.190 nan 0.000 0.450 297 K N 0.044 120.434 120.400 -0.017 0.000 2.026 297 K HA -0.145 4.176 4.320 0.002 0.000 0.208 297 K C 2.341 178.898 176.600 -0.073 0.000 1.048 297 K CA 1.513 57.785 56.287 -0.024 0.000 0.929 297 K CB -0.449 32.058 32.500 0.012 0.000 0.713 297 K HN 0.473 nan 8.250 nan 0.000 0.439 298 A N 1.512 124.261 122.820 -0.118 0.000 1.902 298 A HA -0.155 4.166 4.320 0.002 0.000 0.217 298 A C 2.364 179.763 177.584 -0.308 0.000 1.181 298 A CA 1.991 53.873 52.037 -0.259 0.000 0.623 298 A CB -0.706 17.974 19.000 -0.532 0.000 0.818 298 A HN 0.360 nan 8.150 nan 0.000 0.443 299 A N -0.227 122.426 122.820 -0.278 0.000 1.873 299 A HA -0.145 4.176 4.320 0.002 0.000 0.215 299 A C 2.126 179.576 177.584 -0.223 0.000 1.186 299 A CA 1.777 53.699 52.037 -0.191 0.000 0.616 299 A CB -0.440 18.500 19.000 -0.100 0.000 0.823 299 A HN 0.535 nan 8.150 nan 0.000 0.442 300 K N -0.274 120.015 120.400 -0.185 0.000 2.097 300 K HA -0.024 4.297 4.320 0.002 0.000 0.205 300 K C 2.269 178.783 176.600 -0.144 0.000 1.050 300 K CA 1.026 57.205 56.287 -0.180 0.000 0.938 300 K CB -0.320 32.119 32.500 -0.103 0.000 0.718 300 K HN 0.432 nan 8.250 nan 0.000 0.442 301 A N 1.145 123.901 122.820 -0.105 0.000 1.933 301 A HA -0.159 4.163 4.320 0.002 0.000 0.218 301 A C 2.176 179.723 177.584 -0.062 0.000 1.175 301 A CA 1.851 53.846 52.037 -0.069 0.000 0.628 301 A CB -0.435 18.534 19.000 -0.051 0.000 0.814 301 A HN 0.174 nan 8.150 nan 0.000 0.444 302 S N -0.429 115.226 115.700 -0.075 0.000 2.387 302 S HA -0.098 4.374 4.470 0.002 0.000 0.226 302 S C 1.976 176.597 174.600 0.035 0.000 1.026 302 S CA 1.593 59.799 58.200 0.010 0.000 0.972 302 S CB -0.383 62.869 63.200 0.086 0.000 0.814 302 S HN 0.588 nan 8.310 nan 0.000 0.477 303 M N 1.398 120.883 119.600 -0.192 0.000 2.149 303 M HA -0.120 4.361 4.480 0.002 0.000 0.261 303 M C 2.514 178.767 176.300 -0.078 0.000 1.064 303 M CA 1.434 56.574 55.300 -0.267 0.000 1.102 303 M CB -0.651 31.638 32.600 -0.518 0.000 1.369 303 M HN 0.400 nan 8.290 nan 0.000 0.408 304 A N 0.075 122.853 122.820 -0.070 0.000 1.883 304 A HA -0.137 4.184 4.320 0.002 0.000 0.217 304 A C 2.261 179.858 177.584 0.022 0.000 1.186 304 A CA 1.960 53.981 52.037 -0.026 0.000 0.624 304 A CB -1.097 17.887 19.000 -0.026 0.000 0.822 304 A HN 0.304 nan 8.150 nan 0.000 0.444 305 V N -0.547 119.390 119.914 0.038 0.000 2.343 305 V HA -0.309 3.812 4.120 0.002 0.000 0.247 305 V C 2.419 178.584 176.094 0.119 0.000 1.051 305 V CA 2.381 64.714 62.300 0.056 0.000 1.036 305 V CB -1.057 30.790 31.823 0.040 0.000 0.654 305 V HN 0.846 nan 8.190 nan 0.000 0.451 306 H N -0.577 118.515 119.070 0.037 0.000 2.319 306 H HA -0.152 4.406 4.556 0.002 0.000 0.299 306 H C 2.250 177.616 175.328 0.063 0.000 1.092 306 H CA 1.784 57.876 56.048 0.074 0.000 1.302 306 H CB 0.202 30.050 29.762 0.142 0.000 1.373 306 H HN 0.240 nan 8.280 nan 0.000 0.497 307 V N 0.774 120.771 119.914 0.137 0.000 2.427 307 V HA -0.227 3.894 4.120 0.002 0.000 0.248 307 V C 2.431 178.600 176.094 0.125 0.000 1.051 307 V CA 1.823 64.184 62.300 0.102 0.000 1.048 307 V CB -0.523 31.330 31.823 0.050 0.000 0.666 307 V HN 0.483 nan 8.190 nan 0.000 0.456 308 Q N -0.270 119.579 119.800 0.082 0.000 2.112 308 Q HA -0.256 4.085 4.340 0.002 0.000 0.206 308 Q C 2.339 178.346 176.000 0.011 0.000 0.987 308 Q CA 2.168 57.998 55.803 0.046 0.000 0.858 308 Q CB -0.325 28.427 28.738 0.024 0.000 0.905 308 Q HN 0.684 nan 8.270 nan 0.000 0.420 309 A N 0.181 123.008 122.820 0.012 0.000 1.898 309 A HA -0.203 4.119 4.320 0.002 0.000 0.216 309 A C 2.011 179.548 177.584 -0.077 0.000 1.181 309 A CA 1.546 53.525 52.037 -0.096 0.000 0.620 309 A CB -0.517 18.462 19.000 -0.034 0.000 0.819 309 A HN 0.391 nan 8.150 nan 0.000 0.442 310 M N -0.599 119.055 119.600 0.090 0.000 2.108 310 M HA -0.145 4.336 4.480 0.002 0.000 0.261 310 M C 2.095 178.375 176.300 -0.034 0.000 1.066 310 M CA 1.468 56.788 55.300 0.033 0.000 1.107 310 M CB -0.583 31.882 32.600 -0.225 0.000 1.356 310 M HN 0.361 nan 8.290 nan 0.000 0.406 311 L N -0.202 121.055 121.223 0.056 0.000 2.083 311 L HA -0.233 4.109 4.340 0.002 0.000 0.209 311 L C 2.000 178.891 176.870 0.034 0.000 1.083 311 L CA 0.927 55.834 54.840 0.112 0.000 0.752 311 L CB -0.760 41.390 42.059 0.152 0.000 0.899 311 L HN 0.267 nan 8.230 nan 0.000 0.433 312 D N -0.249 120.120 120.400 -0.053 0.000 2.117 312 D HA -0.173 4.468 4.640 0.002 0.000 0.197 312 D C 2.090 178.317 176.300 -0.121 0.000 0.987 312 D CA 1.337 55.259 54.000 -0.130 0.000 0.829 312 D CB -0.162 40.486 40.800 -0.254 0.000 0.961 312 D HN 0.144 nan 8.370 nan 0.000 0.460 313 F N 1.219 121.137 119.950 -0.054 0.000 2.102 313 F HA -0.123 4.406 4.527 0.002 0.000 0.298 313 F C 2.629 178.384 175.800 -0.076 0.000 1.105 313 F CA 0.923 58.874 58.000 -0.081 0.000 1.239 313 F CB -0.733 38.186 39.000 -0.135 0.000 0.991 313 F HN -0.014 nan 8.300 nan 0.000 0.474 314 Q N 1.045 120.913 119.800 0.113 0.000 2.061 314 Q HA -0.281 4.060 4.340 0.002 0.000 0.204 314 Q C 2.171 178.211 176.000 0.066 0.000 0.984 314 Q CA 2.299 58.141 55.803 0.066 0.000 0.846 314 Q CB -0.168 28.618 28.738 0.081 0.000 0.902 314 Q HN 0.554 nan 8.270 nan 0.000 0.421 315 K N -0.591 119.844 120.400 0.059 0.000 2.209 315 K HA -0.141 4.181 4.320 0.002 0.000 0.204 315 K C 1.628 178.252 176.600 0.039 0.000 1.048 315 K CA 1.205 57.519 56.287 0.045 0.000 0.940 315 K CB 0.021 32.540 32.500 0.032 0.000 0.729 315 K HN 0.100 nan 8.250 nan 0.000 0.451 316 Q N 0.172 120.000 119.800 0.046 0.000 2.444 316 Q HA 0.073 4.414 4.340 0.002 0.000 0.206 316 Q C 0.970 177.001 176.000 0.051 0.000 0.948 316 Q CA 1.096 56.929 55.803 0.050 0.000 0.946 316 Q CB 0.794 29.573 28.738 0.067 0.000 1.027 316 Q HN 0.735 nan 8.270 nan 0.000 0.513 317 G N -0.246 108.582 108.800 0.046 0.000 2.163 317 G HA2 -0.223 3.738 3.960 0.002 0.000 0.213 317 G HA3 -0.223 3.738 3.960 0.002 0.000 0.213 317 G C 0.070 174.973 174.900 0.005 0.000 0.991 317 G CA 0.092 45.210 45.100 0.030 0.000 0.653 317 G HN 0.194 nan 8.290 nan 0.000 0.518 318 V N 2.040 121.957 119.914 0.006 0.000 2.488 318 V HA 0.366 4.487 4.120 0.002 0.000 0.277 318 V C -1.515 174.518 176.094 -0.103 0.000 1.046 318 V CA -1.315 60.951 62.300 -0.057 0.000 0.986 318 V CB 1.199 32.970 31.823 -0.087 0.000 0.989 318 V HN 0.116 nan 8.190 nan 0.000 0.475 319 P HA 0.127 nan 4.420 nan 0.000 0.262 319 P C -0.368 176.886 177.300 -0.076 0.000 1.199 319 P CA 0.575 63.519 63.100 -0.260 0.000 0.763 319 P CB 0.169 31.507 31.700 -0.603 0.000 0.790 320 T N 4.508 119.075 114.554 0.022 0.000 2.886 320 T HA 0.726 5.078 4.350 0.002 0.000 0.292 320 T C -0.615 174.186 174.700 0.169 0.000 1.012 320 T CA -0.334 61.700 62.100 -0.110 0.000 0.982 320 T CB 0.622 69.307 68.868 -0.305 0.000 1.018 320 T HN 0.246 nan 8.240 nan 0.000 0.451 321 F N -0.292 119.694 119.950 0.060 0.000 2.645 321 F HA 0.666 5.194 4.527 0.002 0.000 0.310 321 F C -1.016 175.033 175.800 0.416 0.000 1.102 321 F CA -1.284 56.932 58.000 0.360 0.000 0.952 321 F CB 1.168 40.440 39.000 0.452 0.000 1.326 321 F HN 0.364 nan 8.300 nan 0.000 0.456 322 D N 1.208 122.073 120.400 0.775 0.000 2.277 322 D HA 0.073 4.714 4.640 0.002 0.000 0.249 322 D C -1.168 175.553 176.300 0.701 0.000 1.134 322 D CA 0.034 54.384 54.000 0.583 0.000 0.863 322 D CB 1.049 42.074 40.800 0.375 0.000 1.143 322 D HN 0.823 nan 8.370 nan 0.000 0.458 323 Y N 2.502 122.996 120.300 0.324 0.000 2.801 323 Y HA 0.299 4.851 4.550 0.002 0.000 0.318 323 Y C 1.126 177.111 175.900 0.141 0.000 1.073 323 Y CA 0.146 58.352 58.100 0.177 0.000 1.360 323 Y CB -0.018 38.446 38.460 0.007 0.000 1.220 323 Y HN 0.722 nan 8.280 nan 0.000 0.536 324 G N 1.754 110.683 108.800 0.215 0.000 2.171 324 G HA2 -0.343 3.619 3.960 0.002 0.000 0.238 324 G HA3 -0.343 3.619 3.960 0.002 0.000 0.238 324 G C 0.162 175.129 174.900 0.111 0.000 1.039 324 G CA 0.429 45.641 45.100 0.186 0.000 0.759 324 G HN 0.613 nan 8.290 nan 0.000 0.501 325 N N -0.005 118.775 118.700 0.132 0.000 2.204 325 N HA 0.154 4.895 4.740 0.002 0.000 0.219 325 N C 0.787 176.379 175.510 0.137 0.000 1.151 325 N CA -0.080 53.070 53.050 0.166 0.000 0.867 325 N CB -0.103 38.508 38.487 0.207 0.000 1.043 325 N HN 0.297 nan 8.380 nan 0.000 0.516 326 N N 0.049 118.789 118.700 0.067 0.000 2.753 326 N HA -0.211 4.531 4.740 0.002 0.000 0.251 326 N C 0.462 175.909 175.510 -0.105 0.000 1.097 326 N CA 0.723 53.745 53.050 -0.046 0.000 0.786 326 N CB -1.684 36.730 38.487 -0.121 0.000 1.137 326 N HN 0.581 nan 8.380 nan 0.000 0.566 327 I N 0.018 120.544 120.570 -0.074 0.000 2.264 327 I HA -0.272 3.900 4.170 0.002 0.000 0.248 327 I C 2.176 178.159 176.117 -0.224 0.000 1.111 327 I CA 1.374 62.590 61.300 -0.140 0.000 1.382 327 I CB 0.003 37.930 38.000 -0.122 0.000 1.060 327 I HN 0.258 nan 8.210 nan 0.000 0.418 328 R N -0.098 120.199 120.500 -0.338 0.000 2.081 328 R HA -0.256 4.085 4.340 0.002 0.000 0.235 328 R C 2.274 178.256 176.300 -0.530 0.000 1.131 328 R CA 1.773 57.477 56.100 -0.659 0.000 0.960 328 R CB -0.415 29.073 30.300 -1.353 0.000 0.856 328 R HN 0.383 nan 8.270 nan 0.000 0.436 329 Q N 0.476 120.109 119.800 -0.278 0.000 2.050 329 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 329 Q C 1.982 177.960 176.000 -0.037 0.000 0.980 329 Q CA 1.669 57.486 55.803 0.024 0.000 0.840 329 Q CB 0.012 28.679 28.738 -0.119 0.000 0.898 329 Q HN 0.156 nan 8.270 nan 0.000 0.424 330 M N -0.292 119.237 119.600 -0.119 0.000 2.108 330 M HA -0.100 4.381 4.480 0.002 0.000 0.261 330 M C 2.200 178.448 176.300 -0.087 0.000 1.066 330 M CA 1.745 56.986 55.300 -0.099 0.000 1.107 330 M CB -1.522 30.985 32.600 -0.153 0.000 1.356 330 M HN 0.389 nan 8.290 nan 0.000 0.406 331 A N 0.209 122.958 122.820 -0.118 0.000 1.877 331 A HA -0.198 4.124 4.320 0.002 0.000 0.216 331 A C 2.351 179.913 177.584 -0.036 0.000 1.186 331 A CA 1.992 53.976 52.037 -0.088 0.000 0.620 331 A CB -0.704 18.232 19.000 -0.107 0.000 0.822 331 A HN 0.494 nan 8.150 nan 0.000 0.443 332 K N -0.154 120.238 120.400 -0.014 0.000 2.063 332 K HA -0.214 4.107 4.320 0.002 0.000 0.208 332 K C 1.855 178.493 176.600 0.063 0.000 1.048 332 K CA 1.836 58.164 56.287 0.070 0.000 0.928 332 K CB -0.214 32.421 32.500 0.225 0.000 0.713 332 K HN 0.629 nan 8.250 nan 0.000 0.442 333 E N -0.038 120.197 120.200 0.059 0.000 2.204 333 E HA -0.148 4.203 4.350 0.002 0.000 0.195 333 E C 1.198 177.816 176.600 0.029 0.000 0.990 333 E CA 0.754 57.187 56.400 0.054 0.000 0.821 333 E CB 0.181 29.919 29.700 0.064 0.000 0.750 333 E HN 0.265 nan 8.360 nan 0.000 0.477 334 E N -0.831 119.375 120.200 0.011 0.000 2.463 334 E HA 0.079 4.431 4.350 0.002 0.000 0.193 334 E C 0.948 177.552 176.600 0.007 0.000 1.041 334 E CA 0.427 56.828 56.400 0.002 0.000 0.879 334 E CB 1.088 30.777 29.700 -0.019 0.000 0.997 334 E HN 0.352 nan 8.360 nan 0.000 0.478 335 G N 0.336 109.145 108.800 0.016 0.000 2.184 335 G HA2 -0.242 3.720 3.960 0.002 0.000 0.206 335 G HA3 -0.242 3.720 3.960 0.002 0.000 0.206 335 G C 0.335 175.246 174.900 0.019 0.000 0.995 335 G CA 0.048 45.159 45.100 0.018 0.000 0.651 335 G HN 0.132 nan 8.290 nan 0.000 0.511 336 V N 1.993 121.916 119.914 0.016 0.000 2.287 336 V HA 0.513 4.634 4.120 0.002 0.000 0.246 336 V C 1.781 177.894 176.094 0.032 0.000 1.165 336 V CA 0.757 63.067 62.300 0.017 0.000 1.088 336 V CB 0.122 31.947 31.823 0.002 0.000 1.242 336 V HN 0.759 nan 8.190 nan 0.000 0.497 337 A N 4.571 127.414 122.820 0.038 0.000 2.019 337 A HA -0.131 4.190 4.320 0.002 0.000 0.219 337 A C 1.776 179.400 177.584 0.066 0.000 1.164 337 A CA 1.681 53.749 52.037 0.052 0.000 0.644 337 A CB -0.297 18.726 19.000 0.039 0.000 0.805 337 A HN 0.833 nan 8.150 nan 0.000 0.449 338 N N -0.098 118.634 118.700 0.053 0.000 2.295 338 N HA 0.314 5.055 4.740 0.002 0.000 0.221 338 N C 1.025 176.550 175.510 0.026 0.000 1.129 338 N CA 0.717 53.801 53.050 0.056 0.000 0.836 338 N CB -0.293 38.227 38.487 0.055 0.000 1.040 338 N HN 0.255 nan 8.380 nan 0.000 0.494 339 A N 0.376 123.187 122.820 -0.015 0.000 1.978 339 A HA -0.059 4.263 4.320 0.002 0.000 0.220 339 A C 1.094 178.360 177.584 -0.530 0.000 1.170 339 A CA 0.830 52.734 52.037 -0.222 0.000 0.636 339 A CB -0.837 18.000 19.000 -0.271 0.000 0.810 339 A HN 0.281 nan 8.150 nan 0.000 0.448 340 F N 0.058 119.866 119.950 -0.237 0.000 2.664 340 F HA 0.106 4.634 4.527 0.002 0.000 0.301 340 F C 1.113 176.795 175.800 -0.197 0.000 1.126 340 F CA -0.026 57.810 58.000 -0.274 0.000 1.373 340 F CB 0.141 39.050 39.000 -0.152 0.000 1.042 340 F HN 0.133 nan 8.300 nan 0.000 0.535 341 D N 0.282 120.658 120.400 -0.040 0.000 2.264 341 D HA -0.092 4.550 4.640 0.002 0.000 0.208 341 D C 0.393 176.772 176.300 0.131 0.000 0.966 341 D CA 0.896 54.936 54.000 0.065 0.000 0.864 341 D CB -0.094 40.771 40.800 0.109 0.000 0.933 341 D HN 0.265 nan 8.370 nan 0.000 0.499 342 F N -0.415 119.575 119.950 0.066 0.000 2.450 342 F HA 0.656 5.184 4.527 0.002 0.000 0.332 342 F C -2.669 173.195 175.800 0.107 0.000 1.093 342 F CA -2.865 55.185 58.000 0.084 0.000 1.003 342 F CB 0.993 40.040 39.000 0.078 0.000 1.151 342 F HN -0.298 nan 8.300 nan 0.000 0.474 343 P HA 0.319 nan 4.420 nan 0.000 0.281 343 P C -0.214 177.250 177.300 0.273 0.000 1.264 343 P CA -0.278 62.930 63.100 0.179 0.000 0.824 343 P CB 1.281 33.036 31.700 0.090 0.000 1.092 344 G N 0.287 109.203 108.800 0.194 0.000 2.544 344 G HA2 0.167 4.129 3.960 0.002 0.000 0.242 344 G HA3 0.167 4.129 3.960 0.002 0.000 0.242 344 G C 0.693 175.718 174.900 0.207 0.000 1.247 344 G CA -0.627 44.625 45.100 0.254 0.000 0.840 344 G HN 0.561 nan 8.290 nan 0.000 0.578 345 F N 0.977 121.063 119.950 0.227 0.000 2.269 345 F HA -0.072 4.456 4.527 0.002 0.000 0.301 345 F C 1.965 177.759 175.800 -0.010 0.000 1.082 345 F CA 0.906 58.984 58.000 0.129 0.000 1.360 345 F CB -0.563 38.622 39.000 0.309 0.000 1.041 345 F HN 0.155 nan 8.300 nan 0.000 0.512 346 V N 2.305 121.747 119.914 -0.787 0.000 2.229 346 V HA -0.159 3.963 4.120 0.002 0.000 0.243 346 V C 0.025 175.912 176.094 -0.346 0.000 1.042 346 V CA 2.098 64.001 62.300 -0.661 0.000 1.000 346 V CB -2.024 29.424 31.823 -0.626 0.000 0.637 346 V HN 0.221 nan 8.190 nan 0.000 0.446 347 P HA -0.156 nan 4.420 nan 0.000 0.218 347 P C 1.520 178.689 177.300 -0.219 0.000 1.148 347 P CA 2.244 65.249 63.100 -0.159 0.000 0.822 347 P CB -0.054 31.600 31.700 -0.077 0.000 0.784 348 A N -1.481 121.138 122.820 -0.336 0.000 1.897 348 A HA -0.120 4.201 4.320 0.002 0.000 0.215 348 A C 1.620 178.802 177.584 -0.669 0.000 1.181 348 A CA 1.397 53.054 52.037 -0.634 0.000 0.620 348 A CB -1.056 17.307 19.000 -1.061 0.000 0.821 348 A HN 0.161 nan 8.150 nan 0.000 0.443 349 Y N -2.934 117.274 120.300 -0.153 0.000 2.550 349 Y HA 0.333 4.884 4.550 0.002 0.000 0.275 349 Y C 1.723 177.494 175.900 -0.216 0.000 1.148 349 Y CA -0.660 57.330 58.100 -0.183 0.000 1.200 349 Y CB 0.481 38.814 38.460 -0.211 0.000 1.299 349 Y HN 0.088 nan 8.280 nan 0.000 0.509 350 I N -0.064 120.421 120.570 -0.141 0.000 3.526 350 I HA 0.085 4.256 4.170 0.002 0.000 0.294 350 I C 2.244 178.090 176.117 -0.452 0.000 1.229 350 I CA 0.555 61.683 61.300 -0.287 0.000 1.408 350 I CB -0.600 37.194 38.000 -0.344 0.000 1.127 350 I HN 0.129 nan 8.210 nan 0.000 0.439 351 R N 2.030 122.285 120.500 -0.408 0.000 2.119 351 R HA -0.182 4.159 4.340 0.002 0.000 0.246 351 R C -0.625 175.484 176.300 -0.319 0.000 1.146 351 R CA 2.172 58.051 56.100 -0.368 0.000 0.962 351 R CB -1.110 29.014 30.300 -0.293 0.000 0.863 351 R HN 0.169 nan 8.270 nan 0.000 0.442 352 P HA -0.161 nan 4.420 nan 0.000 0.218 352 P C 0.882 178.101 177.300 -0.135 0.000 1.146 352 P CA 1.275 64.270 63.100 -0.175 0.000 0.813 352 P CB -0.021 31.608 31.700 -0.119 0.000 0.778 353 L N -2.720 118.433 121.223 -0.117 0.000 2.072 353 L HA -0.118 4.223 4.340 0.002 0.000 0.205 353 L C 2.327 179.232 176.870 0.058 0.000 1.079 353 L CA 1.138 55.976 54.840 -0.003 0.000 0.752 353 L CB -0.947 41.175 42.059 0.105 0.000 0.906 353 L HN -0.079 nan 8.230 nan 0.000 0.436 354 F N 0.070 119.887 119.950 -0.222 0.000 2.161 354 F HA -0.237 4.291 4.527 0.002 0.000 0.300 354 F C 2.690 178.126 175.800 -0.606 0.000 1.089 354 F CA 0.478 58.228 58.000 -0.416 0.000 1.282 354 F CB -1.537 37.154 39.000 -0.515 0.000 1.010 354 F HN 0.178 nan 8.300 nan 0.000 0.485 355 C N -0.200 118.872 119.300 -0.381 0.000 2.409 355 C HA -0.159 4.303 4.460 0.002 0.000 0.284 355 C C 2.372 177.274 174.990 -0.146 0.000 1.354 355 C CA 0.756 59.587 59.018 -0.312 0.000 1.787 355 C CB -1.227 26.388 27.740 -0.208 0.000 1.900 355 C HN 0.329 nan 8.230 nan 0.000 0.520 356 R N -0.210 120.228 120.500 -0.104 0.000 2.427 356 R HA 0.234 4.576 4.340 0.002 0.000 0.262 356 R C 1.533 177.790 176.300 -0.072 0.000 0.943 356 R CA 0.647 56.709 56.100 -0.064 0.000 1.081 356 R CB 0.076 30.354 30.300 -0.037 0.000 1.166 356 R HN 0.500 nan 8.270 nan 0.000 0.534 357 G N 1.072 109.812 108.800 -0.100 0.000 2.162 357 G HA2 -0.266 3.696 3.960 0.002 0.000 0.260 357 G HA3 -0.266 3.696 3.960 0.002 0.000 0.260 357 G C 0.247 175.079 174.900 -0.114 0.000 0.976 357 G CA 0.146 45.171 45.100 -0.126 0.000 0.655 357 G HN 0.156 nan 8.290 nan 0.000 0.533 358 V N 0.508 120.403 119.914 -0.032 0.000 2.555 358 V HA 0.693 4.815 4.120 0.002 0.000 0.286 358 V C 1.031 177.079 176.094 -0.076 0.000 1.044 358 V CA 0.908 63.210 62.300 0.002 0.000 1.026 358 V CB 1.041 32.947 31.823 0.139 0.000 0.981 358 V HN 1.247 nan 8.190 nan 0.000 0.480 359 G N 5.185 113.703 108.800 -0.470 0.000 2.489 359 G HA2 0.466 4.427 3.960 0.002 0.000 0.305 359 G HA3 0.466 4.427 3.960 0.002 0.000 0.305 359 G C -3.073 170.906 174.900 -1.535 0.000 1.311 359 G CA -0.619 43.795 45.100 -1.144 0.000 0.813 359 G HN 0.403 nan 8.290 nan 0.000 0.480 360 P HA 0.189 nan 4.420 nan 0.000 0.238 360 P C -0.230 176.979 177.300 -0.153 0.000 1.714 360 P CA -0.301 62.451 63.100 -0.579 0.000 0.908 360 P CB -0.624 31.039 31.700 -0.063 0.000 1.893 361 F N 3.153 122.943 119.950 -0.267 0.000 2.602 361 F HA 0.073 4.602 4.527 0.002 0.000 0.367 361 F C 1.092 176.937 175.800 0.075 0.000 1.126 361 F CA 0.433 58.415 58.000 -0.029 0.000 1.321 361 F CB 0.547 39.571 39.000 0.041 0.000 1.094 361 F HN 0.210 nan 8.300 nan 0.000 0.594 362 R N 4.355 124.614 120.500 -0.402 0.000 2.716 362 R HA 0.630 4.971 4.340 0.002 0.000 0.271 362 R C -2.320 173.881 176.300 -0.165 0.000 1.028 362 R CA -1.100 54.814 56.100 -0.310 0.000 0.883 362 R CB 1.200 31.386 30.300 -0.189 0.000 1.250 362 R HN 0.759 nan 8.270 nan 0.000 0.465 363 W N -0.243 120.962 121.300 -0.158 0.000 3.118 363 W HA 0.855 5.516 4.660 0.003 0.000 0.328 363 W C -1.917 174.558 176.519 -0.073 0.000 1.239 363 W CA -0.970 56.301 57.345 -0.122 0.000 1.176 363 W CB 1.433 30.843 29.460 -0.083 0.000 1.433 363 W HN 0.850 nan 8.180 nan 0.000 0.562 364 A N 1.370 124.283 122.820 0.154 0.000 2.414 364 A HA 0.881 5.202 4.320 0.002 0.000 0.306 364 A C -1.027 176.593 177.584 0.060 0.000 1.054 364 A CA -0.747 51.321 52.037 0.052 0.000 0.724 364 A CB 1.258 20.291 19.000 0.055 0.000 1.267 364 A HN 1.540 nan 8.150 nan 0.000 0.418 365 A N 2.057 124.859 122.820 -0.029 0.000 2.343 365 A HA 0.522 4.844 4.320 0.002 0.000 0.305 365 A C 0.810 178.374 177.584 -0.034 0.000 1.308 365 A CA -0.456 51.543 52.037 -0.064 0.000 0.949 365 A CB -0.458 18.452 19.000 -0.149 0.000 1.148 365 A HN 0.917 nan 8.150 nan 0.000 0.545 366 L N 2.627 123.857 121.223 0.012 0.000 2.191 366 L HA -0.199 4.143 4.340 0.002 0.000 0.212 366 L C 2.819 179.744 176.870 0.092 0.000 1.103 366 L CA 1.629 56.526 54.840 0.096 0.000 0.769 366 L CB -0.453 41.726 42.059 0.200 0.000 0.908 366 L HN 0.915 nan 8.230 nan 0.000 0.438 367 S N -0.079 115.631 115.700 0.017 0.000 2.400 367 S HA -0.153 4.318 4.470 0.002 0.000 0.232 367 S C 1.778 176.378 174.600 -0.001 0.000 1.025 367 S CA 1.070 59.281 58.200 0.018 0.000 0.993 367 S CB -0.525 62.650 63.200 -0.042 0.000 0.808 367 S HN 0.593 nan 8.310 nan 0.000 0.478 368 G N 0.472 109.245 108.800 -0.045 0.000 2.176 368 G HA2 -0.199 3.762 3.960 0.002 0.000 0.253 368 G HA3 -0.199 3.762 3.960 0.002 0.000 0.253 368 G C -0.253 174.567 174.900 -0.134 0.000 0.979 368 G CA 0.208 45.263 45.100 -0.075 0.000 0.641 368 G HN 0.569 nan 8.290 nan 0.000 0.530 369 E N 0.281 120.390 120.200 -0.151 0.000 2.194 369 E HA 0.576 4.927 4.350 0.002 0.000 0.284 369 E C 1.377 177.784 176.600 -0.322 0.000 1.035 369 E CA 0.224 56.517 56.400 -0.177 0.000 0.836 369 E CB 1.294 30.922 29.700 -0.119 0.000 1.070 369 E HN 0.422 nan 8.360 nan 0.000 0.401 370 A N 4.208 126.805 122.820 -0.371 0.000 1.940 370 A HA -0.211 4.110 4.320 0.002 0.000 0.219 370 A C 1.741 178.857 177.584 -0.779 0.000 1.176 370 A CA 1.172 52.819 52.037 -0.650 0.000 0.631 370 A CB -0.132 18.659 19.000 -0.350 0.000 0.814 370 A HN 0.454 nan 8.150 nan 0.000 0.446 371 E N 0.408 120.385 120.200 -0.371 0.000 2.160 371 E HA -0.184 4.167 4.350 0.002 0.000 0.195 371 E C 1.441 177.959 176.600 -0.136 0.000 0.991 371 E CA 1.275 57.584 56.400 -0.152 0.000 0.810 371 E CB -0.403 29.294 29.700 -0.006 0.000 0.742 371 E HN 0.570 nan 8.360 nan 0.000 0.466 372 D N 0.347 120.634 120.400 -0.188 0.000 2.123 372 D HA -0.131 4.511 4.640 0.002 0.000 0.196 372 D C 1.928 178.142 176.300 -0.143 0.000 0.992 372 D CA 0.589 54.496 54.000 -0.156 0.000 0.833 372 D CB -0.076 40.623 40.800 -0.168 0.000 0.954 372 D HN 0.147 nan 8.370 nan 0.000 0.455 373 I N 0.326 120.774 120.570 -0.203 0.000 2.252 373 I HA -0.237 3.935 4.170 0.002 0.000 0.245 373 I C 2.141 178.341 176.117 0.138 0.000 1.102 373 I CA 0.950 62.223 61.300 -0.046 0.000 1.385 373 I CB -1.082 36.825 38.000 -0.155 0.000 1.064 373 I HN 0.053 nan 8.210 nan 0.000 0.414 374 Y N 1.664 122.021 120.300 0.096 0.000 2.207 374 Y HA -0.185 4.366 4.550 0.002 0.000 0.287 374 Y C 2.560 178.490 175.900 0.049 0.000 1.156 374 Y CA 0.730 58.880 58.100 0.085 0.000 1.182 374 Y CB -1.148 37.354 38.460 0.070 0.000 0.979 374 Y HN 0.203 nan 8.280 nan 0.000 0.521 375 K N -0.366 120.125 120.400 0.152 0.000 2.057 375 K HA -0.144 4.178 4.320 0.002 0.000 0.207 375 K C 2.154 178.775 176.600 0.034 0.000 1.049 375 K CA 1.986 58.313 56.287 0.067 0.000 0.931 375 K CB -0.459 32.044 32.500 0.006 0.000 0.714 375 K HN 0.482 nan 8.250 nan 0.000 0.440 376 T N -0.094 114.442 114.554 -0.030 0.000 2.788 376 T HA -0.155 4.196 4.350 0.002 0.000 0.268 376 T C 1.431 176.237 174.700 0.176 0.000 1.044 376 T CA 1.423 63.442 62.100 -0.136 0.000 1.139 376 T CB -0.323 68.241 68.868 -0.507 0.000 0.867 376 T HN 0.027 nan 8.240 nan 0.000 0.454 377 D N 2.245 122.803 120.400 0.262 0.000 2.104 377 D HA -0.027 4.614 4.640 0.002 0.000 0.194 377 D C 2.531 178.920 176.300 0.148 0.000 0.994 377 D CA 1.656 55.810 54.000 0.258 0.000 0.830 377 D CB -0.805 40.124 40.800 0.215 0.000 0.959 377 D HN 0.571 nan 8.370 nan 0.000 0.452 378 A N 0.673 123.560 122.820 0.112 0.000 1.902 378 A HA -0.219 4.102 4.320 0.002 0.000 0.217 378 A C 2.088 179.718 177.584 0.077 0.000 1.181 378 A CA 2.056 54.133 52.037 0.068 0.000 0.623 378 A CB -0.413 18.625 19.000 0.063 0.000 0.818 378 A HN 0.095 nan 8.150 nan 0.000 0.443 379 K N -0.000 120.468 120.400 0.114 0.000 2.026 379 K HA -0.063 4.258 4.320 0.002 0.000 0.208 379 K C 1.712 178.397 176.600 0.142 0.000 1.048 379 K CA 1.803 58.171 56.287 0.136 0.000 0.929 379 K CB -0.849 31.771 32.500 0.201 0.000 0.713 379 K HN 0.191 nan 8.250 nan 0.000 0.439 380 V N 1.557 121.591 119.914 0.200 0.000 2.282 380 V HA -0.319 3.802 4.120 0.002 0.000 0.249 380 V C 2.231 178.381 176.094 0.092 0.000 1.057 380 V CA 2.237 64.646 62.300 0.182 0.000 1.032 380 V CB -0.480 31.531 31.823 0.314 0.000 0.645 380 V HN 0.366 nan 8.190 nan 0.000 0.447 381 K N -0.436 119.957 120.400 -0.012 0.000 2.103 381 K HA -0.239 4.082 4.320 0.002 0.000 0.207 381 K C 2.273 178.927 176.600 0.090 0.000 1.048 381 K CA 1.705 57.880 56.287 -0.186 0.000 0.930 381 K CB -0.181 32.127 32.500 -0.320 0.000 0.716 381 K HN 0.587 nan 8.250 nan 0.000 0.444 382 E N 0.973 121.222 120.200 0.082 0.000 2.072 382 E HA -0.135 4.216 4.350 0.002 0.000 0.190 382 E C 1.939 178.593 176.600 0.089 0.000 0.982 382 E CA 0.702 57.157 56.400 0.092 0.000 0.803 382 E CB 0.127 29.868 29.700 0.068 0.000 0.755 382 E HN 0.229 nan 8.360 nan 0.000 0.453 383 L N 0.464 121.733 121.223 0.077 0.000 2.240 383 L HA 0.057 4.398 4.340 0.002 0.000 0.211 383 L C 1.092 178.006 176.870 0.072 0.000 1.106 383 L CA 0.489 55.360 54.840 0.051 0.000 0.793 383 L CB 0.188 42.253 42.059 0.010 0.000 0.927 383 L HN 0.105 nan 8.230 nan 0.000 0.446 384 I N 0.916 121.563 120.570 0.129 0.000 2.778 384 I HA 0.158 4.329 4.170 0.002 0.000 0.285 384 I C -1.710 174.578 176.117 0.284 0.000 1.236 384 I CA -1.104 60.296 61.300 0.167 0.000 1.089 384 I CB 0.894 39.001 38.000 0.178 0.000 1.601 384 I HN -0.117 nan 8.210 nan 0.000 0.573 385 P HA -0.047 nan 4.420 nan 0.000 0.236 385 P C 0.432 177.716 177.300 -0.027 0.000 1.177 385 P CA 0.964 64.165 63.100 0.168 0.000 0.773 385 P CB 0.160 31.920 31.700 0.099 0.000 0.878 386 D N -2.125 118.272 120.400 -0.004 0.000 2.379 386 D HA 0.003 4.644 4.640 0.002 0.000 0.208 386 D C 0.245 176.514 176.300 -0.052 0.000 1.065 386 D CA 0.012 53.982 54.000 -0.050 0.000 0.848 386 D CB -0.789 40.006 40.800 -0.007 0.000 0.949 386 D HN -0.042 nan 8.370 nan 0.000 0.509 387 D N 0.785 121.182 120.400 -0.005 0.000 2.468 387 D HA 0.356 4.997 4.640 0.002 0.000 0.218 387 D C 1.150 177.491 176.300 0.069 0.000 1.155 387 D CA -0.252 53.799 54.000 0.086 0.000 0.924 387 D CB 1.132 42.047 40.800 0.192 0.000 1.029 387 D HN 0.057 nan 8.370 nan 0.000 0.515 388 A N 3.631 126.464 122.820 0.023 0.000 1.933 388 A HA -0.237 4.084 4.320 0.002 0.000 0.218 388 A C 1.916 179.606 177.584 0.177 0.000 1.175 388 A CA 1.626 53.688 52.037 0.041 0.000 0.628 388 A CB -0.635 18.386 19.000 0.034 0.000 0.814 388 A HN 0.764 nan 8.150 nan 0.000 0.444 389 H N -0.461 118.688 119.070 0.131 0.000 2.321 389 H HA -0.055 4.503 4.556 0.002 0.000 0.300 389 H C 1.833 177.318 175.328 0.262 0.000 1.087 389 H CA 1.897 58.054 56.048 0.181 0.000 1.319 389 H CB -0.221 29.628 29.762 0.144 0.000 1.379 389 H HN 0.368 nan 8.280 nan 0.000 0.501 390 L N -0.551 120.870 121.223 0.330 0.000 2.056 390 L HA -0.192 4.149 4.340 0.002 0.000 0.207 390 L C 2.243 179.313 176.870 0.333 0.000 1.078 390 L CA 1.531 56.576 54.840 0.343 0.000 0.749 390 L CB -0.427 41.852 42.059 0.365 0.000 0.901 390 L HN 0.486 nan 8.230 nan 0.000 0.433 391 H N -0.954 118.204 119.070 0.147 0.000 2.352 391 H HA -0.215 4.342 4.556 0.002 0.000 0.299 391 H C 2.307 177.665 175.328 0.049 0.000 1.097 391 H CA 1.523 57.631 56.048 0.100 0.000 1.311 391 H CB 0.162 29.972 29.762 0.079 0.000 1.377 391 H HN 0.216 nan 8.280 nan 0.000 0.504 392 R N 1.173 121.771 120.500 0.163 0.000 2.081 392 R HA -0.151 4.190 4.340 0.002 0.000 0.235 392 R C 2.369 178.650 176.300 -0.031 0.000 1.131 392 R CA 1.411 57.538 56.100 0.044 0.000 0.960 392 R CB -0.950 29.375 30.300 0.041 0.000 0.856 392 R HN 0.516 nan 8.270 nan 0.000 0.436 393 W N 0.792 121.985 121.300 -0.179 0.000 2.333 393 W HA -0.246 4.415 4.660 0.002 0.000 0.316 393 W C 1.312 177.741 176.519 -0.150 0.000 1.215 393 W CA 1.601 58.800 57.345 -0.243 0.000 1.278 393 W CB -0.351 28.985 29.460 -0.207 0.000 1.154 393 W HN 0.177 nan 8.180 nan 0.000 0.486 394 L N 0.566 121.697 121.223 -0.153 0.000 2.083 394 L HA -0.244 4.098 4.340 0.002 0.000 0.209 394 L C 2.284 178.992 176.870 -0.269 0.000 1.083 394 L CA 1.587 56.301 54.840 -0.209 0.000 0.752 394 L CB -1.064 40.994 42.059 -0.001 0.000 0.899 394 L HN -0.135 nan 8.230 nan 0.000 0.433 395 D N 0.082 120.360 120.400 -0.204 0.000 2.092 395 D HA -0.199 4.443 4.640 0.002 0.000 0.193 395 D C 2.345 178.468 176.300 -0.296 0.000 0.994 395 D CA 1.479 55.360 54.000 -0.199 0.000 0.828 395 D CB -0.160 40.569 40.800 -0.118 0.000 0.963 395 D HN 0.282 nan 8.370 nan 0.000 0.450 396 M N 0.387 119.756 119.600 -0.385 0.000 2.159 396 M HA -0.100 4.381 4.480 0.002 0.000 0.263 396 M C 2.308 178.245 176.300 -0.605 0.000 1.063 396 M CA 1.213 56.233 55.300 -0.465 0.000 1.110 396 M CB -0.200 32.098 32.600 -0.504 0.000 1.374 396 M HN -0.025 nan 8.290 nan 0.000 0.411 397 A N 0.591 122.917 122.820 -0.824 0.000 1.877 397 A HA -0.215 4.106 4.320 0.002 0.000 0.216 397 A C 2.119 179.423 177.584 -0.467 0.000 1.186 397 A CA 2.073 53.664 52.037 -0.743 0.000 0.620 397 A CB -0.626 17.891 19.000 -0.804 0.000 0.822 397 A HN 0.397 nan 8.150 nan 0.000 0.443 398 R N 0.288 120.569 120.500 -0.366 0.000 2.081 398 R HA -0.141 4.200 4.340 0.002 0.000 0.235 398 R C 2.077 178.192 176.300 -0.308 0.000 1.131 398 R CA 2.167 58.091 56.100 -0.293 0.000 0.960 398 R CB -0.540 29.602 30.300 -0.264 0.000 0.856 398 R HN 0.692 nan 8.270 nan 0.000 0.436 399 E N -0.824 119.197 120.200 -0.299 0.000 2.072 399 E HA -0.139 4.213 4.350 0.002 0.000 0.190 399 E C 1.163 177.600 176.600 -0.271 0.000 0.982 399 E CA 0.880 57.125 56.400 -0.257 0.000 0.803 399 E CB 0.216 29.779 29.700 -0.227 0.000 0.755 399 E HN 0.164 nan 8.360 nan 0.000 0.453 400 R N -0.494 119.808 120.500 -0.331 0.000 2.369 400 R HA 0.303 4.644 4.340 0.002 0.000 0.210 400 R C 0.335 176.385 176.300 -0.416 0.000 0.881 400 R CA -0.055 55.843 56.100 -0.337 0.000 1.031 400 R CB 0.597 30.704 30.300 -0.320 0.000 1.184 400 R HN 0.143 nan 8.270 nan 0.000 0.581 401 I N 1.695 121.996 120.570 -0.449 0.000 2.312 401 I HA 0.098 4.269 4.170 0.002 0.000 0.291 401 I C 0.405 176.249 176.117 -0.455 0.000 1.031 401 I CA -0.195 60.827 61.300 -0.463 0.000 1.293 401 I CB 1.476 39.254 38.000 -0.369 0.000 1.403 401 I HN -0.128 nan 8.210 nan 0.000 0.484 402 S N 6.174 121.654 115.700 -0.368 0.000 2.545 402 S HA 0.427 4.898 4.470 0.002 0.000 0.275 402 S C -0.184 174.332 174.600 -0.140 0.000 1.299 402 S CA -0.561 57.486 58.200 -0.255 0.000 1.048 402 S CB 0.289 63.425 63.200 -0.108 0.000 0.938 402 S HN 0.233 nan 8.310 nan 0.000 0.496 403 F N 2.901 122.861 119.950 0.017 0.000 2.518 403 F HA 0.294 4.822 4.527 0.003 0.000 0.359 403 F C 1.109 176.941 175.800 0.052 0.000 1.118 403 F CA 0.002 58.013 58.000 0.018 0.000 1.287 403 F CB 0.454 39.448 39.000 -0.009 0.000 1.132 403 F HN 0.490 nan 8.300 nan 0.000 0.587 404 Q N 1.318 121.278 119.800 0.268 0.000 2.309 404 Q HA 0.503 4.845 4.340 0.002 0.000 0.270 404 Q C 0.512 176.603 176.000 0.151 0.000 1.023 404 Q CA -0.235 55.683 55.803 0.192 0.000 0.758 404 Q CB 2.095 30.925 28.738 0.154 0.000 1.247 404 Q HN 0.945 nan 8.270 nan 0.000 0.455 405 G N 2.048 110.931 108.800 0.138 0.000 2.574 405 G HA2 -0.326 3.635 3.960 0.002 0.000 0.286 405 G HA3 -0.326 3.635 3.960 0.002 0.000 0.286 405 G C -0.222 174.707 174.900 0.048 0.000 1.212 405 G CA -0.579 44.581 45.100 0.100 0.000 0.979 405 G HN 0.556 nan 8.290 nan 0.000 0.557 406 L N 2.593 123.832 121.223 0.027 0.000 2.559 406 L HA 0.215 4.556 4.340 0.002 0.000 0.274 406 L C -1.649 175.140 176.870 -0.135 0.000 1.205 406 L CA -1.133 53.682 54.840 -0.041 0.000 0.907 406 L CB 0.338 42.399 42.059 0.003 0.000 1.153 406 L HN 0.266 nan 8.230 nan 0.000 0.490 407 P HA 0.047 nan 4.420 nan 0.000 0.262 407 P C -0.690 176.342 177.300 -0.447 0.000 1.182 407 P CA 0.322 62.921 63.100 -0.835 0.000 0.761 407 P CB 0.773 31.686 31.700 -1.312 0.000 0.795 408 A N 3.449 126.135 122.820 -0.223 0.000 2.569 408 A HA 0.879 5.200 4.320 0.002 0.000 0.290 408 A C -0.935 176.585 177.584 -0.107 0.000 1.136 408 A CA -0.653 51.297 52.037 -0.144 0.000 0.710 408 A CB 1.727 20.676 19.000 -0.086 0.000 1.303 408 A HN 0.428 nan 8.150 nan 0.000 0.413 409 R N -0.001 120.226 120.500 -0.455 0.000 2.533 409 R HA 0.615 4.957 4.340 0.002 0.000 0.288 409 R C -1.816 174.123 176.300 -0.602 0.000 1.039 409 R CA -0.373 55.405 56.100 -0.538 0.000 0.909 409 R CB 1.257 31.074 30.300 -0.805 0.000 1.195 409 R HN 0.801 nan 8.270 nan 0.000 0.438 410 I N 3.909 124.381 120.570 -0.163 0.000 2.396 410 I HA 0.484 4.655 4.170 0.002 0.000 0.292 410 I C -1.184 175.057 176.117 0.207 0.000 0.999 410 I CA -0.267 61.049 61.300 0.027 0.000 1.310 410 I CB 1.350 39.482 38.000 0.220 0.000 1.404 410 I HN 0.744 nan 8.210 nan 0.000 0.496 411 C N 8.295 127.746 119.300 0.253 0.000 3.102 411 C HA 0.332 4.794 4.460 0.002 0.000 0.363 411 C C -1.408 173.889 174.990 0.513 0.000 1.048 411 C CA -0.718 58.555 59.018 0.425 0.000 1.330 411 C CB -0.665 27.398 27.740 0.538 0.000 1.771 411 C HN 0.764 nan 8.230 nan 0.000 0.526 412 W N 5.676 127.028 121.300 0.088 0.000 2.655 412 W HA 0.461 5.123 4.660 0.003 0.000 0.333 412 W C 0.524 177.114 176.519 0.118 0.000 1.382 412 W CA 0.348 57.754 57.345 0.101 0.000 1.398 412 W CB 0.442 29.902 29.460 -0.001 0.000 1.481 412 W HN 0.678 nan 8.180 nan 0.000 0.526 413 V N 2.012 122.033 119.914 0.178 0.000 3.130 413 V HA 1.049 5.170 4.120 0.002 0.000 0.310 413 V C -0.015 176.001 176.094 -0.131 0.000 1.158 413 V CA -0.855 61.462 62.300 0.027 0.000 1.029 413 V CB 1.428 33.230 31.823 -0.036 0.000 1.057 413 V HN 0.497 nan 8.190 nan 0.000 0.436 414 G N 0.343 109.069 108.800 -0.124 0.000 3.212 414 G HA2 0.594 4.555 3.960 0.002 0.000 0.188 414 G HA3 0.594 4.555 3.960 0.002 0.000 0.188 414 G C -0.845 173.952 174.900 -0.172 0.000 1.254 414 G CA -0.961 44.054 45.100 -0.142 0.000 0.957 414 G HN 1.034 nan 8.290 nan 0.000 0.596 415 L N 0.943 122.091 121.223 -0.125 0.000 2.499 415 L HA 0.437 4.778 4.340 0.002 0.000 0.273 415 L C 1.413 178.222 176.870 -0.102 0.000 1.195 415 L CA 2.299 57.071 54.840 -0.113 0.000 0.882 415 L CB 0.431 42.442 42.059 -0.080 0.000 1.133 415 L HN 1.532 nan 8.230 nan 0.000 0.483 416 G N 3.442 112.176 108.800 -0.111 0.000 2.956 416 G HA2 -0.300 3.662 3.960 0.002 0.000 0.210 416 G HA3 -0.300 3.662 3.960 0.002 0.000 0.210 416 G C 0.848 175.673 174.900 -0.125 0.000 1.316 416 G CA 0.250 45.293 45.100 -0.096 0.000 0.819 416 G HN 0.590 nan 8.290 nan 0.000 0.544 417 L N 0.866 122.001 121.223 -0.146 0.000 2.156 417 L HA 0.122 4.463 4.340 0.002 0.000 0.208 417 L C 3.137 179.835 176.870 -0.287 0.000 1.095 417 L CA 1.351 56.090 54.840 -0.168 0.000 0.770 417 L CB -0.409 41.579 42.059 -0.118 0.000 0.914 417 L HN 0.287 nan 8.230 nan 0.000 0.439 418 R N 0.206 120.453 120.500 -0.422 0.000 2.083 418 R HA -0.172 4.169 4.340 0.002 0.000 0.237 418 R C 2.409 178.519 176.300 -0.316 0.000 1.137 418 R CA 1.570 57.265 56.100 -0.675 0.000 0.951 418 R CB -0.554 29.309 30.300 -0.729 0.000 0.851 418 R HN 0.334 nan 8.270 nan 0.000 0.434 419 A N 1.403 124.100 122.820 -0.206 0.000 1.930 419 A HA -0.188 4.133 4.320 0.002 0.000 0.217 419 A C 2.089 179.579 177.584 -0.157 0.000 1.175 419 A CA 1.400 53.357 52.037 -0.133 0.000 0.627 419 A CB -0.342 18.599 19.000 -0.097 0.000 0.815 419 A HN 0.250 nan 8.150 nan 0.000 0.443 420 K N -0.761 119.535 120.400 -0.173 0.000 2.026 420 K HA -0.143 4.179 4.320 0.002 0.000 0.208 420 K C 1.747 178.188 176.600 -0.265 0.000 1.048 420 K CA 1.473 57.658 56.287 -0.170 0.000 0.929 420 K CB -0.269 32.151 32.500 -0.133 0.000 0.713 420 K HN 0.290 nan 8.250 nan 0.000 0.439 421 L N 0.598 121.604 121.223 -0.361 0.000 2.027 421 L HA -0.055 4.286 4.340 0.002 0.000 0.206 421 L C 2.509 178.775 176.870 -1.007 0.000 1.074 421 L CA 2.155 56.563 54.840 -0.719 0.000 0.745 421 L CB -1.221 40.478 42.059 -0.599 0.000 0.898 421 L HN 0.395 nan 8.230 nan 0.000 0.433 422 G N -0.833 107.674 108.800 -0.490 0.000 2.440 422 G HA2 -0.230 3.732 3.960 0.002 0.000 0.218 422 G HA3 -0.230 3.732 3.960 0.002 0.000 0.218 422 G C 1.680 176.451 174.900 -0.215 0.000 1.154 422 G CA 0.875 45.810 45.100 -0.276 0.000 0.767 422 G HN 0.339 nan 8.290 nan 0.000 0.552 423 L N 0.505 121.614 121.223 -0.190 0.000 2.093 423 L HA 0.003 4.345 4.340 0.002 0.000 0.208 423 L C 3.375 180.178 176.870 -0.111 0.000 1.085 423 L CA 0.857 55.627 54.840 -0.116 0.000 0.755 423 L CB -0.332 41.671 42.059 -0.092 0.000 0.904 423 L HN 0.317 nan 8.230 nan 0.000 0.435 424 A N 0.060 122.766 122.820 -0.190 0.000 1.873 424 A HA -0.172 4.149 4.320 0.002 0.000 0.215 424 A C 2.003 179.610 177.584 0.040 0.000 1.186 424 A CA 1.237 53.210 52.037 -0.106 0.000 0.616 424 A CB -0.626 18.284 19.000 -0.151 0.000 0.823 424 A HN 0.265 nan 8.150 nan 0.000 0.442 425 F N 0.495 120.362 119.950 -0.140 0.000 2.126 425 F HA -0.158 4.370 4.527 0.002 0.000 0.299 425 F C 2.150 177.876 175.800 -0.123 0.000 1.096 425 F CA 1.044 58.943 58.000 -0.169 0.000 1.255 425 F CB -1.537 37.307 39.000 -0.260 0.000 0.997 425 F HN 0.318 nan 8.300 nan 0.000 0.479 426 N N 0.399 119.148 118.700 0.081 0.000 2.104 426 N HA -0.242 4.499 4.740 0.002 0.000 0.190 426 N C 1.811 177.324 175.510 0.004 0.000 1.024 426 N CA 1.451 54.513 53.050 0.020 0.000 0.853 426 N CB -0.191 38.296 38.487 0.001 0.000 1.008 426 N HN 0.213 nan 8.380 nan 0.000 0.424 427 E N -0.036 120.168 120.200 0.007 0.000 2.153 427 E HA -0.096 4.256 4.350 0.002 0.000 0.194 427 E C 1.862 178.463 176.600 0.003 0.000 0.988 427 E CA 1.262 57.663 56.400 0.002 0.000 0.811 427 E CB -0.184 29.515 29.700 -0.000 0.000 0.746 427 E HN 0.477 nan 8.360 nan 0.000 0.466 428 M N -0.757 118.853 119.600 0.017 0.000 2.175 428 M HA -0.117 4.365 4.480 0.002 0.000 0.264 428 M C 2.097 178.377 176.300 -0.033 0.000 1.063 428 M CA 0.973 56.274 55.300 0.001 0.000 1.119 428 M CB -0.021 32.587 32.600 0.012 0.000 1.377 428 M HN 0.029 nan 8.290 nan 0.000 0.415 429 V N 0.238 120.124 119.914 -0.047 0.000 2.295 429 V HA -0.286 3.835 4.120 0.002 0.000 0.246 429 V C 2.394 178.445 176.094 -0.073 0.000 1.049 429 V CA 1.990 64.235 62.300 -0.091 0.000 1.024 429 V CB -0.826 30.923 31.823 -0.124 0.000 0.648 429 V HN 0.475 nan 8.190 nan 0.000 0.447 430 R N 0.776 121.249 120.500 -0.045 0.000 2.091 430 R HA -0.187 4.155 4.340 0.002 0.000 0.238 430 R C 2.507 178.795 176.300 -0.020 0.000 1.136 430 R CA 2.053 58.137 56.100 -0.028 0.000 0.959 430 R CB -0.349 29.943 30.300 -0.014 0.000 0.856 430 R HN 0.666 nan 8.270 nan 0.000 0.437 431 S N -1.511 114.179 115.700 -0.017 0.000 2.489 431 S HA 0.077 4.548 4.470 0.002 0.000 0.228 431 S C 1.409 176.001 174.600 -0.014 0.000 0.995 431 S CA 0.773 58.967 58.200 -0.010 0.000 0.934 431 S CB 0.364 63.561 63.200 -0.005 0.000 0.771 431 S HN 0.650 nan 8.310 nan 0.000 0.522 432 G N 1.082 109.867 108.800 -0.026 0.000 2.175 432 G HA2 -0.332 3.630 3.960 0.002 0.000 0.244 432 G HA3 -0.332 3.630 3.960 0.002 0.000 0.244 432 G C 0.545 175.428 174.900 -0.028 0.000 0.982 432 G CA 0.573 45.656 45.100 -0.028 0.000 0.641 432 G HN 0.582 nan 8.290 nan 0.000 0.527 433 E N -0.355 119.830 120.200 -0.025 0.000 2.085 433 E HA 0.011 4.362 4.350 0.002 0.000 0.194 433 E C 1.172 177.747 176.600 -0.042 0.000 0.994 433 E CA 0.583 56.970 56.400 -0.023 0.000 0.801 433 E CB -0.085 29.608 29.700 -0.012 0.000 0.743 433 E HN 0.594 nan 8.360 nan 0.000 0.453 434 L N 1.298 122.483 121.223 -0.065 0.000 2.305 434 L HA 0.089 4.430 4.340 0.002 0.000 0.281 434 L C 1.499 178.311 176.870 -0.097 0.000 1.085 434 L CA -0.168 54.614 54.840 -0.096 0.000 0.813 434 L CB 1.564 43.542 42.059 -0.133 0.000 1.157 434 L HN 0.143 nan 8.230 nan 0.000 0.436 435 S N 1.715 117.360 115.700 -0.092 0.000 2.489 435 S HA 0.191 4.662 4.470 0.002 0.000 0.228 435 S C 0.576 175.115 174.600 -0.100 0.000 0.995 435 S CA 0.341 58.498 58.200 -0.072 0.000 0.934 435 S CB 0.153 63.324 63.200 -0.048 0.000 0.771 435 S HN 0.721 nan 8.310 nan 0.000 0.522 436 A N 0.666 123.381 122.820 -0.174 0.000 2.602 436 A HA 0.771 5.092 4.320 0.002 0.000 0.290 436 A C -3.224 174.098 177.584 -0.437 0.000 1.114 436 A CA -1.918 49.917 52.037 -0.336 0.000 0.683 436 A CB 0.189 19.040 19.000 -0.249 0.000 1.281 436 A HN 0.171 nan 8.150 nan 0.000 0.416 437 P HA 0.283 nan 4.420 nan 0.000 0.267 437 P C -0.309 176.832 177.300 -0.264 0.000 1.201 437 P CA 0.153 62.937 63.100 -0.526 0.000 0.775 437 P CB 0.437 31.688 31.700 -0.749 0.000 0.854 438 V N 0.247 120.081 119.914 -0.133 0.000 2.815 438 V HA 0.762 4.883 4.120 0.002 0.000 0.314 438 V C -0.218 175.903 176.094 0.045 0.000 1.064 438 V CA -1.100 61.180 62.300 -0.034 0.000 0.952 438 V CB 1.918 33.703 31.823 -0.064 0.000 1.020 438 V HN 0.383 nan 8.190 nan 0.000 0.439 439 V N 1.246 121.221 119.914 0.101 0.000 2.581 439 V HA 0.731 4.852 4.120 0.002 0.000 0.303 439 V C -0.343 175.803 176.094 0.087 0.000 1.041 439 V CA -0.628 61.733 62.300 0.101 0.000 0.907 439 V CB 1.334 33.259 31.823 0.170 0.000 0.994 439 V HN 0.850 nan 8.190 nan 0.000 0.442 440 I N 3.777 124.353 120.570 0.010 0.000 2.406 440 I HA 0.849 5.021 4.170 0.002 0.000 0.290 440 I C 0.680 176.714 176.117 -0.139 0.000 0.999 440 I CA -0.090 61.188 61.300 -0.037 0.000 1.124 440 I CB 1.744 39.735 38.000 -0.015 0.000 1.289 440 I HN 1.004 nan 8.210 nan 0.000 0.441 441 G N 5.164 113.856 108.800 -0.180 0.000 2.976 441 G HA2 0.856 4.818 3.960 0.002 0.000 0.276 441 G HA3 0.856 4.818 3.960 0.002 0.000 0.276 441 G C -1.370 173.454 174.900 -0.127 0.000 1.207 441 G CA -0.657 44.349 45.100 -0.156 0.000 0.803 441 G HN 0.694 nan 8.290 nan 0.000 0.572 442 R N -0.972 119.494 120.500 -0.056 0.000 2.829 442 R HA 0.425 4.766 4.340 0.002 0.000 0.283 442 R C -1.942 174.383 176.300 0.043 0.000 1.013 442 R CA -0.818 55.271 56.100 -0.018 0.000 0.848 442 R CB 0.605 30.901 30.300 -0.006 0.000 1.291 442 R HN 0.490 nan 8.270 nan 0.000 0.496 443 D N -0.325 120.104 120.400 0.048 0.000 2.371 443 D HA 0.109 4.750 4.640 0.002 0.000 0.242 443 D C 0.546 176.949 176.300 0.172 0.000 1.218 443 D CA -0.108 53.958 54.000 0.110 0.000 0.945 443 D CB 0.586 41.436 40.800 0.083 0.000 1.137 443 D HN 0.627 nan 8.370 nan 0.000 0.464 444 H N 0.201 119.257 119.070 -0.023 0.000 2.529 444 H HA 0.044 4.601 4.556 0.002 0.000 0.277 444 H C 0.546 175.836 175.328 -0.065 0.000 0.999 444 H CA -0.294 55.732 56.048 -0.036 0.000 1.256 444 H CB 0.370 30.131 29.762 -0.001 0.000 1.402 444 H HN 0.149 nan 8.280 nan 0.000 0.566 445 L N 2.511 123.782 121.223 0.080 0.000 2.515 445 L HA 0.104 4.445 4.340 0.002 0.000 0.281 445 L C -0.899 175.943 176.870 -0.047 0.000 1.131 445 L CA 0.200 55.082 54.840 0.070 0.000 0.905 445 L CB 0.113 42.286 42.059 0.190 0.000 1.246 445 L HN 0.094 nan 8.230 nan 0.000 0.463 446 D N 0.930 121.155 120.400 -0.290 0.000 2.694 446 D HA 0.170 4.811 4.640 0.002 0.000 0.260 446 D C 0.696 176.450 176.300 -0.910 0.000 1.250 446 D CA 0.278 53.925 54.000 -0.588 0.000 0.763 446 D CB 1.543 42.157 40.800 -0.311 0.000 1.311 446 D HN 0.389 nan 8.370 nan 0.000 0.420 447 S N -0.095 114.998 115.700 -1.012 0.000 2.383 447 S HA -0.015 4.457 4.470 0.002 0.000 0.229 447 S C 1.622 176.040 174.600 -0.303 0.000 1.030 447 S CA 1.296 59.018 58.200 -0.798 0.000 1.002 447 S CB -0.225 62.672 63.200 -0.505 0.000 0.829 447 S HN 0.530 nan 8.310 nan 0.000 0.467 448 G N 0.285 108.943 108.800 -0.236 0.000 3.519 448 G HA2 0.354 4.316 3.960 0.002 0.000 0.269 448 G HA3 0.354 4.316 3.960 0.002 0.000 0.269 448 G C 0.761 175.628 174.900 -0.055 0.000 1.028 448 G CA 0.302 45.335 45.100 -0.112 0.000 0.809 448 G HN 0.699 nan 8.290 nan 0.000 0.521 449 S N -1.114 114.531 115.700 -0.092 0.000 2.650 449 S HA 0.511 4.982 4.470 0.002 0.000 0.240 449 S C -0.211 174.411 174.600 0.037 0.000 1.007 449 S CA -0.330 57.844 58.200 -0.043 0.000 0.984 449 S CB 1.015 64.153 63.200 -0.104 0.000 0.910 449 S HN 0.489 nan 8.310 nan 0.000 0.509 450 V N 0.742 120.685 119.914 0.049 0.000 2.924 450 V HA 0.666 4.788 4.120 0.002 0.000 0.300 450 V C -1.750 174.417 176.094 0.121 0.000 1.227 450 V CA -0.239 62.138 62.300 0.129 0.000 0.954 450 V CB 2.106 33.992 31.823 0.104 0.000 1.055 450 V HN 0.307 nan 8.190 nan 0.000 0.429 451 S N 4.033 119.838 115.700 0.175 0.000 2.498 451 S HA 0.769 5.240 4.470 0.002 0.000 0.317 451 S C -0.536 174.170 174.600 0.178 0.000 1.090 451 S CA -0.396 57.900 58.200 0.161 0.000 1.089 451 S CB 1.481 64.789 63.200 0.180 0.000 0.997 451 S HN 1.040 nan 8.310 nan 0.000 0.470 452 S N 3.567 119.359 115.700 0.153 0.000 2.333 452 S HA 0.355 4.826 4.470 0.002 0.000 0.208 452 S C -2.651 172.038 174.600 0.149 0.000 0.911 452 S CA -0.899 57.407 58.200 0.175 0.000 1.075 452 S CB 0.618 63.922 63.200 0.173 0.000 1.293 452 S HN 0.291 nan 8.310 nan 0.000 0.396 453 P HA 0.040 nan 4.420 nan 0.000 0.225 453 P C 0.668 178.043 177.300 0.125 0.000 1.148 453 P CA 0.803 63.972 63.100 0.114 0.000 0.779 453 P CB 0.089 31.849 31.700 0.099 0.000 0.780 454 N N -1.611 117.197 118.700 0.180 0.000 2.270 454 N HA 0.096 4.838 4.740 0.002 0.000 0.198 454 N C 1.119 176.731 175.510 0.171 0.000 1.117 454 N CA 0.208 53.383 53.050 0.208 0.000 0.845 454 N CB 0.472 39.089 38.487 0.217 0.000 0.980 454 N HN 0.169 nan 8.380 nan 0.000 0.486 455 R N 0.000 120.579 120.500 0.131 0.000 3.040 455 R HA 0.165 4.507 4.340 0.002 0.000 0.097 455 R C 0.482 176.786 176.300 0.006 0.000 0.899 455 R CA -0.095 56.056 56.100 0.086 0.000 0.710 455 R CB 0.039 30.421 30.300 0.137 0.000 0.643 455 R HN -0.221 nan 8.270 nan 0.000 0.353 456 E N 0.384 120.615 120.200 0.052 0.000 2.153 456 E HA -0.111 4.241 4.350 0.002 0.000 0.194 456 E C 0.858 177.517 176.600 0.098 0.000 0.988 456 E CA 2.036 58.493 56.400 0.096 0.000 0.811 456 E CB 0.072 29.875 29.700 0.171 0.000 0.746 456 E HN 0.545 nan 8.360 nan 0.000 0.466 457 T N -1.999 112.600 114.554 0.075 0.000 3.215 457 T HA 0.163 4.515 4.350 0.002 0.000 0.271 457 T C 0.221 174.950 174.700 0.050 0.000 1.012 457 T CA -0.481 61.651 62.100 0.052 0.000 0.899 457 T CB -0.056 68.834 68.868 0.037 0.000 1.089 457 T HN -0.001 nan 8.240 nan 0.000 0.552 458 E N 1.676 121.903 120.200 0.045 0.000 2.417 458 E HA 0.347 4.698 4.350 0.002 0.000 0.261 458 E C 0.686 177.307 176.600 0.034 0.000 1.000 458 E CA 0.375 56.801 56.400 0.043 0.000 0.919 458 E CB -0.034 29.696 29.700 0.051 0.000 0.955 458 E HN 0.575 nan 8.360 nan 0.000 0.455 459 A N 5.113 127.951 122.820 0.030 0.000 2.739 459 A HA -0.182 4.139 4.320 0.002 0.000 0.296 459 A C 0.281 177.905 177.584 0.067 0.000 1.488 459 A CA 0.677 52.733 52.037 0.032 0.000 0.746 459 A CB -1.442 17.574 19.000 0.027 0.000 1.047 459 A HN 0.585 nan 8.150 nan 0.000 0.477 460 M N -0.114 119.529 119.600 0.072 0.000 2.251 460 M HA 0.009 4.490 4.480 0.002 0.000 0.343 460 M C 1.810 178.145 176.300 0.058 0.000 1.245 460 M CA 0.980 56.351 55.300 0.118 0.000 1.061 460 M CB -0.120 32.517 32.600 0.061 0.000 1.723 460 M HN 0.692 nan 8.290 nan 0.000 0.449 461 R N 1.924 122.439 120.500 0.024 0.000 2.193 461 R HA -0.155 4.187 4.340 0.002 0.000 0.229 461 R C 0.637 176.863 176.300 -0.124 0.000 1.110 461 R CA 1.845 57.875 56.100 -0.117 0.000 0.988 461 R CB -0.395 29.695 30.300 -0.349 0.000 0.871 461 R HN 0.681 nan 8.270 nan 0.000 0.458 462 D N -0.804 119.527 120.400 -0.114 0.000 2.349 462 D HA 0.104 4.746 4.640 0.002 0.000 0.214 462 D C 1.064 177.345 176.300 -0.031 0.000 1.063 462 D CA 0.441 54.395 54.000 -0.077 0.000 0.847 462 D CB 0.411 41.164 40.800 -0.079 0.000 0.933 462 D HN 0.396 nan 8.370 nan 0.000 0.513 463 G N 0.755 109.544 108.800 -0.018 0.000 2.141 463 G HA2 -0.323 3.638 3.960 0.002 0.000 0.242 463 G HA3 -0.323 3.638 3.960 0.002 0.000 0.242 463 G C 0.850 175.759 174.900 0.014 0.000 0.982 463 G CA 0.588 45.686 45.100 -0.003 0.000 0.662 463 G HN 0.686 nan 8.290 nan 0.000 0.527 464 S N 0.067 115.783 115.700 0.026 0.000 2.710 464 S HA 0.225 4.696 4.470 0.002 0.000 0.224 464 S C 1.458 176.100 174.600 0.069 0.000 0.948 464 S CA 0.859 59.096 58.200 0.062 0.000 0.949 464 S CB 0.151 63.409 63.200 0.096 0.000 0.778 464 S HN 0.281 nan 8.310 nan 0.000 0.498 465 D N 3.519 123.947 120.400 0.046 0.000 2.192 465 D HA -0.183 4.458 4.640 0.002 0.000 0.189 465 D C 1.872 178.218 176.300 0.077 0.000 1.007 465 D CA 2.078 56.108 54.000 0.052 0.000 0.859 465 D CB -0.591 40.231 40.800 0.038 0.000 0.936 465 D HN 0.674 nan 8.370 nan 0.000 0.447 466 A N 0.132 122.995 122.820 0.071 0.000 2.251 466 A HA 0.172 4.493 4.320 0.002 0.000 0.209 466 A C 0.726 178.363 177.584 0.088 0.000 1.187 466 A CA -0.142 51.939 52.037 0.073 0.000 0.823 466 A CB 0.190 19.215 19.000 0.043 0.000 0.846 466 A HN 0.076 nan 8.150 nan 0.000 0.486 467 V N 2.355 122.343 119.914 0.124 0.000 2.421 467 V HA 0.069 4.190 4.120 0.002 0.000 0.271 467 V C 1.256 177.461 176.094 0.186 0.000 1.031 467 V CA 0.923 63.306 62.300 0.139 0.000 1.032 467 V CB 0.536 32.483 31.823 0.207 0.000 1.009 467 V HN 0.593 nan 8.190 nan 0.000 0.477 468 S N 1.154 116.904 115.700 0.084 0.000 2.568 468 S HA 0.063 4.535 4.470 0.002 0.000 0.232 468 S C 0.937 175.542 174.600 0.008 0.000 0.975 468 S CA -0.397 57.857 58.200 0.090 0.000 0.949 468 S CB 0.002 63.245 63.200 0.071 0.000 0.829 468 S HN 0.706 nan 8.310 nan 0.000 0.479 469 D N 2.033 122.352 120.400 -0.135 0.000 2.149 469 D HA -0.107 4.535 4.640 0.002 0.000 0.198 469 D C 1.046 177.214 176.300 -0.219 0.000 0.990 469 D CA 1.140 54.976 54.000 -0.274 0.000 0.839 469 D CB -0.238 40.246 40.800 -0.526 0.000 0.948 469 D HN 0.621 nan 8.370 nan 0.000 0.460 470 W N 1.518 122.807 121.300 -0.018 0.000 2.353 470 W HA -0.095 4.566 4.660 0.002 0.000 0.319 470 W C -0.334 176.169 176.519 -0.026 0.000 1.207 470 W CA 0.706 58.036 57.345 -0.025 0.000 1.291 470 W CB -1.840 27.600 29.460 -0.032 0.000 1.159 470 W HN 0.140 nan 8.180 nan 0.000 0.478 471 P HA -0.141 nan 4.420 nan 0.000 0.218 471 P C 1.492 178.817 177.300 0.042 0.000 1.149 471 P CA 1.329 64.490 63.100 0.102 0.000 0.817 471 P CB -0.091 31.674 31.700 0.109 0.000 0.785 472 L N -0.684 120.553 121.223 0.024 0.000 2.017 472 L HA -0.106 4.235 4.340 0.002 0.000 0.208 472 L C 2.812 179.671 176.870 -0.019 0.000 1.073 472 L CA 1.632 56.465 54.840 -0.012 0.000 0.745 472 L CB -1.844 40.195 42.059 -0.034 0.000 0.894 472 L HN -0.120 nan 8.230 nan 0.000 0.432 473 L N -0.473 120.737 121.223 -0.021 0.000 2.083 473 L HA -0.238 4.104 4.340 0.002 0.000 0.209 473 L C 2.465 179.342 176.870 0.010 0.000 1.083 473 L CA 1.322 56.151 54.840 -0.017 0.000 0.752 473 L CB -0.663 41.378 42.059 -0.030 0.000 0.899 473 L HN 0.484 nan 8.230 nan 0.000 0.433 474 N N 0.610 119.329 118.700 0.030 0.000 2.084 474 N HA -0.192 4.550 4.740 0.002 0.000 0.190 474 N C 1.847 177.345 175.510 -0.020 0.000 1.030 474 N CA 1.633 54.691 53.050 0.013 0.000 0.849 474 N CB 0.129 38.623 38.487 0.012 0.000 1.012 474 N HN 0.317 nan 8.380 nan 0.000 0.423 475 A N 1.648 124.450 122.820 -0.031 0.000 1.898 475 A HA -0.032 4.290 4.320 0.002 0.000 0.216 475 A C 2.555 180.124 177.584 -0.025 0.000 1.181 475 A CA 0.807 52.819 52.037 -0.042 0.000 0.620 475 A CB -0.733 18.241 19.000 -0.044 0.000 0.819 475 A HN 0.335 nan 8.150 nan 0.000 0.442 476 L N -1.121 120.091 121.223 -0.019 0.000 2.012 476 L HA -0.196 4.146 4.340 0.002 0.000 0.210 476 L C 2.580 179.446 176.870 -0.007 0.000 1.073 476 L CA 1.351 56.183 54.840 -0.014 0.000 0.748 476 L CB -0.560 41.488 42.059 -0.019 0.000 0.891 476 L HN 0.463 nan 8.230 nan 0.000 0.431 477 L N 0.030 121.250 121.223 -0.006 0.000 2.056 477 L HA -0.166 4.175 4.340 0.002 0.000 0.207 477 L C 2.249 179.118 176.870 -0.002 0.000 1.078 477 L CA 1.719 56.559 54.840 0.000 0.000 0.749 477 L CB -0.797 41.265 42.059 0.005 0.000 0.901 477 L HN 0.227 nan 8.230 nan 0.000 0.433 478 N N -0.945 117.747 118.700 -0.013 0.000 2.223 478 N HA -0.143 4.598 4.740 0.002 0.000 0.185 478 N C 1.667 177.173 175.510 -0.008 0.000 1.016 478 N CA 1.726 54.765 53.050 -0.019 0.000 0.863 478 N CB -0.364 38.096 38.487 -0.044 0.000 0.983 478 N HN 0.425 nan 8.380 nan 0.000 0.429 479 T N 0.896 115.448 114.554 -0.004 0.000 2.708 479 T HA -0.060 4.292 4.350 0.002 0.000 0.266 479 T C 1.958 176.671 174.700 0.022 0.000 1.037 479 T CA 1.419 63.524 62.100 0.007 0.000 1.146 479 T CB -0.312 68.558 68.868 0.005 0.000 0.865 479 T HN 0.327 nan 8.240 nan 0.000 0.435 480 A N 1.137 123.973 122.820 0.025 0.000 1.969 480 A HA 0.165 4.487 4.320 0.002 0.000 0.218 480 A C 2.532 180.145 177.584 0.049 0.000 1.169 480 A CA 1.676 53.739 52.037 0.043 0.000 0.635 480 A CB -1.071 17.946 19.000 0.029 0.000 0.810 480 A HN 0.522 nan 8.150 nan 0.000 0.445 481 G N -1.785 107.034 108.800 0.031 0.000 2.551 481 G HA2 0.341 4.302 3.960 0.002 0.000 0.216 481 G HA3 0.341 4.302 3.960 0.002 0.000 0.216 481 G C 1.075 175.997 174.900 0.037 0.000 1.137 481 G CA 0.626 45.743 45.100 0.029 0.000 0.798 481 G HN 1.691 nan 8.290 nan 0.000 0.536 482 G N -1.033 107.789 108.800 0.037 0.000 2.173 482 G HA2 0.240 4.201 3.960 0.002 0.000 0.174 482 G HA3 0.240 4.201 3.960 0.002 0.000 0.174 482 G C 0.363 175.280 174.900 0.028 0.000 1.025 482 G CA 0.091 45.216 45.100 0.042 0.000 0.706 482 G HN 1.206 nan 8.290 nan 0.000 0.499 483 A N -0.358 122.466 122.820 0.007 0.000 2.466 483 A HA 0.636 4.957 4.320 0.002 0.000 0.238 483 A C 1.645 179.244 177.584 0.025 0.000 1.074 483 A CA 1.483 53.510 52.037 -0.017 0.000 0.774 483 A CB 0.269 19.232 19.000 -0.060 0.000 1.015 483 A HN 0.825 nan 8.150 nan 0.000 0.498 484 T N 0.345 114.917 114.554 0.031 0.000 2.896 484 T HA 0.083 4.435 4.350 0.002 0.000 0.263 484 T C 0.196 175.129 174.700 0.388 0.000 1.050 484 T CA 1.754 63.973 62.100 0.198 0.000 1.140 484 T CB -0.274 68.765 68.868 0.285 0.000 0.877 484 T HN 0.843 nan 8.240 nan 0.000 0.457 485 W N -0.273 121.062 121.300 0.060 0.000 3.127 485 W HA 0.734 5.395 4.660 0.002 0.000 0.330 485 W C -2.107 174.409 176.519 -0.005 0.000 1.187 485 W CA -1.264 56.101 57.345 0.034 0.000 1.198 485 W CB 1.192 30.686 29.460 0.056 0.000 1.408 485 W HN -0.340 nan 8.180 nan 0.000 0.529 486 V N 2.907 122.911 119.914 0.149 0.000 2.709 486 V HA 0.687 4.808 4.120 0.002 0.000 0.308 486 V C -0.582 175.531 176.094 0.032 0.000 1.062 486 V CA -0.725 61.583 62.300 0.014 0.000 0.901 486 V CB 1.841 33.663 31.823 -0.002 0.000 1.003 486 V HN 0.688 nan 8.190 nan 0.000 0.425 487 S N 4.559 120.236 115.700 -0.039 0.000 2.548 487 S HA 0.806 5.277 4.470 0.002 0.000 0.286 487 S C -0.996 173.578 174.600 -0.044 0.000 1.098 487 S CA -0.653 57.542 58.200 -0.008 0.000 0.930 487 S CB 1.941 65.121 63.200 -0.033 0.000 1.070 487 S HN 0.538 nan 8.310 nan 0.000 0.480 488 L N 2.708 123.983 121.223 0.087 0.000 2.372 488 L HA 0.536 4.877 4.340 0.002 0.000 0.274 488 L C -0.669 176.351 176.870 0.249 0.000 0.988 488 L CA -0.376 54.509 54.840 0.075 0.000 0.833 488 L CB 1.397 43.476 42.059 0.034 0.000 1.236 488 L HN 0.705 nan 8.230 nan 0.000 0.410 489 H N 1.521 120.532 119.070 -0.099 0.000 2.771 489 H HA 0.449 5.007 4.556 0.002 0.000 0.367 489 H C -1.327 173.802 175.328 -0.332 0.000 1.172 489 H CA -0.880 55.075 56.048 -0.155 0.000 1.186 489 H CB 3.019 32.736 29.762 -0.075 0.000 1.790 489 H HN 0.541 nan 8.280 nan 0.000 0.556 490 H N -0.248 118.773 119.070 -0.080 0.000 2.600 490 H HA 0.293 4.851 4.556 0.002 0.000 0.357 490 H C 0.475 175.907 175.328 0.173 0.000 1.106 490 H CA 0.245 56.280 56.048 -0.022 0.000 1.193 490 H CB 1.536 31.303 29.762 0.008 0.000 1.594 490 H HN 1.028 nan 8.280 nan 0.000 0.526 491 G N 3.111 111.803 108.800 -0.180 0.000 2.159 491 G HA2 -0.251 3.711 3.960 0.002 0.000 0.256 491 G HA3 -0.251 3.711 3.960 0.002 0.000 0.256 491 G C 0.611 175.695 174.900 0.306 0.000 0.977 491 G CA 0.127 45.123 45.100 -0.173 0.000 0.652 491 G HN 0.980 nan 8.290 nan 0.000 0.531 492 G N -1.120 107.991 108.800 0.519 0.000 2.432 492 G HA2 0.514 4.475 3.960 0.002 0.000 0.239 492 G HA3 0.514 4.475 3.960 0.002 0.000 0.239 492 G C 1.559 176.480 174.900 0.035 0.000 1.291 492 G CA 1.593 46.793 45.100 0.168 0.000 0.863 492 G HN 1.830 nan 8.290 nan 0.000 0.560 493 G N 0.237 109.019 108.800 -0.030 0.000 3.444 493 G HA2 -0.303 3.658 3.960 0.002 0.000 0.222 493 G HA3 -0.303 3.658 3.960 0.002 0.000 0.222 493 G C 1.370 176.267 174.900 -0.006 0.000 1.358 493 G CA 1.412 46.491 45.100 -0.035 0.000 0.880 493 G HN 2.018 nan 8.290 nan 0.000 0.555 494 V N -1.013 118.973 119.914 0.121 0.000 3.578 494 V HA 0.655 4.776 4.120 0.002 0.000 0.290 494 V C 1.398 177.664 176.094 0.287 0.000 1.376 494 V CA 0.826 63.235 62.300 0.181 0.000 1.083 494 V CB -0.265 31.659 31.823 0.169 0.000 0.911 494 V HN 2.545 nan 8.190 nan 0.000 0.433 495 G N 0.531 109.531 108.800 0.332 0.000 2.712 495 G HA2 -0.101 3.860 3.960 0.002 0.000 0.683 495 G HA3 -0.101 3.860 3.960 0.002 0.000 0.683 495 G C -0.551 174.301 174.900 -0.081 0.000 1.320 495 G CA -0.458 44.833 45.100 0.319 0.000 0.847 495 G HN 0.248 nan 8.290 nan 0.000 0.553 496 M N 1.203 120.326 119.600 -0.794 0.000 2.261 496 M HA 0.310 4.791 4.480 0.002 0.000 0.350 496 M C 1.827 177.997 176.300 -0.215 0.000 1.343 496 M CA 2.033 56.867 55.300 -0.778 0.000 1.003 496 M CB -0.564 31.353 32.600 -1.138 0.000 1.848 496 M HN 2.546 nan 8.290 nan 0.000 0.456 497 G N 3.020 111.833 108.800 0.022 0.000 2.241 497 G HA2 -0.287 3.675 3.960 0.002 0.000 0.244 497 G HA3 -0.287 3.675 3.960 0.002 0.000 0.244 497 G C 0.407 175.112 174.900 -0.325 0.000 0.998 497 G CA 0.017 45.032 45.100 -0.142 0.000 0.621 497 G HN 0.612 nan 8.290 nan 0.000 0.519 498 F N 2.095 122.102 119.950 0.096 0.000 2.704 498 F HA 0.498 5.026 4.527 0.002 0.000 0.304 498 F C 1.303 177.188 175.800 0.142 0.000 1.094 498 F CA 0.667 58.731 58.000 0.107 0.000 1.275 498 F CB 0.976 40.036 39.000 0.100 0.000 1.073 498 F HN 0.491 nan 8.300 nan 0.000 0.586 499 S N -0.830 115.048 115.700 0.298 0.000 2.565 499 S HA 0.684 5.155 4.470 0.002 0.000 0.269 499 S C -1.210 173.611 174.600 0.368 0.000 1.153 499 S CA -0.879 57.518 58.200 0.327 0.000 0.835 499 S CB 2.441 65.858 63.200 0.361 0.000 1.122 499 S HN 0.086 nan 8.310 nan 0.000 0.462 500 Q N 0.420 120.417 119.800 0.328 0.000 2.359 500 Q HA 0.690 5.031 4.340 0.002 0.000 0.274 500 Q C -1.555 174.576 176.000 0.218 0.000 1.074 500 Q CA -0.712 55.199 55.803 0.180 0.000 0.810 500 Q CB 2.326 31.136 28.738 0.121 0.000 1.342 500 Q HN 0.992 nan 8.270 nan 0.000 0.427 501 H N -1.988 117.186 119.070 0.174 0.000 3.003 501 H HA 0.673 5.231 4.556 0.002 0.000 0.327 501 H C -1.352 174.002 175.328 0.043 0.000 1.353 501 H CA -1.091 55.033 56.048 0.127 0.000 1.142 501 H CB 1.014 30.893 29.762 0.195 0.000 1.864 501 H HN 0.551 nan 8.280 nan 0.000 0.529 502 S N 0.525 116.202 115.700 -0.039 0.000 2.600 502 S HA 0.893 5.365 4.470 0.002 0.000 0.300 502 S C -0.063 174.035 174.600 -0.836 0.000 1.087 502 S CA -0.383 57.632 58.200 -0.309 0.000 0.965 502 S CB 1.989 65.091 63.200 -0.163 0.000 1.089 502 S HN 1.215 nan 8.310 nan 0.000 0.496 503 G N 0.360 108.636 108.800 -0.874 0.000 2.533 503 G HA2 0.709 4.670 3.960 0.002 0.000 0.304 503 G HA3 0.709 4.670 3.960 0.002 0.000 0.304 503 G C -1.013 173.692 174.900 -0.325 0.000 1.263 503 G CA -1.094 43.545 45.100 -0.767 0.000 0.964 503 G HN 1.089 nan 8.290 nan 0.000 0.479 504 M N -0.068 119.381 119.600 -0.252 0.000 2.421 504 M HA 0.801 5.282 4.480 0.002 0.000 0.287 504 M C -1.633 174.448 176.300 -0.366 0.000 1.183 504 M CA -1.000 54.147 55.300 -0.255 0.000 0.916 504 M CB 1.986 34.484 32.600 -0.171 0.000 1.701 504 M HN 0.387 nan 8.290 nan 0.000 0.470 505 V N 3.430 122.972 119.914 -0.621 0.000 2.760 505 V HA 0.719 4.840 4.120 0.002 0.000 0.309 505 V C -1.194 174.551 176.094 -0.581 0.000 1.077 505 V CA -0.616 61.215 62.300 -0.783 0.000 0.910 505 V CB 2.098 32.959 31.823 -1.603 0.000 1.008 505 V HN 1.011 nan 8.190 nan 0.000 0.424 506 I N 3.502 123.881 120.570 -0.318 0.000 2.498 506 I HA 0.617 4.788 4.170 0.002 0.000 0.290 506 I C -0.854 175.238 176.117 -0.042 0.000 1.032 506 I CA -0.701 60.521 61.300 -0.130 0.000 1.073 506 I CB 2.048 40.015 38.000 -0.055 0.000 1.251 506 I HN 0.426 nan 8.210 nan 0.000 0.426 507 V N 6.410 126.355 119.914 0.050 0.000 2.498 507 V HA 0.191 4.312 4.120 0.002 0.000 0.279 507 V C -0.261 175.872 176.094 0.064 0.000 1.048 507 V CA -0.494 61.868 62.300 0.103 0.000 0.967 507 V CB 0.961 32.907 31.823 0.205 0.000 0.988 507 V HN 0.776 nan 8.190 nan 0.000 0.473 508 C N 4.514 123.836 119.300 0.036 0.000 2.168 508 C HA 0.333 4.795 4.460 0.002 0.000 0.333 508 C C 1.119 176.081 174.990 -0.047 0.000 1.106 508 C CA -0.740 58.283 59.018 0.009 0.000 1.574 508 C CB -0.902 26.852 27.740 0.025 0.000 2.055 508 C HN 0.984 nan 8.230 nan 0.000 0.473 509 D N 0.525 120.906 120.400 -0.032 0.000 2.363 509 D HA 0.208 4.849 4.640 0.002 0.000 0.214 509 D C 1.493 177.747 176.300 -0.076 0.000 1.093 509 D CA 0.548 54.492 54.000 -0.093 0.000 0.837 509 D CB -0.066 40.744 40.800 0.017 0.000 0.948 509 D HN 0.790 nan 8.370 nan 0.000 0.507 510 G N 0.321 109.095 108.800 -0.044 0.000 2.176 510 G HA2 -0.277 3.685 3.960 0.002 0.000 0.253 510 G HA3 -0.277 3.685 3.960 0.002 0.000 0.253 510 G C 0.520 175.418 174.900 -0.003 0.000 0.979 510 G CA 0.559 45.642 45.100 -0.029 0.000 0.641 510 G HN 0.790 nan 8.290 nan 0.000 0.530 511 T N -1.708 112.854 114.554 0.012 0.000 2.899 511 T HA 0.534 4.886 4.350 0.002 0.000 0.284 511 T C 1.080 175.793 174.700 0.021 0.000 1.004 511 T CA 0.302 62.416 62.100 0.025 0.000 1.043 511 T CB 1.475 70.369 68.868 0.043 0.000 1.013 511 T HN -0.056 nan 8.240 nan 0.000 0.518 512 D N 1.074 121.487 120.400 0.022 0.000 2.149 512 D HA -0.104 4.537 4.640 0.002 0.000 0.198 512 D C 1.856 178.170 176.300 0.024 0.000 0.990 512 D CA 1.399 55.410 54.000 0.019 0.000 0.839 512 D CB -0.127 40.684 40.800 0.018 0.000 0.948 512 D HN 0.718 nan 8.370 nan 0.000 0.460 513 E N 0.968 121.188 120.200 0.033 0.000 2.051 513 E HA -0.068 4.284 4.350 0.002 0.000 0.192 513 E C 2.113 178.738 176.600 0.042 0.000 0.991 513 E CA 1.196 57.621 56.400 0.042 0.000 0.799 513 E CB -0.406 29.327 29.700 0.055 0.000 0.748 513 E HN 0.251 nan 8.360 nan 0.000 0.449 514 A N 1.111 123.957 122.820 0.043 0.000 1.902 514 A HA -0.138 4.183 4.320 0.002 0.000 0.217 514 A C 2.390 179.988 177.584 0.024 0.000 1.181 514 A CA 1.987 54.048 52.037 0.039 0.000 0.623 514 A CB -0.981 18.043 19.000 0.039 0.000 0.818 514 A HN 0.286 nan 8.150 nan 0.000 0.443 515 A N -0.106 122.723 122.820 0.016 0.000 1.892 515 A HA -0.246 4.076 4.320 0.002 0.000 0.218 515 A C 1.930 179.517 177.584 0.004 0.000 1.188 515 A CA 1.885 53.924 52.037 0.004 0.000 0.631 515 A CB -0.642 18.358 19.000 0.001 0.000 0.822 515 A HN 0.659 nan 8.150 nan 0.000 0.447 516 E N -0.703 119.504 120.200 0.012 0.000 2.077 516 E HA -0.187 4.164 4.350 0.002 0.000 0.193 516 E C 2.383 178.992 176.600 0.016 0.000 0.989 516 E CA 1.175 57.582 56.400 0.012 0.000 0.800 516 E CB -0.175 29.535 29.700 0.017 0.000 0.746 516 E HN 0.560 nan 8.360 nan 0.000 0.452 517 R N 0.414 120.928 120.500 0.025 0.000 2.066 517 R HA -0.096 4.245 4.340 0.002 0.000 0.232 517 R C 2.455 178.764 176.300 0.015 0.000 1.131 517 R CA 1.121 57.238 56.100 0.027 0.000 0.955 517 R CB -0.393 29.930 30.300 0.039 0.000 0.851 517 R HN 0.179 nan 8.270 nan 0.000 0.432 518 I N 0.933 121.509 120.570 0.011 0.000 2.163 518 I HA -0.301 3.870 4.170 0.002 0.000 0.243 518 I C 2.696 178.808 176.117 -0.008 0.000 1.085 518 I CA 1.444 62.746 61.300 0.003 0.000 1.347 518 I CB -0.486 37.513 38.000 -0.002 0.000 1.044 518 I HN 0.201 nan 8.210 nan 0.000 0.408 519 A N 0.482 123.293 122.820 -0.013 0.000 1.908 519 A HA -0.272 4.049 4.320 0.002 0.000 0.218 519 A C 2.388 179.960 177.584 -0.019 0.000 1.181 519 A CA 2.017 54.040 52.037 -0.023 0.000 0.627 519 A CB -0.641 18.348 19.000 -0.019 0.000 0.818 519 A HN 0.316 nan 8.150 nan 0.000 0.445 520 R N -0.914 119.581 120.500 -0.008 0.000 2.064 520 R HA -0.061 4.281 4.340 0.002 0.000 0.228 520 R C 2.076 178.372 176.300 -0.007 0.000 1.144 520 R CA 1.783 57.880 56.100 -0.004 0.000 0.932 520 R CB -0.503 29.801 30.300 0.006 0.000 0.833 520 R HN 0.291 nan 8.270 nan 0.000 0.429 521 V N 1.027 120.939 119.914 -0.003 0.000 2.427 521 V HA -0.187 3.934 4.120 0.002 0.000 0.248 521 V C 2.053 178.143 176.094 -0.007 0.000 1.051 521 V CA 1.489 63.786 62.300 -0.005 0.000 1.048 521 V CB -0.306 31.514 31.823 -0.005 0.000 0.666 521 V HN 0.352 nan 8.190 nan 0.000 0.456 522 L N -0.688 120.533 121.223 -0.004 0.000 2.554 522 L HA -0.029 4.313 4.340 0.002 0.000 0.226 522 L C 2.295 179.134 176.870 -0.051 0.000 1.137 522 L CA 0.795 55.630 54.840 -0.008 0.000 0.863 522 L CB -0.548 41.520 42.059 0.015 0.000 0.985 522 L HN 0.355 nan 8.230 nan 0.000 0.451 523 T N -0.852 113.676 114.554 -0.043 0.000 2.866 523 T HA -0.030 4.321 4.350 0.002 0.000 0.250 523 T C 1.675 176.351 174.700 -0.039 0.000 1.033 523 T CA 0.827 62.898 62.100 -0.048 0.000 1.145 523 T CB -0.038 68.808 68.868 -0.037 0.000 0.866 523 T HN 0.243 nan 8.240 nan 0.000 0.434 524 N N 1.533 120.218 118.700 -0.025 0.000 2.120 524 N HA -0.092 4.650 4.740 0.002 0.000 0.188 524 N C 1.622 177.119 175.510 -0.022 0.000 1.024 524 N CA 1.131 54.171 53.050 -0.017 0.000 0.852 524 N CB -0.564 37.918 38.487 -0.008 0.000 1.003 524 N HN 0.378 nan 8.380 nan 0.000 0.424 525 D N 0.708 121.090 120.400 -0.030 0.000 2.078 525 D HA -0.069 4.572 4.640 0.002 0.000 0.193 525 D C -0.912 175.351 176.300 -0.061 0.000 0.990 525 D CA 1.173 55.149 54.000 -0.040 0.000 0.827 525 D CB -0.789 39.991 40.800 -0.033 0.000 0.975 525 D HN 0.198 nan 8.370 nan 0.000 0.451 526 P HA -0.029 nan 4.420 nan 0.000 0.219 526 P C 1.647 178.899 177.300 -0.078 0.000 1.150 526 P CA 1.583 64.621 63.100 -0.103 0.000 0.814 526 P CB -0.320 31.304 31.700 -0.127 0.000 0.787 527 G N 0.830 109.597 108.800 -0.055 0.000 2.469 527 G HA2 -0.300 3.662 3.960 0.002 0.000 0.219 527 G HA3 -0.300 3.662 3.960 0.002 0.000 0.219 527 G C 1.665 176.558 174.900 -0.013 0.000 1.150 527 G CA 2.078 47.160 45.100 -0.031 0.000 0.763 527 G HN 0.412 nan 8.290 nan 0.000 0.561 528 T N -1.475 113.076 114.554 -0.006 0.000 2.915 528 T HA 0.109 4.460 4.350 0.002 0.000 0.269 528 T C 2.378 177.071 174.700 -0.011 0.000 1.071 528 T CA 1.568 63.685 62.100 0.028 0.000 1.132 528 T CB -0.339 68.560 68.868 0.051 0.000 0.878 528 T HN 0.240 nan 8.240 nan 0.000 0.479 529 G N 0.943 109.712 108.800 -0.052 0.000 2.396 529 G HA2 -0.027 3.934 3.960 0.002 0.000 0.214 529 G HA3 -0.027 3.934 3.960 0.002 0.000 0.214 529 G C 1.606 176.511 174.900 0.009 0.000 1.166 529 G CA 0.678 45.742 45.100 -0.059 0.000 0.793 529 G HN 0.468 nan 8.290 nan 0.000 0.533 530 V N 1.381 121.275 119.914 -0.033 0.000 2.295 530 V HA -0.234 3.887 4.120 0.002 0.000 0.246 530 V C 2.697 178.794 176.094 0.004 0.000 1.049 530 V CA 2.170 64.461 62.300 -0.015 0.000 1.024 530 V CB -0.496 31.310 31.823 -0.029 0.000 0.648 530 V HN 0.503 nan 8.190 nan 0.000 0.447 531 M N -0.117 119.478 119.600 -0.009 0.000 2.073 531 M HA -0.250 4.231 4.480 0.002 0.000 0.258 531 M C 2.459 178.671 176.300 -0.147 0.000 1.070 531 M CA 2.084 57.379 55.300 -0.009 0.000 1.103 531 M CB -0.414 32.223 32.600 0.063 0.000 1.321 531 M HN 0.156 nan 8.290 nan 0.000 0.405 532 R N -0.625 119.673 120.500 -0.335 0.000 2.081 532 R HA -0.193 4.148 4.340 0.002 0.000 0.235 532 R C 1.690 177.609 176.300 -0.635 0.000 1.131 532 R CA 2.315 57.856 56.100 -0.932 0.000 0.960 532 R CB -0.746 28.955 30.300 -0.998 0.000 0.856 532 R HN 0.600 nan 8.270 nan 0.000 0.436 533 H N -0.524 118.388 119.070 -0.263 0.000 2.436 533 H HA 0.113 4.670 4.556 0.002 0.000 0.294 533 H C 1.862 177.232 175.328 0.070 0.000 1.048 533 H CA 1.393 57.419 56.048 -0.036 0.000 1.353 533 H CB -0.045 29.681 29.762 -0.060 0.000 1.414 533 H HN 0.354 nan 8.280 nan 0.000 0.536 534 A N 0.495 123.370 122.820 0.092 0.000 1.933 534 A HA -0.228 4.093 4.320 0.002 0.000 0.218 534 A C 1.971 179.565 177.584 0.017 0.000 1.175 534 A CA 1.939 54.013 52.037 0.063 0.000 0.628 534 A CB -0.579 18.445 19.000 0.040 0.000 0.814 534 A HN 0.501 nan 8.150 nan 0.000 0.444 535 D N -0.156 120.225 120.400 -0.031 0.000 2.123 535 D HA -0.063 4.578 4.640 0.002 0.000 0.196 535 D C 1.877 178.161 176.300 -0.026 0.000 0.992 535 D CA 1.478 55.477 54.000 -0.001 0.000 0.833 535 D CB -0.154 40.665 40.800 0.031 0.000 0.954 535 D HN 0.364 nan 8.370 nan 0.000 0.455 536 A N -0.824 121.946 122.820 -0.083 0.000 2.216 536 A HA 0.291 4.612 4.320 0.002 0.000 0.214 536 A C 1.848 179.295 177.584 -0.229 0.000 1.160 536 A CA 1.291 53.257 52.037 -0.118 0.000 0.725 536 A CB -0.658 18.298 19.000 -0.074 0.000 0.784 536 A HN 0.546 nan 8.150 nan 0.000 0.472 537 G N -2.791 105.922 108.800 -0.144 0.000 2.131 537 G HA2 -0.254 3.707 3.960 0.002 0.000 0.223 537 G HA3 -0.254 3.707 3.960 0.002 0.000 0.223 537 G C -0.166 174.616 174.900 -0.196 0.000 0.990 537 G CA 0.039 45.042 45.100 -0.162 0.000 0.671 537 G HN 0.391 nan 8.290 nan 0.000 0.521 538 Y N 1.567 121.868 120.300 0.001 0.000 2.480 538 Y HA 0.274 4.825 4.550 0.002 0.000 0.341 538 Y C 1.615 177.519 175.900 0.007 0.000 1.031 538 Y CA -0.118 57.991 58.100 0.014 0.000 1.295 538 Y CB 0.686 39.176 38.460 0.050 0.000 1.162 538 Y HN 0.089 nan 8.280 nan 0.000 0.523 539 D N 2.674 123.153 120.400 0.131 0.000 2.149 539 D HA -0.203 4.438 4.640 0.002 0.000 0.198 539 D C 2.095 178.436 176.300 0.069 0.000 0.990 539 D CA 1.500 55.543 54.000 0.072 0.000 0.839 539 D CB 0.153 40.979 40.800 0.044 0.000 0.948 539 D HN 0.641 nan 8.370 nan 0.000 0.460 540 I N 1.137 121.756 120.570 0.082 0.000 2.163 540 I HA -0.294 3.877 4.170 0.002 0.000 0.243 540 I C 2.516 178.653 176.117 0.033 0.000 1.085 540 I CA 1.214 62.537 61.300 0.039 0.000 1.347 540 I CB -0.216 37.791 38.000 0.011 0.000 1.044 540 I HN -0.065 nan 8.210 nan 0.000 0.408 541 A N 0.872 123.731 122.820 0.064 0.000 1.898 541 A HA -0.145 4.177 4.320 0.002 0.000 0.216 541 A C 2.292 179.903 177.584 0.045 0.000 1.181 541 A CA 1.350 53.419 52.037 0.053 0.000 0.620 541 A CB -0.773 18.297 19.000 0.115 0.000 0.819 541 A HN 0.359 nan 8.150 nan 0.000 0.442 542 I N 0.057 120.660 120.570 0.055 0.000 2.163 542 I HA -0.280 3.892 4.170 0.002 0.000 0.243 542 I C 1.951 178.080 176.117 0.021 0.000 1.085 542 I CA 1.664 62.984 61.300 0.034 0.000 1.347 542 I CB -0.460 37.558 38.000 0.030 0.000 1.044 542 I HN 0.254 nan 8.210 nan 0.000 0.408 543 D N 0.053 120.465 120.400 0.020 0.000 2.117 543 D HA -0.215 4.426 4.640 0.002 0.000 0.197 543 D C 2.203 178.505 176.300 0.004 0.000 0.987 543 D CA 1.305 55.311 54.000 0.010 0.000 0.829 543 D CB -0.641 40.165 40.800 0.009 0.000 0.961 543 D HN 0.423 nan 8.370 nan 0.000 0.460 544 C N 1.024 120.326 119.300 0.002 0.000 2.429 544 C HA 0.018 4.479 4.460 0.002 0.000 0.277 544 C C 2.867 177.853 174.990 -0.008 0.000 1.262 544 C CA 1.325 60.338 59.018 -0.008 0.000 1.733 544 C CB -1.069 26.661 27.740 -0.017 0.000 2.010 544 C HN 0.321 nan 8.230 nan 0.000 0.483 545 A N 0.522 123.342 122.820 -0.001 0.000 1.883 545 A HA -0.208 4.113 4.320 0.002 0.000 0.217 545 A C 2.237 179.821 177.584 0.000 0.000 1.186 545 A CA 2.060 54.097 52.037 0.001 0.000 0.624 545 A CB -0.646 18.360 19.000 0.010 0.000 0.822 545 A HN 0.771 nan 8.150 nan 0.000 0.444 546 K N -0.767 119.634 120.400 0.002 0.000 2.057 546 K HA -0.160 4.161 4.320 0.002 0.000 0.206 546 K C 2.141 178.740 176.600 -0.003 0.000 1.050 546 K CA 1.437 57.725 56.287 0.001 0.000 0.935 546 K CB -0.135 32.367 32.500 0.003 0.000 0.715 546 K HN 0.705 nan 8.250 nan 0.000 0.439 547 E N 0.744 120.941 120.200 -0.005 0.000 2.077 547 E HA -0.199 4.152 4.350 0.002 0.000 0.193 547 E C 1.726 178.319 176.600 -0.011 0.000 0.989 547 E CA 1.047 57.443 56.400 -0.008 0.000 0.800 547 E CB 0.280 29.974 29.700 -0.009 0.000 0.746 547 E HN 0.174 nan 8.360 nan 0.000 0.452 548 Q N -0.796 118.996 119.800 -0.013 0.000 2.403 548 Q HA 0.073 4.414 4.340 0.002 0.000 0.203 548 Q C 0.818 176.809 176.000 -0.014 0.000 0.932 548 Q CA 0.779 56.572 55.803 -0.018 0.000 0.945 548 Q CB 1.095 29.818 28.738 -0.025 0.000 1.045 548 Q HN 0.456 nan 8.270 nan 0.000 0.511 549 G N 1.646 110.440 108.800 -0.009 0.000 2.246 549 G HA2 -0.267 3.695 3.960 0.002 0.000 0.273 549 G HA3 -0.267 3.695 3.960 0.002 0.000 0.273 549 G C 0.014 174.911 174.900 -0.004 0.000 1.055 549 G CA 0.018 45.115 45.100 -0.006 0.000 0.851 549 G HN 0.277 nan 8.290 nan 0.000 0.500 550 L N -0.002 121.219 121.223 -0.002 0.000 2.456 550 L HA 0.246 4.588 4.340 0.002 0.000 0.272 550 L C 0.572 177.446 176.870 0.008 0.000 1.189 550 L CA -0.330 54.511 54.840 0.002 0.000 0.846 550 L CB 0.600 42.662 42.059 0.004 0.000 1.111 550 L HN 0.140 nan 8.230 nan 0.000 0.475 551 D N 4.479 124.885 120.400 0.010 0.000 2.441 551 D HA 0.281 4.923 4.640 0.002 0.000 0.221 551 D C -0.693 175.619 176.300 0.021 0.000 1.156 551 D CA -0.095 53.913 54.000 0.013 0.000 0.896 551 D CB 0.330 41.136 40.800 0.009 0.000 1.028 551 D HN 0.272 nan 8.370 nan 0.000 0.509 552 L N 5.867 127.104 121.223 0.024 0.000 2.356 552 L HA 0.284 4.625 4.340 0.002 0.000 0.264 552 L C -1.568 175.321 176.870 0.031 0.000 1.029 552 L CA -1.831 53.030 54.840 0.036 0.000 0.897 552 L CB 1.849 43.931 42.059 0.040 0.000 1.256 552 L HN 0.090 nan 8.230 nan 0.000 0.444 553 P HA -0.176 nan 4.420 nan 0.000 0.216 553 P C 1.586 178.898 177.300 0.021 0.000 1.154 553 P CA 1.412 64.524 63.100 0.020 0.000 0.865 553 P CB 0.200 31.910 31.700 0.016 0.000 0.789 554 M N -2.477 117.140 119.600 0.029 0.000 2.619 554 M HA 0.071 4.553 4.480 0.002 0.000 0.251 554 M C 1.674 177.988 176.300 0.025 0.000 1.106 554 M CA 0.981 56.297 55.300 0.027 0.000 1.086 554 M CB -0.726 31.896 32.600 0.036 0.000 1.465 554 M HN 0.074 nan 8.290 nan 0.000 0.506 555 I N -1.174 119.411 120.570 0.026 0.000 3.570 555 I HA -0.048 4.124 4.170 0.002 0.000 0.270 555 I C 1.967 178.093 176.117 0.015 0.000 1.162 555 I CA 0.847 62.160 61.300 0.021 0.000 1.413 555 I CB 0.031 38.046 38.000 0.025 0.000 1.437 555 I HN 0.169 nan 8.210 nan 0.000 0.457 556 T N -1.333 113.231 114.554 0.016 0.000 3.060 556 T HA 0.536 4.888 4.350 0.002 0.000 0.249 556 T C 0.850 175.555 174.700 0.009 0.000 1.079 556 T CA 0.313 62.419 62.100 0.011 0.000 1.013 556 T CB 0.444 69.318 68.868 0.011 0.000 0.975 556 T HN 0.541 nan 8.240 nan 0.000 0.518 557 G N 0.000 108.806 108.800 0.010 0.000 5.446 557 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 557 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 557 G CA 0.000 45.104 45.100 0.007 0.000 0.502 557 G HN 0.000 nan 8.290 nan 0.000 0.925