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 3l0q_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASYFIGVDVG TGSARAGVFD LQGRXVGQAS REITXFKPKA DFVEQSSENI DATA SEQUENCE WQAVCNAVRD AVNQADINPI QVKGLGFDAT CSLVVLDKEG NPLTVSPSGR DATA SEQUENCE NEQNVIVWXD HRAITQAERI NATKHPVLEF VGGVISPEXQ TPKLLWLKQH DATA SEQUENCE XPNTWSNVGH LFDLPDFLTW RATKDETRSL CSTVCKWTYL GHEDRWDPSY DATA SEQUENCE FKLVGLADLL DNNAAKIGAT VKPXGAPLGH GLSQRAASEX GLIPGTAVSV DATA SEQUENCE SIIDAHAGTI GILGASGVTG ENANFDRRIA LIGGTSTAHX AXSRSAHFIS DATA SEQUENCE GIWGPYYSAI LPEYWLNEGG QSATGALIDH IIQSHPCYPA LLEQAKNKGE DATA SEQUENCE TIYEALNYIL RQXAGEPENI AFLTNDIHXL PYFHGNRSPR ANPNLTGIIT DATA SEQUENCE GLKLSTTPED XALRYLATIQ ALALGTRHII ETXNQNGYNI DTXXASGGGT DATA SEQUENCE KNPIFVQEHA NATGCAXLLP EESEAXLLGS AXXGTVAAGV FESLPEAXAA DATA SEQUENCE XSRIGKTVTP QTNKIKAYYD RKYRVFHQXY HDHXRYQALX Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.452 177.584 -0.221 0.000 1.274 2 A CA 0.000 51.958 52.037 -0.132 0.000 0.836 2 A CB 0.000 18.920 19.000 -0.134 0.000 0.831 3 S N 0.165 115.640 115.700 -0.375 0.000 2.549 3 S HA 0.863 5.334 4.470 0.002 0.000 0.297 3 S C -1.242 172.917 174.600 -0.736 0.000 1.115 3 S CA -0.140 57.818 58.200 -0.402 0.000 1.059 3 S CB 0.706 63.760 63.200 -0.244 0.000 1.046 3 S HN 0.497 nan 8.310 nan 0.000 0.506 4 Y N 0.426 120.439 120.300 -0.478 0.000 2.605 4 Y HA 0.687 5.238 4.550 0.002 0.000 0.343 4 Y C -0.895 174.550 175.900 -0.758 0.000 1.036 4 Y CA -1.049 56.835 58.100 -0.361 0.000 1.065 4 Y CB 1.333 39.711 38.460 -0.137 0.000 1.288 4 Y HN 0.559 nan 8.280 nan 0.000 0.481 5 F N 1.486 121.593 119.950 0.260 0.000 2.569 5 F HA 0.607 5.135 4.527 0.002 0.000 0.312 5 F C -0.767 175.156 175.800 0.205 0.000 1.109 5 F CA -0.824 57.279 58.000 0.173 0.000 0.919 5 F CB 1.587 40.667 39.000 0.133 0.000 1.211 5 F HN 0.118 nan 8.300 nan 0.000 0.446 6 I N 1.856 122.573 120.570 0.245 0.000 2.377 6 I HA 0.590 4.761 4.170 0.002 0.000 0.293 6 I C 0.232 176.395 176.117 0.076 0.000 0.987 6 I CA -0.582 60.805 61.300 0.144 0.000 1.185 6 I CB 1.768 39.764 38.000 -0.007 0.000 1.341 6 I HN 0.746 nan 8.210 nan 0.000 0.455 7 G N 5.423 114.308 108.800 0.141 0.000 2.372 7 G HA2 0.598 4.559 3.960 0.002 0.000 0.323 7 G HA3 0.598 4.559 3.960 0.002 0.000 0.323 7 G C -1.043 173.834 174.900 -0.040 0.000 1.152 7 G CA -0.316 44.799 45.100 0.024 0.000 0.906 7 G HN 0.333 nan 8.290 nan 0.000 0.460 8 V N 2.200 122.013 119.914 -0.168 0.000 2.448 8 V HA 0.432 4.553 4.120 0.002 0.000 0.295 8 V C -0.944 175.163 176.094 0.022 0.000 1.025 8 V CA -0.609 61.630 62.300 -0.102 0.000 0.859 8 V CB 1.844 33.539 31.823 -0.214 0.000 0.988 8 V HN 0.864 nan 8.190 nan 0.000 0.431 9 D N 3.932 124.368 120.400 0.059 0.000 2.505 9 D HA 0.446 5.087 4.640 0.002 0.000 0.250 9 D C -1.033 175.327 176.300 0.100 0.000 1.164 9 D CA -0.273 53.776 54.000 0.082 0.000 0.870 9 D CB 1.977 42.812 40.800 0.058 0.000 1.160 9 D HN 0.245 nan 8.370 nan 0.000 0.549 10 V N 4.429 124.425 119.914 0.135 0.000 2.318 10 V HA 0.697 4.818 4.120 0.002 0.000 0.271 10 V C 1.203 177.374 176.094 0.129 0.000 1.030 10 V CA -0.205 62.181 62.300 0.144 0.000 0.844 10 V CB 0.867 32.809 31.823 0.197 0.000 1.015 10 V HN 0.670 nan 8.190 nan 0.000 0.460 11 G N 3.206 112.072 108.800 0.109 0.000 2.606 11 G HA2 0.324 4.286 3.960 0.002 0.000 0.262 11 G HA3 0.324 4.286 3.960 0.002 0.000 0.262 11 G C 0.974 175.970 174.900 0.160 0.000 1.394 11 G CA 0.315 45.478 45.100 0.105 0.000 1.044 11 G HN 0.496 nan 8.290 nan 0.000 0.553 12 T N -0.223 114.449 114.554 0.197 0.000 2.812 12 T HA 0.009 4.360 4.350 0.002 0.000 0.264 12 T C 2.202 176.993 174.700 0.152 0.000 1.042 12 T CA 1.705 63.962 62.100 0.263 0.000 1.140 12 T CB -0.232 68.851 68.868 0.357 0.000 0.870 12 T HN 0.545 nan 8.240 nan 0.000 0.445 13 G N -0.071 108.796 108.800 0.111 0.000 2.709 13 G HA2 0.346 4.307 3.960 0.002 0.000 0.208 13 G HA3 0.346 4.307 3.960 0.002 0.000 0.208 13 G C 0.357 175.292 174.900 0.057 0.000 1.129 13 G CA -0.115 45.026 45.100 0.069 0.000 0.793 13 G HN 0.430 nan 8.290 nan 0.000 0.524 14 S N -1.143 114.597 115.700 0.066 0.000 2.556 14 S HA 0.685 5.157 4.470 0.002 0.000 0.271 14 S C -0.750 173.890 174.600 0.067 0.000 1.135 14 S CA -0.385 57.848 58.200 0.054 0.000 0.858 14 S CB 1.985 65.208 63.200 0.038 0.000 1.114 14 S HN 0.543 nan 8.310 nan 0.000 0.468 15 A N 2.048 124.904 122.820 0.060 0.000 2.274 15 A HA 0.763 5.084 4.320 0.002 0.000 0.309 15 A C -0.104 177.501 177.584 0.036 0.000 1.226 15 A CA -0.499 51.577 52.037 0.064 0.000 0.853 15 A CB 0.350 19.390 19.000 0.066 0.000 1.146 15 A HN 0.726 nan 8.150 nan 0.000 0.518 16 R N 0.722 121.244 120.500 0.037 0.000 2.778 16 R HA 0.771 5.112 4.340 0.002 0.000 0.277 16 R C -0.654 175.651 176.300 0.009 0.000 0.977 16 R CA -0.485 55.625 56.100 0.017 0.000 0.950 16 R CB 2.405 32.719 30.300 0.024 0.000 1.165 16 R HN 0.832 nan 8.270 nan 0.000 0.474 17 A N 0.583 123.395 122.820 -0.014 0.000 2.449 17 A HA 0.803 5.125 4.320 0.002 0.000 0.302 17 A C -0.883 176.680 177.584 -0.035 0.000 1.048 17 A CA -0.708 51.313 52.037 -0.027 0.000 0.708 17 A CB 2.053 21.017 19.000 -0.060 0.000 1.274 17 A HN 0.753 nan 8.150 nan 0.000 0.410 18 G N -0.063 108.737 108.800 -0.000 0.000 2.591 18 G HA2 0.579 4.540 3.960 0.002 0.000 0.306 18 G HA3 0.579 4.540 3.960 0.002 0.000 0.306 18 G C -1.409 173.401 174.900 -0.149 0.000 1.334 18 G CA -0.491 44.533 45.100 -0.127 0.000 0.981 18 G HN 0.937 nan 8.290 nan 0.000 0.491 19 V N 1.676 121.379 119.914 -0.350 0.000 2.384 19 V HA 0.573 4.695 4.120 0.002 0.000 0.287 19 V C -0.894 175.011 176.094 -0.315 0.000 1.020 19 V CA -0.527 61.670 62.300 -0.172 0.000 0.850 19 V CB 0.752 32.464 31.823 -0.186 0.000 0.987 19 V HN 0.564 nan 8.190 nan 0.000 0.436 20 F N 2.791 122.853 119.950 0.187 0.000 2.508 20 F HA 0.545 5.073 4.527 0.002 0.000 0.325 20 F C 0.417 176.444 175.800 0.378 0.000 1.090 20 F CA -0.965 57.173 58.000 0.231 0.000 0.945 20 F CB 1.634 40.737 39.000 0.172 0.000 1.156 20 F HN 0.661 nan 8.300 nan 0.000 0.463 21 D N 1.118 121.804 120.400 0.478 0.000 2.433 21 D HA 0.084 4.725 4.640 0.002 0.000 0.255 21 D C 0.905 177.367 176.300 0.270 0.000 1.226 21 D CA -0.485 53.678 54.000 0.270 0.000 1.015 21 D CB 0.524 41.417 40.800 0.155 0.000 1.091 21 D HN 0.428 nan 8.370 nan 0.000 0.527 22 L N -0.945 120.375 121.223 0.160 0.000 2.456 22 L HA -0.049 4.292 4.340 0.002 0.000 0.224 22 L C 1.529 178.488 176.870 0.148 0.000 1.148 22 L CA 1.643 56.586 54.840 0.171 0.000 0.825 22 L CB -0.645 41.475 42.059 0.102 0.000 0.937 22 L HN 0.351 nan 8.230 nan 0.000 0.450 23 Q N -0.541 119.334 119.800 0.126 0.000 2.319 23 Q HA 0.376 4.717 4.340 0.002 0.000 0.202 23 Q C 1.318 177.374 176.000 0.094 0.000 0.896 23 Q CA 0.618 56.480 55.803 0.099 0.000 0.942 23 Q CB 0.489 29.274 28.738 0.079 0.000 1.083 23 Q HN 0.409 nan 8.270 nan 0.000 0.510 24 G N 0.519 109.406 108.800 0.145 0.000 2.132 24 G HA2 -0.293 3.669 3.960 0.002 0.000 0.234 24 G HA3 -0.293 3.669 3.960 0.002 0.000 0.234 24 G C 0.078 175.165 174.900 0.311 0.000 0.989 24 G CA -0.008 45.186 45.100 0.158 0.000 0.676 24 G HN 0.222 nan 8.290 nan 0.000 0.522 28 G N 0.814 109.470 108.800 -0.240 0.000 2.702 28 G HA2 0.672 4.633 3.960 0.002 0.000 0.296 28 G HA3 0.672 4.633 3.960 0.002 0.000 0.296 28 G C -1.615 173.157 174.900 -0.213 0.000 1.463 28 G CA 0.160 45.141 45.100 -0.198 0.000 0.890 28 G HN 1.057 nan 8.290 nan 0.000 0.534 29 Q N -0.453 119.256 119.800 -0.153 0.000 2.522 29 Q HA 0.837 5.178 4.340 0.002 0.000 0.285 29 Q C -1.126 174.822 176.000 -0.087 0.000 0.982 29 Q CA -1.035 54.692 55.803 -0.127 0.000 0.805 29 Q CB 2.140 30.805 28.738 -0.123 0.000 1.457 29 Q HN 1.836 nan 8.270 nan 0.000 0.394 30 A N 0.693 123.473 122.820 -0.068 0.000 2.602 30 A HA 0.897 5.218 4.320 0.002 0.000 0.290 30 A C -1.407 176.157 177.584 -0.034 0.000 1.114 30 A CA -0.252 51.755 52.037 -0.051 0.000 0.683 30 A CB 2.071 21.038 19.000 -0.055 0.000 1.281 30 A HN 0.678 nan 8.150 nan 0.000 0.416 31 S N -0.497 115.188 115.700 -0.024 0.000 2.564 31 S HA 0.832 5.303 4.470 0.002 0.000 0.274 31 S C -1.612 172.983 174.600 -0.009 0.000 1.124 31 S CA -0.682 57.512 58.200 -0.011 0.000 0.869 31 S CB 1.238 64.436 63.200 -0.003 0.000 1.105 31 S HN 0.678 nan 8.310 nan 0.000 0.472 32 R N 2.354 122.855 120.500 0.001 0.000 2.533 32 R HA 0.341 4.682 4.340 0.002 0.000 0.288 32 R C -1.330 174.979 176.300 0.016 0.000 1.039 32 R CA -0.728 55.374 56.100 0.003 0.000 0.909 32 R CB 1.396 31.694 30.300 -0.003 0.000 1.195 32 R HN 0.691 nan 8.270 nan 0.000 0.438 33 E N 2.559 122.767 120.200 0.013 0.000 2.442 33 E HA 0.086 4.437 4.350 0.002 0.000 0.262 33 E C 0.439 177.051 176.600 0.021 0.000 1.004 33 E CA 0.337 56.746 56.400 0.016 0.000 0.928 33 E CB 0.397 30.100 29.700 0.005 0.000 0.937 33 E HN 0.450 nan 8.360 nan 0.000 0.446 34 I N -1.485 119.100 120.570 0.026 0.000 2.530 34 I HA 0.489 4.660 4.170 0.002 0.000 0.297 34 I C 0.005 176.111 176.117 -0.019 0.000 1.011 34 I CA -0.950 60.369 61.300 0.031 0.000 1.107 34 I CB 1.991 40.035 38.000 0.073 0.000 1.285 34 I HN 0.188 nan 8.210 nan 0.000 0.436 38 K N 3.413 123.921 120.400 0.181 0.000 2.624 38 K HA 0.317 4.638 4.320 0.002 0.000 0.200 38 K C -2.135 174.525 176.600 0.100 0.000 1.036 38 K CA -1.492 54.869 56.287 0.123 0.000 1.029 38 K CB 1.467 34.007 32.500 0.066 0.000 1.317 38 K HN 0.183 nan 8.250 nan 0.000 0.555 39 P HA -0.216 nan 4.420 nan 0.000 0.218 39 P C -0.535 176.726 177.300 -0.066 0.000 1.146 39 P CA 1.376 64.480 63.100 0.006 0.000 0.813 39 P CB 0.138 31.809 31.700 -0.048 0.000 0.778 40 K N -4.374 115.990 120.400 -0.059 0.000 2.931 40 K HA 0.580 4.901 4.320 0.002 0.000 0.292 40 K C -1.324 175.292 176.600 0.028 0.000 1.077 40 K CA -0.984 55.260 56.287 -0.072 0.000 0.829 40 K CB 0.207 32.579 32.500 -0.214 0.000 1.488 40 K HN -0.151 nan 8.250 nan 0.000 0.358 41 A N 1.387 124.235 122.820 0.048 0.000 2.584 41 A HA 0.135 4.456 4.320 0.002 0.000 0.239 41 A C 0.136 177.844 177.584 0.207 0.000 1.043 41 A CA 1.485 53.582 52.037 0.100 0.000 0.756 41 A CB -0.738 18.308 19.000 0.076 0.000 0.963 41 A HN 0.865 nan 8.150 nan 0.000 0.511 42 D N -0.921 119.572 120.400 0.155 0.000 2.603 42 D HA -0.171 4.470 4.640 0.002 0.000 0.180 42 D C -0.342 176.001 176.300 0.072 0.000 0.972 42 D CA 1.962 56.030 54.000 0.114 0.000 1.022 42 D CB -1.597 39.285 40.800 0.136 0.000 1.079 42 D HN 0.555 nan 8.370 nan 0.000 0.455 43 F N 0.446 120.342 119.950 -0.090 0.000 2.420 43 F HA 0.552 5.080 4.527 0.002 0.000 0.342 43 F C 0.383 176.128 175.800 -0.090 0.000 1.113 43 F CA -0.758 57.166 58.000 -0.127 0.000 1.059 43 F CB 1.777 40.713 39.000 -0.107 0.000 1.128 43 F HN -0.357 nan 8.300 nan 0.000 0.475 44 V N 3.306 123.220 119.914 -0.001 0.000 2.612 44 V HA 0.377 4.498 4.120 0.002 0.000 0.301 44 V C -0.760 175.340 176.094 0.009 0.000 1.059 44 V CA -0.859 61.435 62.300 -0.010 0.000 0.886 44 V CB 1.827 33.572 31.823 -0.130 0.000 1.007 44 V HN 0.735 nan 8.190 nan 0.000 0.426 45 E N 2.996 123.268 120.200 0.119 0.000 2.369 45 E HA 0.741 5.092 4.350 0.002 0.000 0.270 45 E C -1.216 175.573 176.600 0.315 0.000 0.909 45 E CA -0.847 55.655 56.400 0.169 0.000 0.775 45 E CB 3.098 32.893 29.700 0.159 0.000 1.270 45 E HN 0.678 nan 8.360 nan 0.000 0.445 46 Q N 0.122 120.084 119.800 0.270 0.000 2.668 46 Q HA 0.545 4.886 4.340 0.002 0.000 0.298 46 Q C -1.296 174.870 176.000 0.276 0.000 1.071 46 Q CA -0.923 55.072 55.803 0.319 0.000 0.789 46 Q CB 2.463 31.311 28.738 0.183 0.000 1.497 46 Q HN 0.363 nan 8.270 nan 0.000 0.460 47 S N -0.419 115.454 115.700 0.289 0.000 2.498 47 S HA 0.218 4.690 4.470 0.002 0.000 0.317 47 S C 0.633 175.303 174.600 0.115 0.000 1.090 47 S CA -0.166 58.145 58.200 0.185 0.000 1.089 47 S CB 1.014 64.372 63.200 0.263 0.000 0.997 47 S HN 0.711 nan 8.310 nan 0.000 0.470 48 S N 3.829 119.527 115.700 -0.002 0.000 2.383 48 S HA -0.129 4.343 4.470 0.002 0.000 0.227 48 S C 1.579 176.285 174.600 0.176 0.000 1.026 48 S CA 1.273 59.404 58.200 -0.115 0.000 0.981 48 S CB -0.599 62.193 63.200 -0.681 0.000 0.818 48 S HN 0.768 nan 8.310 nan 0.000 0.472 49 E N 2.863 123.174 120.200 0.186 0.000 2.077 49 E HA -0.157 4.194 4.350 0.002 0.000 0.193 49 E C 2.022 178.788 176.600 0.278 0.000 0.989 49 E CA 1.517 58.079 56.400 0.269 0.000 0.800 49 E CB -0.739 29.077 29.700 0.195 0.000 0.746 49 E HN 0.670 nan 8.360 nan 0.000 0.452 50 N N 0.178 119.008 118.700 0.217 0.000 2.120 50 N HA -0.162 4.579 4.740 0.002 0.000 0.188 50 N C 2.005 177.633 175.510 0.196 0.000 1.024 50 N CA 1.557 54.721 53.050 0.189 0.000 0.852 50 N CB -0.134 38.461 38.487 0.179 0.000 1.003 50 N HN 0.271 nan 8.380 nan 0.000 0.424 51 I N -0.043 120.668 120.570 0.236 0.000 2.179 51 I HA -0.237 3.934 4.170 0.002 0.000 0.242 51 I C 2.376 178.683 176.117 0.318 0.000 1.088 51 I CA 0.901 62.355 61.300 0.256 0.000 1.357 51 I CB -0.442 37.726 38.000 0.281 0.000 1.051 51 I HN 0.375 nan 8.210 nan 0.000 0.409 52 W N 1.815 123.252 121.300 0.228 0.000 2.363 52 W HA -0.217 4.445 4.660 0.002 0.000 0.296 52 W C 2.393 178.985 176.519 0.122 0.000 1.212 52 W CA 1.199 58.659 57.345 0.192 0.000 1.260 52 W CB -0.055 29.534 29.460 0.214 0.000 1.131 52 W HN 0.220 nan 8.180 nan 0.000 0.530 53 Q N 0.432 120.312 119.800 0.132 0.000 2.084 53 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 53 Q C 2.449 178.405 176.000 -0.073 0.000 0.978 53 Q CA 1.900 57.697 55.803 -0.009 0.000 0.844 53 Q CB -1.129 27.658 28.738 0.083 0.000 0.898 53 Q HN 0.363 nan 8.270 nan 0.000 0.426 54 A N 0.443 123.259 122.820 -0.007 0.000 1.883 54 A HA -0.143 4.178 4.320 0.002 0.000 0.217 54 A C 2.482 180.024 177.584 -0.069 0.000 1.186 54 A CA 1.637 53.665 52.037 -0.015 0.000 0.624 54 A CB -0.812 18.209 19.000 0.035 0.000 0.822 54 A HN 0.204 nan 8.150 nan 0.000 0.444 55 V N -0.648 119.204 119.914 -0.103 0.000 2.255 55 V HA -0.372 3.749 4.120 0.002 0.000 0.247 55 V C 2.719 178.650 176.094 -0.271 0.000 1.051 55 V CA 2.275 64.479 62.300 -0.160 0.000 1.018 55 V CB -1.101 30.612 31.823 -0.183 0.000 0.641 55 V HN 0.731 nan 8.190 nan 0.000 0.445 56 C N 0.032 119.055 119.300 -0.461 0.000 2.432 56 C HA -0.168 4.293 4.460 0.002 0.000 0.277 56 C C 2.558 177.429 174.990 -0.199 0.000 1.249 56 C CA 1.578 60.361 59.018 -0.391 0.000 1.725 56 C CB -1.731 25.731 27.740 -0.463 0.000 2.028 56 C HN 0.683 nan 8.230 nan 0.000 0.477 57 N N 1.006 119.616 118.700 -0.150 0.000 2.142 57 N HA -0.076 4.665 4.740 0.002 0.000 0.186 57 N C 1.896 177.358 175.510 -0.080 0.000 1.023 57 N CA 1.226 54.221 53.050 -0.091 0.000 0.852 57 N CB -0.231 38.219 38.487 -0.061 0.000 0.998 57 N HN 0.515 nan 8.380 nan 0.000 0.424 58 A N 0.729 123.501 122.820 -0.081 0.000 1.908 58 A HA -0.120 4.202 4.320 0.002 0.000 0.218 58 A C 2.377 179.914 177.584 -0.078 0.000 1.181 58 A CA 1.256 53.254 52.037 -0.066 0.000 0.627 58 A CB -0.826 18.144 19.000 -0.050 0.000 0.818 58 A HN 0.114 nan 8.150 nan 0.000 0.445 59 V N -0.150 119.706 119.914 -0.097 0.000 2.307 59 V HA -0.249 3.872 4.120 0.002 0.000 0.245 59 V C 2.645 178.686 176.094 -0.088 0.000 1.045 59 V CA 2.177 64.420 62.300 -0.096 0.000 1.024 59 V CB -0.760 30.999 31.823 -0.106 0.000 0.651 59 V HN 0.526 nan 8.190 nan 0.000 0.449 60 R N -0.254 120.194 120.500 -0.086 0.000 2.091 60 R HA -0.207 4.134 4.340 0.002 0.000 0.238 60 R C 2.167 178.424 176.300 -0.071 0.000 1.136 60 R CA 1.859 57.915 56.100 -0.073 0.000 0.959 60 R CB -0.479 29.782 30.300 -0.066 0.000 0.856 60 R HN 0.517 nan 8.270 nan 0.000 0.437 61 D N 0.186 120.545 120.400 -0.069 0.000 2.123 61 D HA -0.054 4.587 4.640 0.002 0.000 0.200 61 D C 1.735 177.988 176.300 -0.078 0.000 0.976 61 D CA 1.353 55.313 54.000 -0.066 0.000 0.831 61 D CB 0.007 40.772 40.800 -0.057 0.000 0.974 61 D HN 0.179 nan 8.370 nan 0.000 0.469 62 A N 0.299 123.068 122.820 -0.086 0.000 1.902 62 A HA -0.115 4.206 4.320 0.002 0.000 0.217 62 A C 2.623 180.134 177.584 -0.122 0.000 1.181 62 A CA 1.583 53.558 52.037 -0.104 0.000 0.623 62 A CB -0.824 18.114 19.000 -0.105 0.000 0.818 62 A HN 0.199 nan 8.150 nan 0.000 0.443 63 V N 0.797 120.642 119.914 -0.114 0.000 2.343 63 V HA -0.278 3.843 4.120 0.002 0.000 0.247 63 V C 2.439 178.459 176.094 -0.124 0.000 1.051 63 V CA 2.390 64.613 62.300 -0.128 0.000 1.036 63 V CB -1.118 30.642 31.823 -0.105 0.000 0.654 63 V HN 0.805 nan 8.190 nan 0.000 0.451 64 N N 0.324 118.965 118.700 -0.098 0.000 2.120 64 N HA -0.274 4.467 4.740 0.002 0.000 0.188 64 N C 1.950 177.405 175.510 -0.093 0.000 1.024 64 N CA 2.089 55.087 53.050 -0.086 0.000 0.852 64 N CB -0.259 38.187 38.487 -0.068 0.000 1.003 64 N HN 0.626 nan 8.380 nan 0.000 0.424 65 Q N -0.327 119.415 119.800 -0.097 0.000 2.124 65 Q HA -0.076 4.266 4.340 0.002 0.000 0.202 65 Q C 1.879 177.806 176.000 -0.121 0.000 0.977 65 Q CA 1.757 57.502 55.803 -0.098 0.000 0.850 65 Q CB -0.360 28.321 28.738 -0.095 0.000 0.901 65 Q HN 0.443 nan 8.270 nan 0.000 0.429 66 A N 0.839 123.563 122.820 -0.159 0.000 2.019 66 A HA -0.168 4.154 4.320 0.002 0.000 0.219 66 A C 0.831 178.293 177.584 -0.204 0.000 1.164 66 A CA 1.273 53.181 52.037 -0.214 0.000 0.644 66 A CB -0.503 18.314 19.000 -0.305 0.000 0.805 66 A HN 0.699 nan 8.150 nan 0.000 0.449 67 D N -1.389 118.914 120.400 -0.162 0.000 2.699 67 D HA -0.149 4.492 4.640 0.002 0.000 0.239 67 D C 0.002 176.211 176.300 -0.151 0.000 1.136 67 D CA 1.196 55.118 54.000 -0.129 0.000 0.668 67 D CB -1.783 38.959 40.800 -0.096 0.000 1.060 67 D HN 0.825 nan 8.370 nan 0.000 0.429 68 I N -3.802 116.649 120.570 -0.198 0.000 3.023 68 I HA 0.544 4.716 4.170 0.002 0.000 0.312 68 I C 0.242 176.284 176.117 -0.125 0.000 1.056 68 I CA -1.123 60.058 61.300 -0.199 0.000 1.033 68 I CB 1.645 39.403 38.000 -0.404 0.000 1.233 68 I HN -0.106 nan 8.210 nan 0.000 0.462 69 N N 2.312 120.965 118.700 -0.077 0.000 2.479 69 N HA 0.352 5.093 4.740 0.002 0.000 0.285 69 N C -2.027 173.452 175.510 -0.051 0.000 1.075 69 N CA -1.871 51.147 53.050 -0.053 0.000 0.967 69 N CB 1.898 40.369 38.487 -0.027 0.000 1.137 69 N HN 0.399 nan 8.380 nan 0.000 0.472 70 P HA -0.119 nan 4.420 nan 0.000 0.217 70 P C 1.429 178.708 177.300 -0.035 0.000 1.148 70 P CA 0.641 63.713 63.100 -0.046 0.000 0.828 70 P CB 0.258 31.936 31.700 -0.038 0.000 0.783 71 I N -0.403 120.151 120.570 -0.027 0.000 2.700 71 I HA -0.210 3.961 4.170 0.002 0.000 0.261 71 I C 1.882 177.984 176.117 -0.026 0.000 1.219 71 I CA 1.543 62.830 61.300 -0.023 0.000 1.463 71 I CB -0.778 37.212 38.000 -0.017 0.000 1.092 71 I HN -0.014 nan 8.210 nan 0.000 0.452 72 Q N -0.811 118.982 119.800 -0.013 0.000 2.378 72 Q HA 0.072 4.413 4.340 0.002 0.000 0.205 72 Q C 0.434 176.414 176.000 -0.034 0.000 0.954 72 Q CA 0.232 56.045 55.803 0.016 0.000 0.901 72 Q CB 0.288 29.104 28.738 0.130 0.000 0.981 72 Q HN 0.247 nan 8.270 nan 0.000 0.483 73 V N 2.309 122.186 119.914 -0.062 0.000 2.427 73 V HA 0.014 4.135 4.120 0.002 0.000 0.268 73 V C 0.644 176.636 176.094 -0.169 0.000 1.046 73 V CA 0.254 62.479 62.300 -0.126 0.000 0.970 73 V CB 1.074 32.854 31.823 -0.071 0.000 1.001 73 V HN 0.142 nan 8.190 nan 0.000 0.476 74 K N 3.279 123.470 120.400 -0.348 0.000 2.348 74 K HA 0.330 4.651 4.320 0.002 0.000 0.194 74 K C 0.705 177.300 176.600 -0.009 0.000 1.052 74 K CA 0.517 56.678 56.287 -0.211 0.000 1.004 74 K CB 1.084 33.411 32.500 -0.289 0.000 0.873 74 K HN 0.743 nan 8.250 nan 0.000 0.523 75 G N 0.676 109.504 108.800 0.047 0.000 2.742 75 G HA2 0.583 4.544 3.960 0.002 0.000 0.296 75 G HA3 0.583 4.544 3.960 0.002 0.000 0.296 75 G C -1.784 173.231 174.900 0.190 0.000 1.436 75 G CA -0.580 44.664 45.100 0.240 0.000 0.928 75 G HN -0.049 nan 8.290 nan 0.000 0.520 76 L N 0.443 121.734 121.223 0.113 0.000 2.370 76 L HA 0.870 5.211 4.340 0.002 0.000 0.266 76 L C 0.603 177.460 176.870 -0.022 0.000 1.002 76 L CA -0.446 54.388 54.840 -0.010 0.000 0.818 76 L CB 2.617 44.618 42.059 -0.097 0.000 1.325 76 L HN 0.807 nan 8.230 nan 0.000 0.418 77 G N 0.842 109.557 108.800 -0.142 0.000 2.542 77 G HA2 0.723 4.684 3.960 0.002 0.000 0.311 77 G HA3 0.723 4.684 3.960 0.002 0.000 0.311 77 G C -1.653 173.091 174.900 -0.261 0.000 1.298 77 G CA -0.297 44.752 45.100 -0.086 0.000 0.973 77 G HN 0.221 nan 8.290 nan 0.000 0.487 78 F N 0.743 120.721 119.950 0.048 0.000 2.482 78 F HA 0.489 5.017 4.527 0.002 0.000 0.331 78 F C -0.008 175.822 175.800 0.050 0.000 1.115 78 F CA -0.601 57.435 58.000 0.059 0.000 0.955 78 F CB 2.682 41.726 39.000 0.073 0.000 1.136 78 F HN 0.626 nan 8.300 nan 0.000 0.452 79 D N 1.565 122.093 120.400 0.215 0.000 2.601 79 D HA 0.837 5.479 4.640 0.002 0.000 0.230 79 D C -1.339 175.061 176.300 0.167 0.000 1.106 79 D CA -0.654 53.438 54.000 0.153 0.000 0.873 79 D CB 2.112 42.965 40.800 0.088 0.000 1.515 79 D HN 0.748 nan 8.370 nan 0.000 0.468 80 A N 0.542 123.449 122.820 0.144 0.000 2.599 80 A HA 0.745 5.066 4.320 0.002 0.000 0.290 80 A C -0.077 177.575 177.584 0.114 0.000 1.101 80 A CA -0.464 51.663 52.037 0.151 0.000 0.674 80 A CB 0.781 19.903 19.000 0.204 0.000 1.277 80 A HN 0.971 nan 8.150 nan 0.000 0.419 81 T N -1.497 113.123 114.554 0.110 0.000 2.855 81 T HA 0.264 4.615 4.350 0.002 0.000 0.322 81 T C 0.821 175.606 174.700 0.141 0.000 1.088 81 T CA 0.337 62.472 62.100 0.057 0.000 1.104 81 T CB -0.291 68.658 68.868 0.134 0.000 0.996 81 T HN 1.746 nan 8.240 nan 0.000 0.549 82 C N 1.743 121.119 119.300 0.126 0.000 3.305 82 C HA 0.530 4.991 4.460 0.002 0.000 0.566 82 C C 0.744 175.889 174.990 0.258 0.000 1.178 82 C CA -1.238 57.893 59.018 0.187 0.000 1.317 82 C CB -2.470 25.352 27.740 0.137 0.000 1.634 82 C HN 0.724 nan 8.230 nan 0.000 0.643 83 S N 0.727 116.590 115.700 0.273 0.000 2.672 83 S HA 0.682 5.154 4.470 0.002 0.000 0.276 83 S C -0.453 174.273 174.600 0.211 0.000 1.207 83 S CA -0.431 57.918 58.200 0.247 0.000 1.002 83 S CB 1.273 64.623 63.200 0.251 0.000 0.998 83 S HN 0.685 nan 8.310 nan 0.000 0.542 84 L N 2.605 123.922 121.223 0.155 0.000 2.287 84 L HA 0.593 4.934 4.340 0.002 0.000 0.287 84 L C -1.188 175.764 176.870 0.138 0.000 1.022 84 L CA -0.297 54.645 54.840 0.170 0.000 0.814 84 L CB 1.066 43.179 42.059 0.089 0.000 1.217 84 L HN 0.387 nan 8.230 nan 0.000 0.420 85 V N 6.029 126.045 119.914 0.170 0.000 2.394 85 V HA 0.501 4.623 4.120 0.002 0.000 0.282 85 V C -0.319 175.838 176.094 0.105 0.000 1.031 85 V CA -0.619 61.716 62.300 0.058 0.000 0.881 85 V CB 1.706 33.496 31.823 -0.054 0.000 0.982 85 V HN 0.521 nan 8.190 nan 0.000 0.451 86 V N 6.958 126.904 119.914 0.053 0.000 2.448 86 V HA 0.554 4.676 4.120 0.002 0.000 0.295 86 V C -0.240 175.880 176.094 0.043 0.000 1.025 86 V CA -0.395 61.940 62.300 0.058 0.000 0.859 86 V CB 1.575 33.441 31.823 0.072 0.000 0.988 86 V HN 0.643 nan 8.190 nan 0.000 0.431 87 L N 3.758 125.009 121.223 0.047 0.000 2.354 87 L HA 0.653 4.994 4.340 0.002 0.000 0.264 87 L C -0.231 176.657 176.870 0.031 0.000 1.008 87 L CA -0.938 53.948 54.840 0.076 0.000 0.819 87 L CB 2.229 44.382 42.059 0.157 0.000 1.339 87 L HN 0.721 nan 8.230 nan 0.000 0.420 88 D N 0.411 120.838 120.400 0.046 0.000 2.440 88 D HA 0.113 4.754 4.640 0.002 0.000 0.269 88 D C 0.547 176.840 176.300 -0.013 0.000 1.249 88 D CA -0.409 53.590 54.000 -0.003 0.000 1.055 88 D CB 0.603 41.411 40.800 0.013 0.000 1.104 88 D HN 0.271 nan 8.370 nan 0.000 0.561 89 K N -0.598 119.774 120.400 -0.046 0.000 2.360 89 K HA -0.092 4.230 4.320 0.002 0.000 0.201 89 K C 1.199 177.814 176.600 0.025 0.000 1.046 89 K CA 0.896 57.143 56.287 -0.067 0.000 0.945 89 K CB -0.041 32.417 32.500 -0.070 0.000 0.750 89 K HN 0.553 nan 8.250 nan 0.000 0.464 90 E N -0.304 119.940 120.200 0.074 0.000 2.474 90 E HA 0.046 4.397 4.350 0.002 0.000 0.195 90 E C 0.559 177.283 176.600 0.207 0.000 1.039 90 E CA 0.191 56.663 56.400 0.120 0.000 0.881 90 E CB 0.428 30.180 29.700 0.086 0.000 0.970 90 E HN 0.430 nan 8.360 nan 0.000 0.486 91 G N 2.129 111.087 108.800 0.264 0.000 2.136 91 G HA2 -0.204 3.758 3.960 0.002 0.000 0.242 91 G HA3 -0.204 3.758 3.960 0.002 0.000 0.242 91 G C -0.101 174.979 174.900 0.301 0.000 0.989 91 G CA -0.158 45.161 45.100 0.366 0.000 0.682 91 G HN 0.127 nan 8.290 nan 0.000 0.522 92 N N 0.813 119.630 118.700 0.194 0.000 2.492 92 N HA 0.510 5.252 4.740 0.002 0.000 0.289 92 N C -2.695 172.887 175.510 0.120 0.000 1.133 92 N CA -1.715 51.428 53.050 0.154 0.000 0.961 92 N CB 1.181 39.733 38.487 0.110 0.000 1.186 92 N HN -0.058 nan 8.380 nan 0.000 0.493 93 P HA -0.058 nan 4.420 nan 0.000 0.261 93 P C -0.541 176.788 177.300 0.049 0.000 1.173 93 P CA 0.174 63.311 63.100 0.061 0.000 0.760 93 P CB 0.367 32.097 31.700 0.051 0.000 0.783 94 L N 3.917 125.164 121.223 0.040 0.000 2.356 94 L HA 0.456 4.797 4.340 0.002 0.000 0.277 94 L C 0.013 176.909 176.870 0.044 0.000 0.996 94 L CA -0.360 54.504 54.840 0.039 0.000 0.822 94 L CB 1.775 43.855 42.059 0.034 0.000 1.256 94 L HN 0.192 nan 8.230 nan 0.000 0.413 95 T N 3.102 117.683 114.554 0.045 0.000 2.940 95 T HA 0.250 4.602 4.350 0.002 0.000 0.309 95 T C 0.891 175.646 174.700 0.092 0.000 1.056 95 T CA 0.440 62.568 62.100 0.047 0.000 1.137 95 T CB 0.302 69.193 68.868 0.039 0.000 0.976 95 T HN 0.772 nan 8.240 nan 0.000 0.547 96 V N 2.187 122.157 119.914 0.094 0.000 3.176 96 V HA 0.497 4.618 4.120 0.002 0.000 0.332 96 V C 0.524 176.736 176.094 0.198 0.000 1.414 96 V CA -0.357 62.039 62.300 0.161 0.000 1.133 96 V CB 0.147 32.042 31.823 0.119 0.000 1.088 96 V HN 0.648 nan 8.190 nan 0.000 0.473 97 S N 0.777 116.568 115.700 0.151 0.000 2.537 97 S HA 0.679 5.150 4.470 0.002 0.000 0.301 97 S C -1.727 172.971 174.600 0.163 0.000 1.092 97 S CA -1.138 57.148 58.200 0.143 0.000 1.048 97 S CB 1.947 65.161 63.200 0.024 0.000 1.053 97 S HN 0.227 nan 8.310 nan 0.000 0.501 98 P HA -0.073 nan 4.420 nan 0.000 0.221 98 P C 1.280 178.600 177.300 0.034 0.000 1.145 98 P CA 0.921 64.073 63.100 0.086 0.000 0.795 98 P CB -0.055 31.622 31.700 -0.039 0.000 0.775 99 S N -1.542 114.167 115.700 0.016 0.000 2.489 99 S HA 0.101 4.573 4.470 0.002 0.000 0.228 99 S C 1.853 176.452 174.600 -0.002 0.000 0.995 99 S CA 0.727 58.922 58.200 -0.008 0.000 0.934 99 S CB -1.496 61.678 63.200 -0.043 0.000 0.771 99 S HN 0.273 nan 8.310 nan 0.000 0.522 100 G N 1.674 110.485 108.800 0.017 0.000 2.166 100 G HA2 -0.289 3.672 3.960 0.002 0.000 0.260 100 G HA3 -0.289 3.672 3.960 0.002 0.000 0.260 100 G C 0.081 174.980 174.900 -0.001 0.000 0.986 100 G CA 0.247 45.360 45.100 0.022 0.000 0.683 100 G HN 0.595 nan 8.290 nan 0.000 0.527 101 R N 0.183 120.661 120.500 -0.036 0.000 2.234 101 R HA 0.239 4.581 4.340 0.002 0.000 0.324 101 R C 0.856 177.122 176.300 -0.057 0.000 1.054 101 R CA -0.610 55.456 56.100 -0.057 0.000 0.912 101 R CB 0.445 30.676 30.300 -0.114 0.000 1.030 101 R HN 0.099 nan 8.270 nan 0.000 0.455 102 N N 2.358 121.045 118.700 -0.023 0.000 2.364 102 N HA -0.148 4.593 4.740 0.002 0.000 0.183 102 N C 0.826 176.324 175.510 -0.020 0.000 1.022 102 N CA 1.183 54.229 53.050 -0.007 0.000 0.883 102 N CB 0.271 38.767 38.487 0.015 0.000 0.965 102 N HN 0.510 nan 8.380 nan 0.000 0.438 103 E N 0.900 121.075 120.200 -0.042 0.000 2.153 103 E HA -0.099 4.252 4.350 0.002 0.000 0.194 103 E C 0.400 176.936 176.600 -0.106 0.000 0.988 103 E CA 0.748 57.123 56.400 -0.041 0.000 0.811 103 E CB -0.170 29.507 29.700 -0.039 0.000 0.746 103 E HN 0.453 nan 8.360 nan 0.000 0.466 104 Q N 1.408 121.080 119.800 -0.213 0.000 2.844 104 Q HA 0.105 4.446 4.340 0.002 0.000 0.235 104 Q C 0.085 176.037 176.000 -0.081 0.000 1.336 104 Q CA -0.267 55.382 55.803 -0.257 0.000 1.026 104 Q CB 0.040 28.514 28.738 -0.439 0.000 1.513 104 Q HN 0.263 nan 8.270 nan 0.000 0.577 105 N N -0.231 118.452 118.700 -0.028 0.000 2.177 105 N HA 0.047 4.788 4.740 0.002 0.000 0.218 105 N C -0.609 174.907 175.510 0.010 0.000 1.182 105 N CA 0.001 53.052 53.050 0.001 0.000 0.882 105 N CB 0.906 39.392 38.487 -0.003 0.000 1.052 105 N HN 0.074 nan 8.380 nan 0.000 0.519 106 V N 2.034 121.962 119.914 0.023 0.000 2.444 106 V HA 0.439 4.560 4.120 0.002 0.000 0.294 106 V C 0.085 176.205 176.094 0.042 0.000 1.022 106 V CA -0.791 61.530 62.300 0.036 0.000 0.850 106 V CB 2.023 33.876 31.823 0.049 0.000 0.992 106 V HN 0.073 nan 8.190 nan 0.000 0.426 107 I N 5.202 125.786 120.570 0.025 0.000 2.337 107 I HA 0.254 4.426 4.170 0.002 0.000 0.291 107 I C 0.138 176.256 176.117 0.000 0.000 1.046 107 I CA -0.377 60.906 61.300 -0.029 0.000 1.324 107 I CB 1.366 39.311 38.000 -0.091 0.000 1.409 107 I HN 0.313 nan 8.210 nan 0.000 0.494 108 V N 6.655 126.554 119.914 -0.024 0.000 2.924 108 V HA 0.025 4.146 4.120 0.002 0.000 0.305 108 V C 0.558 176.621 176.094 -0.051 0.000 1.073 108 V CA -0.593 61.702 62.300 -0.009 0.000 1.098 108 V CB 0.444 32.205 31.823 -0.102 0.000 1.000 108 V HN 0.771 nan 8.190 nan 0.000 0.484 112 H N 2.181 121.102 119.070 -0.249 0.000 2.512 112 H HA 0.129 4.687 4.556 0.003 0.000 0.276 112 H C 1.759 176.895 175.328 -0.320 0.000 1.126 112 H CA -0.180 55.728 56.048 -0.233 0.000 1.060 112 H CB 1.026 30.674 29.762 -0.189 0.000 1.646 112 H HN 0.314 nan 8.280 nan 0.000 0.571 113 R N 0.617 120.813 120.500 -0.507 0.000 2.170 113 R HA -0.044 4.297 4.340 0.002 0.000 0.242 113 R C 1.226 177.232 176.300 -0.489 0.000 1.145 113 R CA 1.484 57.092 56.100 -0.821 0.000 0.984 113 R CB -0.052 29.066 30.300 -1.970 0.000 0.869 113 R HN 0.116 nan 8.270 nan 0.000 0.455 114 A N 0.709 123.327 122.820 -0.338 0.000 2.684 114 A HA 0.311 4.632 4.320 0.002 0.000 0.288 114 A C 1.446 179.010 177.584 -0.034 0.000 1.337 114 A CA -0.518 51.462 52.037 -0.094 0.000 0.946 114 A CB -0.218 18.727 19.000 -0.091 0.000 1.093 114 A HN 0.278 nan 8.150 nan 0.000 0.543 115 I N 0.273 120.813 120.570 -0.050 0.000 2.163 115 I HA -0.283 3.888 4.170 0.002 0.000 0.243 115 I C 2.982 179.105 176.117 0.010 0.000 1.085 115 I CA 2.180 63.453 61.300 -0.044 0.000 1.347 115 I CB -0.189 37.785 38.000 -0.045 0.000 1.044 115 I HN 0.580 nan 8.210 nan 0.000 0.408 116 T N -2.085 112.503 114.554 0.057 0.000 2.867 116 T HA -0.174 4.177 4.350 0.002 0.000 0.268 116 T C 1.758 176.490 174.700 0.053 0.000 1.057 116 T CA 0.980 63.117 62.100 0.061 0.000 1.136 116 T CB -0.250 68.670 68.868 0.087 0.000 0.874 116 T HN 0.230 nan 8.240 nan 0.000 0.466 117 Q N 1.583 121.426 119.800 0.073 0.000 2.079 117 Q HA 0.313 4.655 4.340 0.002 0.000 0.200 117 Q C 2.710 178.724 176.000 0.023 0.000 0.974 117 Q CA 1.640 57.471 55.803 0.048 0.000 0.840 117 Q CB -0.934 27.850 28.738 0.076 0.000 0.898 117 Q HN 0.721 nan 8.270 nan 0.000 0.430 118 A N 0.826 123.658 122.820 0.019 0.000 1.908 118 A HA -0.264 4.058 4.320 0.002 0.000 0.218 118 A C 1.917 179.516 177.584 0.026 0.000 1.181 118 A CA 1.714 53.762 52.037 0.017 0.000 0.627 118 A CB -0.487 18.512 19.000 -0.001 0.000 0.818 118 A HN 0.407 nan 8.150 nan 0.000 0.445 119 E N -0.888 119.324 120.200 0.021 0.000 2.077 119 E HA -0.218 4.133 4.350 0.002 0.000 0.193 119 E C 2.298 178.912 176.600 0.024 0.000 0.989 119 E CA 1.304 57.718 56.400 0.023 0.000 0.800 119 E CB -0.184 29.528 29.700 0.021 0.000 0.746 119 E HN 0.657 nan 8.360 nan 0.000 0.452 120 R N 1.065 121.575 120.500 0.017 0.000 2.081 120 R HA -0.153 4.188 4.340 0.002 0.000 0.235 120 R C 2.242 178.547 176.300 0.008 0.000 1.131 120 R CA 1.349 57.453 56.100 0.007 0.000 0.960 120 R CB -0.276 30.020 30.300 -0.006 0.000 0.856 120 R HN 0.132 nan 8.270 nan 0.000 0.436 121 I N 1.404 121.981 120.570 0.012 0.000 2.208 121 I HA -0.304 3.867 4.170 0.002 0.000 0.245 121 I C 1.809 177.974 176.117 0.079 0.000 1.097 121 I CA 1.222 62.542 61.300 0.034 0.000 1.363 121 I CB -0.451 37.585 38.000 0.059 0.000 1.051 121 I HN 0.286 nan 8.210 nan 0.000 0.413 122 N N 1.093 119.835 118.700 0.070 0.000 2.223 122 N HA -0.117 4.625 4.740 0.002 0.000 0.185 122 N C 1.815 177.363 175.510 0.063 0.000 1.016 122 N CA 1.493 54.588 53.050 0.076 0.000 0.863 122 N CB -0.318 38.206 38.487 0.061 0.000 0.983 122 N HN 0.352 nan 8.380 nan 0.000 0.429 123 A N 0.320 123.168 122.820 0.046 0.000 2.121 123 A HA -0.102 4.219 4.320 0.002 0.000 0.218 123 A C 2.234 179.843 177.584 0.043 0.000 1.154 123 A CA 1.818 53.877 52.037 0.036 0.000 0.679 123 A CB -0.794 18.220 19.000 0.024 0.000 0.795 123 A HN 0.503 nan 8.150 nan 0.000 0.458 124 T N -3.257 111.333 114.554 0.061 0.000 2.985 124 T HA -0.025 4.327 4.350 0.002 0.000 0.266 124 T C 0.913 175.672 174.700 0.098 0.000 1.076 124 T CA 0.915 63.062 62.100 0.079 0.000 1.135 124 T CB -0.429 68.501 68.868 0.102 0.000 0.890 124 T HN 0.544 nan 8.240 nan 0.000 0.480 125 K N 0.794 121.255 120.400 0.102 0.000 3.088 125 K HA -0.207 4.114 4.320 0.002 0.000 0.273 125 K C 0.015 176.681 176.600 0.109 0.000 1.111 125 K CA 0.623 56.960 56.287 0.082 0.000 0.803 125 K CB -2.237 30.284 32.500 0.036 0.000 1.226 125 K HN 0.737 nan 8.250 nan 0.000 0.485 126 H N 0.950 120.085 119.070 0.108 0.000 2.972 126 H HA -0.009 4.548 4.556 0.002 0.000 0.343 126 H C -1.557 173.845 175.328 0.123 0.000 1.054 126 H CA -0.778 55.360 56.048 0.150 0.000 1.412 126 H CB 1.068 31.006 29.762 0.293 0.000 1.385 126 H HN -0.136 nan 8.280 nan 0.000 0.600 127 P HA -0.207 nan 4.420 nan 0.000 0.217 127 P C 1.643 179.102 177.300 0.264 0.000 1.148 127 P CA 1.844 64.950 63.100 0.010 0.000 0.834 127 P CB 0.010 31.665 31.700 -0.075 0.000 0.783 128 V N -3.681 116.551 119.914 0.530 0.000 3.078 128 V HA -0.154 3.967 4.120 0.002 0.000 0.265 128 V C 1.864 178.133 176.094 0.292 0.000 1.122 128 V CA 1.451 64.000 62.300 0.415 0.000 1.141 128 V CB -1.606 30.258 31.823 0.068 0.000 0.735 128 V HN 0.059 nan 8.190 nan 0.000 0.498 129 L N -0.324 121.019 121.223 0.199 0.000 2.291 129 L HA 0.011 4.353 4.340 0.002 0.000 0.214 129 L C 2.708 179.621 176.870 0.071 0.000 1.120 129 L CA 0.887 55.806 54.840 0.132 0.000 0.799 129 L CB -0.634 41.503 42.059 0.131 0.000 0.925 129 L HN 0.292 nan 8.230 nan 0.000 0.446 130 E N 0.220 120.384 120.200 -0.060 0.000 2.267 130 E HA -0.164 4.187 4.350 0.002 0.000 0.197 130 E C 1.518 177.990 176.600 -0.212 0.000 0.998 130 E CA 1.244 57.492 56.400 -0.254 0.000 0.830 130 E CB -0.180 29.157 29.700 -0.603 0.000 0.751 130 E HN 0.463 nan 8.360 nan 0.000 0.491 131 F N -0.461 119.646 119.950 0.261 0.000 2.693 131 F HA 0.049 4.577 4.527 0.002 0.000 0.303 131 F C 1.466 177.321 175.800 0.092 0.000 1.097 131 F CA -0.075 58.057 58.000 0.221 0.000 1.330 131 F CB 0.463 39.668 39.000 0.342 0.000 1.067 131 F HN -0.159 nan 8.300 nan 0.000 0.565 132 V N -3.117 116.931 119.914 0.224 0.000 2.988 132 V HA 0.659 4.780 4.120 0.002 0.000 0.356 132 V C 1.098 177.356 176.094 0.275 0.000 1.380 132 V CA -0.017 62.425 62.300 0.237 0.000 1.184 132 V CB 0.041 31.980 31.823 0.193 0.000 1.204 132 V HN 0.333 nan 8.190 nan 0.000 0.530 133 G N -0.090 108.809 108.800 0.164 0.000 2.143 133 G HA2 0.060 4.021 3.960 0.002 0.000 0.248 133 G HA3 0.060 4.021 3.960 0.002 0.000 0.248 133 G C 1.392 176.348 174.900 0.094 0.000 0.991 133 G CA 0.635 45.809 45.100 0.124 0.000 0.689 133 G HN 2.179 nan 8.290 nan 0.000 0.522 134 G N -3.005 105.847 108.800 0.087 0.000 2.217 134 G HA2 0.015 3.976 3.960 0.002 0.000 0.246 134 G HA3 0.015 3.976 3.960 0.002 0.000 0.246 134 G C 0.291 175.239 174.900 0.080 0.000 0.990 134 G CA 0.625 45.759 45.100 0.057 0.000 0.627 134 G HN 1.779 nan 8.290 nan 0.000 0.522 135 V N 1.683 121.668 119.914 0.119 0.000 2.462 135 V HA 0.526 4.647 4.120 0.002 0.000 0.288 135 V C 0.331 176.528 176.094 0.173 0.000 1.020 135 V CA -0.712 61.661 62.300 0.122 0.000 0.857 135 V CB 1.740 33.622 31.823 0.099 0.000 1.013 135 V HN 0.433 nan 8.190 nan 0.000 0.431 136 I N 3.291 123.940 120.570 0.133 0.000 2.634 136 I HA 0.277 4.448 4.170 0.002 0.000 0.284 136 I C 0.830 177.021 176.117 0.123 0.000 1.124 136 I CA 0.675 62.044 61.300 0.115 0.000 1.417 136 I CB 1.371 39.418 38.000 0.080 0.000 1.396 136 I HN 0.725 nan 8.210 nan 0.000 0.571 137 S N 7.885 123.673 115.700 0.147 0.000 2.585 137 S HA 0.434 4.906 4.470 0.002 0.000 0.277 137 S C -1.337 173.284 174.600 0.036 0.000 1.241 137 S CA -1.482 56.809 58.200 0.152 0.000 1.041 137 S CB 1.249 64.675 63.200 0.377 0.000 0.987 137 S HN 0.537 nan 8.310 nan 0.000 0.512 138 P HA -0.037 nan 4.420 nan 0.000 0.228 138 P C 0.050 177.331 177.300 -0.031 0.000 1.151 138 P CA 0.709 63.760 63.100 -0.081 0.000 0.770 138 P CB 0.098 31.676 31.700 -0.204 0.000 0.786 142 T N -0.281 114.100 114.554 -0.290 0.000 2.788 142 T HA -0.044 4.308 4.350 0.002 0.000 0.268 142 T C -1.051 173.617 174.700 -0.054 0.000 1.044 142 T CA 1.626 63.663 62.100 -0.106 0.000 1.139 142 T CB -1.146 67.732 68.868 0.016 0.000 0.867 142 T HN 0.002 nan 8.240 nan 0.000 0.454 143 P HA -0.005 nan 4.420 nan 0.000 0.215 143 P C 1.488 178.789 177.300 0.002 0.000 1.153 143 P CA 1.283 64.371 63.100 -0.019 0.000 0.853 143 P CB -0.090 31.595 31.700 -0.025 0.000 0.788 144 K N -0.763 119.611 120.400 -0.044 0.000 2.148 144 K HA -0.056 4.265 4.320 0.002 0.000 0.204 144 K C 2.027 178.685 176.600 0.096 0.000 1.050 144 K CA 1.015 57.291 56.287 -0.018 0.000 0.942 144 K CB -0.592 31.849 32.500 -0.098 0.000 0.724 144 K HN 0.153 nan 8.250 nan 0.000 0.446 145 L N 0.430 121.687 121.223 0.057 0.000 2.109 145 L HA -0.150 4.191 4.340 0.002 0.000 0.207 145 L C 2.280 179.139 176.870 -0.019 0.000 1.086 145 L CA 0.354 55.288 54.840 0.156 0.000 0.760 145 L CB -0.309 41.883 42.059 0.223 0.000 0.910 145 L HN 0.154 nan 8.230 nan 0.000 0.437 146 L N -0.710 120.491 121.223 -0.038 0.000 2.046 146 L HA -0.213 4.128 4.340 0.002 0.000 0.208 146 L C 2.222 179.047 176.870 -0.075 0.000 1.077 146 L CA 1.766 56.529 54.840 -0.128 0.000 0.747 146 L CB -0.728 41.282 42.059 -0.082 0.000 0.896 146 L HN 0.296 nan 8.230 nan 0.000 0.432 147 W N -0.234 121.000 121.300 -0.110 0.000 2.338 147 W HA -0.242 4.420 4.660 0.003 0.000 0.304 147 W C 2.258 178.773 176.519 -0.007 0.000 1.212 147 W CA 1.946 59.268 57.345 -0.039 0.000 1.264 147 W CB -0.113 29.277 29.460 -0.117 0.000 1.142 147 W HN 0.121 nan 8.180 nan 0.000 0.512 148 L N 0.581 121.985 121.223 0.301 0.000 2.093 148 L HA -0.190 4.151 4.340 0.002 0.000 0.208 148 L C 2.592 179.376 176.870 -0.143 0.000 1.085 148 L CA 1.640 56.614 54.840 0.224 0.000 0.755 148 L CB -0.812 41.489 42.059 0.404 0.000 0.904 148 L HN -0.034 nan 8.230 nan 0.000 0.435 149 K N -0.102 119.961 120.400 -0.562 0.000 2.097 149 K HA -0.209 4.112 4.320 0.002 0.000 0.206 149 K C 2.069 178.326 176.600 -0.572 0.000 1.049 149 K CA 1.388 57.038 56.287 -1.061 0.000 0.933 149 K CB 0.097 31.612 32.500 -1.643 0.000 0.717 149 K HN 0.369 nan 8.250 nan 0.000 0.442 150 Q N -0.937 118.597 119.800 -0.443 0.000 2.062 150 Q HA -0.050 4.291 4.340 0.002 0.000 0.196 150 Q C 0.433 176.149 176.000 -0.473 0.000 0.967 150 Q CA 0.969 56.526 55.803 -0.409 0.000 0.832 150 Q CB 0.013 28.524 28.738 -0.378 0.000 0.899 150 Q HN 0.382 nan 8.270 nan 0.000 0.442 154 N N 0.147 118.895 118.700 0.080 0.000 2.120 154 N HA -0.100 4.641 4.740 0.002 0.000 0.188 154 N C 1.239 176.803 175.510 0.089 0.000 1.024 154 N CA 1.705 54.797 53.050 0.070 0.000 0.852 154 N CB -0.084 38.432 38.487 0.048 0.000 1.003 154 N HN 0.177 nan 8.380 nan 0.000 0.424 155 T N 0.351 114.976 114.554 0.118 0.000 2.652 155 T HA -0.201 4.150 4.350 0.002 0.000 0.267 155 T C 1.318 176.111 174.700 0.156 0.000 1.039 155 T CA 0.870 63.048 62.100 0.131 0.000 1.153 155 T CB -0.367 68.600 68.868 0.166 0.000 0.863 155 T HN 0.441 nan 8.240 nan 0.000 0.428 156 W N 1.519 122.821 121.300 0.005 0.000 2.342 156 W HA -0.167 4.494 4.660 0.002 0.000 0.297 156 W C 2.364 178.870 176.519 -0.022 0.000 1.213 156 W CA 1.133 58.474 57.345 -0.006 0.000 1.251 156 W CB -0.278 29.175 29.460 -0.012 0.000 1.136 156 W HN 0.236 nan 8.180 nan 0.000 0.526 157 S N 0.367 116.135 115.700 0.113 0.000 2.399 157 S HA -0.147 4.325 4.470 0.002 0.000 0.231 157 S C 1.150 175.707 174.600 -0.071 0.000 1.022 157 S CA 1.059 59.266 58.200 0.012 0.000 0.983 157 S CB -0.321 62.907 63.200 0.046 0.000 0.803 157 S HN 0.301 nan 8.310 nan 0.000 0.480 158 N N 1.013 119.676 118.700 -0.061 0.000 2.214 158 N HA 0.154 4.895 4.740 0.002 0.000 0.214 158 N C -0.471 174.966 175.510 -0.121 0.000 1.132 158 N CA 0.059 53.066 53.050 -0.072 0.000 0.856 158 N CB 0.707 39.179 38.487 -0.024 0.000 1.020 158 N HN 0.138 nan 8.380 nan 0.000 0.509 159 V N 0.462 120.253 119.914 -0.206 0.000 2.655 159 V HA 0.137 4.258 4.120 0.002 0.000 0.300 159 V C 1.469 177.380 176.094 -0.305 0.000 1.044 159 V CA 0.522 62.661 62.300 -0.268 0.000 1.095 159 V CB 1.377 32.936 31.823 -0.440 0.000 0.952 159 V HN 0.296 nan 8.190 nan 0.000 0.485 160 G N 3.534 112.145 108.800 -0.315 0.000 2.834 160 G HA2 0.162 4.124 3.960 0.002 0.000 0.198 160 G HA3 0.162 4.124 3.960 0.002 0.000 0.198 160 G C 0.400 174.787 174.900 -0.855 0.000 1.070 160 G CA 0.012 44.803 45.100 -0.514 0.000 0.771 160 G HN 0.654 nan 8.290 nan 0.000 0.601 161 H N -0.529 118.339 119.070 -0.337 0.000 2.771 161 H HA 0.493 5.050 4.556 0.002 0.000 0.361 161 H C -1.313 173.740 175.328 -0.458 0.000 1.108 161 H CA -0.487 55.224 56.048 -0.563 0.000 1.201 161 H CB 2.319 31.602 29.762 -0.797 0.000 1.681 161 H HN -0.045 nan 8.280 nan 0.000 0.534 162 L N 3.711 124.695 121.223 -0.399 0.000 2.345 162 L HA 0.348 4.689 4.340 0.002 0.000 0.274 162 L C -1.065 175.720 176.870 -0.143 0.000 0.999 162 L CA -0.440 54.341 54.840 -0.099 0.000 0.849 162 L CB 0.668 42.785 42.059 0.095 0.000 1.220 162 L HN 0.312 nan 8.230 nan 0.000 0.422 163 F N 0.742 120.777 119.950 0.142 0.000 2.482 163 F HA 0.297 4.826 4.527 0.002 0.000 0.331 163 F C 0.532 176.507 175.800 0.292 0.000 1.115 163 F CA -0.932 57.123 58.000 0.093 0.000 0.955 163 F CB 1.658 40.704 39.000 0.077 0.000 1.136 163 F HN 0.376 nan 8.300 nan 0.000 0.452 164 D N 2.128 122.852 120.400 0.540 0.000 2.455 164 D HA 0.023 4.664 4.640 0.002 0.000 0.241 164 D C 1.260 177.778 176.300 0.365 0.000 1.138 164 D CA 0.192 54.500 54.000 0.513 0.000 0.877 164 D CB 0.871 41.950 40.800 0.464 0.000 1.187 164 D HN 0.499 nan 8.370 nan 0.000 0.451 165 L N 6.653 128.062 121.223 0.310 0.000 2.064 165 L HA -0.126 4.215 4.340 0.002 0.000 0.216 165 L C -1.146 175.885 176.870 0.268 0.000 1.077 165 L CA 2.036 57.048 54.840 0.286 0.000 0.766 165 L CB -1.174 41.033 42.059 0.246 0.000 0.890 165 L HN 0.551 nan 8.230 nan 0.000 0.435 166 P HA -0.100 nan 4.420 nan 0.000 0.217 166 P C 0.993 178.338 177.300 0.075 0.000 1.150 166 P CA 1.509 64.701 63.100 0.154 0.000 0.832 166 P CB -0.073 31.699 31.700 0.120 0.000 0.787 167 D N -1.620 118.826 120.400 0.076 0.000 2.183 167 D HA -0.106 4.535 4.640 0.002 0.000 0.203 167 D C 1.657 177.791 176.300 -0.277 0.000 0.969 167 D CA 0.671 54.664 54.000 -0.012 0.000 0.842 167 D CB -0.752 40.121 40.800 0.122 0.000 0.957 167 D HN 0.127 nan 8.370 nan 0.000 0.484 168 F N 1.759 121.472 119.950 -0.395 0.000 2.126 168 F HA -0.167 4.361 4.527 0.002 0.000 0.299 168 F C 2.014 177.588 175.800 -0.378 0.000 1.096 168 F CA 1.203 58.807 58.000 -0.661 0.000 1.255 168 F CB -0.397 38.460 39.000 -0.239 0.000 0.997 168 F HN -0.134 nan 8.300 nan 0.000 0.479 169 L N 0.081 121.106 121.223 -0.331 0.000 2.017 169 L HA -0.232 4.110 4.340 0.002 0.000 0.208 169 L C 2.664 179.087 176.870 -0.744 0.000 1.073 169 L CA 2.023 56.594 54.840 -0.449 0.000 0.745 169 L CB -1.393 40.590 42.059 -0.127 0.000 0.894 169 L HN 0.363 nan 8.230 nan 0.000 0.432 170 T N -3.788 110.436 114.554 -0.549 0.000 2.904 170 T HA -0.239 4.112 4.350 0.002 0.000 0.267 170 T C 1.463 175.923 174.700 -0.400 0.000 1.059 170 T CA 0.701 62.522 62.100 -0.465 0.000 1.137 170 T CB -0.617 68.139 68.868 -0.186 0.000 0.879 170 T HN 0.531 nan 8.240 nan 0.000 0.467 171 W N 2.448 123.362 121.300 -0.644 0.000 2.381 171 W HA 0.083 4.744 4.660 0.001 0.000 0.301 171 W C 2.380 178.476 176.519 -0.705 0.000 1.205 171 W CA 0.624 57.596 57.345 -0.621 0.000 1.285 171 W CB -0.102 28.856 29.460 -0.837 0.000 1.133 171 W HN -0.065 nan 8.180 nan 0.000 0.521 172 R N 0.318 120.164 120.500 -1.090 0.000 2.152 172 R HA -0.108 4.233 4.340 0.002 0.000 0.232 172 R C 2.102 177.731 176.300 -1.119 0.000 1.117 172 R CA 1.481 56.668 56.100 -1.520 0.000 0.981 172 R CB -1.025 27.971 30.300 -2.174 0.000 0.870 172 R HN 0.366 nan 8.270 nan 0.000 0.451 173 A N -0.015 122.362 122.820 -0.740 0.000 2.030 173 A HA -0.051 4.270 4.320 0.002 0.000 0.215 173 A C 1.850 179.286 177.584 -0.246 0.000 1.164 173 A CA 1.466 53.330 52.037 -0.288 0.000 0.697 173 A CB 0.075 18.962 19.000 -0.188 0.000 0.827 173 A HN 0.424 nan 8.150 nan 0.000 0.457 174 T N -5.906 108.444 114.554 -0.340 0.000 2.986 174 T HA 0.247 4.599 4.350 0.002 0.000 0.264 174 T C 0.735 175.274 174.700 -0.268 0.000 0.964 174 T CA 0.671 62.638 62.100 -0.223 0.000 0.895 174 T CB 0.018 68.801 68.868 -0.142 0.000 1.163 174 T HN 0.398 nan 8.240 nan 0.000 0.517 175 K N 0.438 120.556 120.400 -0.471 0.000 3.547 175 K HA -0.153 4.168 4.320 0.002 0.000 0.309 175 K C -0.440 176.074 176.600 -0.144 0.000 1.324 175 K CA 1.237 57.245 56.287 -0.464 0.000 0.988 175 K CB -1.480 30.854 32.500 -0.277 0.000 1.261 175 K HN 0.505 nan 8.250 nan 0.000 0.444 176 D N 1.536 121.891 120.400 -0.074 0.000 2.312 176 D HA 0.074 4.715 4.640 0.002 0.000 0.252 176 D C 0.441 176.876 176.300 0.224 0.000 1.150 176 D CA 0.222 54.250 54.000 0.047 0.000 0.870 176 D CB 0.848 41.632 40.800 -0.028 0.000 1.153 176 D HN 0.155 nan 8.370 nan 0.000 0.457 177 E N 1.357 121.717 120.200 0.265 0.000 2.476 177 E HA 0.030 4.381 4.350 0.002 0.000 0.191 177 E C 0.145 176.828 176.600 0.138 0.000 1.064 177 E CA 0.065 56.630 56.400 0.275 0.000 0.866 177 E CB 0.307 30.119 29.700 0.186 0.000 0.952 177 E HN 0.384 nan 8.360 nan 0.000 0.492 178 T N 2.392 116.990 114.554 0.073 0.000 2.934 178 T HA 0.039 4.390 4.350 0.002 0.000 0.306 178 T C 0.385 175.081 174.700 -0.006 0.000 1.042 178 T CA 0.146 62.249 62.100 0.005 0.000 1.145 178 T CB 0.439 69.294 68.868 -0.022 0.000 0.982 178 T HN -0.016 nan 8.240 nan 0.000 0.544 179 R N 1.847 122.305 120.500 -0.070 0.000 2.643 179 R HA 0.493 4.835 4.340 0.002 0.000 0.272 179 R C 0.382 176.584 176.300 -0.163 0.000 0.995 179 R CA -0.709 55.323 56.100 -0.113 0.000 1.032 179 R CB 1.102 31.282 30.300 -0.199 0.000 1.126 179 R HN 0.591 nan 8.270 nan 0.000 0.505 180 S N 0.536 116.145 115.700 -0.152 0.000 2.565 180 S HA 0.153 4.624 4.470 0.002 0.000 0.274 180 S C 1.734 176.191 174.600 -0.237 0.000 1.309 180 S CA -0.578 57.527 58.200 -0.158 0.000 1.043 180 S CB 0.489 63.625 63.200 -0.106 0.000 0.939 180 S HN 0.557 nan 8.310 nan 0.000 0.504 181 L N 3.357 124.449 121.223 -0.219 0.000 2.081 181 L HA -0.147 4.195 4.340 0.002 0.000 0.212 181 L C 2.699 179.452 176.870 -0.196 0.000 1.080 181 L CA 1.551 56.258 54.840 -0.223 0.000 0.754 181 L CB -0.550 41.419 42.059 -0.151 0.000 0.893 181 L HN 0.923 nan 8.230 nan 0.000 0.433 182 C N -1.123 118.066 119.300 -0.184 0.000 2.442 182 C HA -0.161 4.300 4.460 0.002 0.000 0.279 182 C C 3.185 178.027 174.990 -0.248 0.000 1.237 182 C CA 1.489 60.364 59.018 -0.238 0.000 1.722 182 C CB -0.468 27.117 27.740 -0.258 0.000 2.056 182 C HN 0.510 nan 8.230 nan 0.000 0.469 183 S N 0.369 115.970 115.700 -0.165 0.000 2.348 183 S HA -0.188 4.284 4.470 0.002 0.000 0.221 183 S C 2.024 176.668 174.600 0.074 0.000 1.033 183 S CA 2.394 60.575 58.200 -0.032 0.000 1.010 183 S CB -0.730 62.484 63.200 0.023 0.000 0.891 183 S HN 0.932 nan 8.310 nan 0.000 0.442 184 T N 0.479 114.968 114.554 -0.108 0.000 2.684 184 T HA -0.072 4.279 4.350 0.002 0.000 0.267 184 T C 1.788 176.552 174.700 0.106 0.000 1.036 184 T CA 1.572 63.633 62.100 -0.066 0.000 1.148 184 T CB -0.923 67.635 68.868 -0.516 0.000 0.863 184 T HN 0.173 nan 8.240 nan 0.000 0.436 185 V N 1.073 120.966 119.914 -0.034 0.000 2.295 185 V HA -0.170 3.951 4.120 0.002 0.000 0.246 185 V C 3.188 179.174 176.094 -0.181 0.000 1.049 185 V CA 1.759 64.055 62.300 -0.006 0.000 1.024 185 V CB -0.933 30.868 31.823 -0.037 0.000 0.648 185 V HN 0.692 nan 8.190 nan 0.000 0.447 186 C N -0.366 118.674 119.300 -0.432 0.000 2.457 186 C HA 0.010 4.471 4.460 0.002 0.000 0.278 186 C C 2.285 177.127 174.990 -0.247 0.000 1.309 186 C CA 0.486 59.031 59.018 -0.789 0.000 1.735 186 C CB -0.690 26.664 27.740 -0.642 0.000 1.992 186 C HN 0.500 nan 8.230 nan 0.000 0.493 187 K N -1.974 118.426 120.400 -0.000 0.000 2.440 187 K HA 0.103 4.425 4.320 0.002 0.000 0.207 187 K C 0.530 177.114 176.600 -0.026 0.000 1.112 187 K CA 0.261 56.536 56.287 -0.020 0.000 1.036 187 K CB 0.133 32.625 32.500 -0.014 0.000 0.935 187 K HN 0.549 nan 8.250 nan 0.000 0.564 188 W N 1.747 123.125 121.300 0.130 0.000 2.714 188 W HA 0.009 4.670 4.660 0.002 0.000 0.353 188 W C 0.533 177.281 176.519 0.383 0.000 0.999 188 W CA 0.660 58.194 57.345 0.315 0.000 1.629 188 W CB 0.369 30.158 29.460 0.549 0.000 1.106 188 W HN 0.200 nan 8.180 nan 0.000 0.545 189 T N -3.788 111.002 114.554 0.394 0.000 5.496 189 T HA -0.344 4.008 4.350 0.002 0.000 0.269 189 T C -0.028 174.860 174.700 0.312 0.000 2.195 189 T CA 0.518 62.738 62.100 0.199 0.000 3.732 189 T CB -2.643 66.070 68.868 -0.258 0.000 0.680 189 T HN 0.179 nan 8.240 nan 0.000 1.131 190 Y N 2.067 122.485 120.300 0.197 0.000 2.610 190 Y HA 0.509 5.060 4.550 0.002 0.000 0.332 190 Y C 0.717 176.511 175.900 -0.176 0.000 1.201 190 Y CA -0.359 57.616 58.100 -0.208 0.000 1.465 190 Y CB 0.420 38.463 38.460 -0.695 0.000 1.283 190 Y HN 0.487 nan 8.280 nan 0.000 0.563 191 L N 7.092 127.914 121.223 -0.668 0.000 2.268 191 L HA 0.258 4.599 4.340 0.002 0.000 0.289 191 L C 1.355 177.820 176.870 -0.674 0.000 1.064 191 L CA 0.075 54.521 54.840 -0.657 0.000 0.824 191 L CB 0.836 42.438 42.059 -0.761 0.000 1.202 191 L HN 1.004 nan 8.230 nan 0.000 0.433 192 G N 1.800 110.425 108.800 -0.292 0.000 2.422 192 G HA2 -0.213 3.748 3.960 0.002 0.000 0.218 192 G HA3 -0.213 3.748 3.960 0.002 0.000 0.218 192 G C 1.367 176.220 174.900 -0.079 0.000 1.140 192 G CA 0.411 45.474 45.100 -0.061 0.000 0.775 192 G HN 0.862 nan 8.290 nan 0.000 0.545 193 H N 0.041 118.995 119.070 -0.195 0.000 2.529 193 H HA 0.157 4.714 4.556 0.002 0.000 0.277 193 H C 1.114 176.303 175.328 -0.231 0.000 0.999 193 H CA 1.147 56.975 56.048 -0.366 0.000 1.256 193 H CB 0.085 29.582 29.762 -0.441 0.000 1.402 193 H HN 0.476 nan 8.280 nan 0.000 0.566 194 E N 0.448 120.320 120.200 -0.547 0.000 2.562 194 E HA 0.021 4.372 4.350 0.002 0.000 0.214 194 E C -0.369 176.050 176.600 -0.301 0.000 0.979 194 E CA -0.264 55.935 56.400 -0.335 0.000 1.002 194 E CB 0.588 30.094 29.700 -0.325 0.000 1.048 194 E HN 0.125 nan 8.360 nan 0.000 0.488 195 D N 2.241 122.443 120.400 -0.330 0.000 2.755 195 D HA -0.193 4.448 4.640 0.002 0.000 0.227 195 D C -0.526 175.524 176.300 -0.417 0.000 1.211 195 D CA 1.293 55.135 54.000 -0.263 0.000 0.663 195 D CB -0.677 40.088 40.800 -0.059 0.000 0.983 195 D HN 0.431 nan 8.370 nan 0.000 0.407 196 R N -1.326 118.609 120.500 -0.942 0.000 2.728 196 R HA 0.521 4.863 4.340 0.002 0.000 0.274 196 R C -1.012 174.742 176.300 -0.910 0.000 1.032 196 R CA -1.103 54.555 56.100 -0.736 0.000 0.866 196 R CB 0.309 30.459 30.300 -0.251 0.000 1.263 196 R HN -0.037 nan 8.270 nan 0.000 0.475 197 W N 1.152 122.337 121.300 -0.192 0.000 2.202 197 W HA 0.212 4.873 4.660 0.002 0.000 0.332 197 W C 0.216 176.795 176.519 0.101 0.000 1.263 197 W CA 0.039 57.432 57.345 0.079 0.000 1.223 197 W CB 0.701 30.256 29.460 0.159 0.000 1.128 197 W HN 0.389 nan 8.180 nan 0.000 0.573 198 D N 3.441 124.139 120.400 0.497 0.000 2.380 198 D HA 0.175 4.816 4.640 0.002 0.000 0.230 198 D C -1.639 174.953 176.300 0.485 0.000 1.154 198 D CA -2.152 52.080 54.000 0.388 0.000 0.859 198 D CB 1.594 42.606 40.800 0.355 0.000 1.045 198 D HN 0.005 nan 8.370 nan 0.000 0.495 199 P HA -0.111 nan 4.420 nan 0.000 0.221 199 P C 1.421 178.896 177.300 0.293 0.000 1.150 199 P CA 0.797 64.081 63.100 0.306 0.000 0.800 199 P CB 0.230 32.040 31.700 0.184 0.000 0.787 200 S N -1.752 114.129 115.700 0.301 0.000 2.402 200 S HA -0.226 4.245 4.470 0.002 0.000 0.229 200 S C 2.069 176.823 174.600 0.256 0.000 1.021 200 S CA 0.704 59.092 58.200 0.313 0.000 0.974 200 S CB -1.596 61.834 63.200 0.382 0.000 0.800 200 S HN 0.113 nan 8.310 nan 0.000 0.484 201 Y N 1.548 121.803 120.300 -0.075 0.000 2.133 201 Y HA 0.030 4.581 4.550 0.002 0.000 0.287 201 Y C 1.802 177.545 175.900 -0.261 0.000 1.134 201 Y CA 1.339 59.064 58.100 -0.626 0.000 1.133 201 Y CB -0.746 37.265 38.460 -0.750 0.000 0.987 201 Y HN 0.238 nan 8.280 nan 0.000 0.502 202 F N 0.822 120.728 119.950 -0.074 0.000 2.126 202 F HA -0.164 4.364 4.527 0.002 0.000 0.299 202 F C 2.628 178.339 175.800 -0.149 0.000 1.096 202 F CA 2.276 60.194 58.000 -0.137 0.000 1.255 202 F CB -1.106 37.901 39.000 0.012 0.000 0.997 202 F HN 0.091 nan 8.300 nan 0.000 0.479 203 K N 0.494 120.958 120.400 0.107 0.000 1.978 203 K HA -0.190 4.131 4.320 0.002 0.000 0.214 203 K C 1.880 178.462 176.600 -0.030 0.000 1.049 203 K CA 1.811 58.128 56.287 0.050 0.000 0.939 203 K CB -1.601 30.947 32.500 0.080 0.000 0.721 203 K HN 0.269 nan 8.250 nan 0.000 0.441 204 L N 0.354 121.543 121.223 -0.056 0.000 2.189 204 L HA -0.031 4.310 4.340 0.002 0.000 0.214 204 L C 2.146 178.928 176.870 -0.148 0.000 1.097 204 L CA 1.582 56.385 54.840 -0.063 0.000 0.764 204 L CB -0.102 41.968 42.059 0.019 0.000 0.900 204 L HN 0.213 nan 8.230 nan 0.000 0.436 205 V N -0.592 119.152 119.914 -0.283 0.000 3.660 205 V HA 0.358 4.479 4.120 0.002 0.000 0.276 205 V C 1.478 177.445 176.094 -0.212 0.000 1.317 205 V CA 0.696 62.793 62.300 -0.338 0.000 1.097 205 V CB -0.133 31.238 31.823 -0.753 0.000 0.863 205 V HN 0.707 nan 8.190 nan 0.000 0.438 206 G N 0.686 109.404 108.800 -0.137 0.000 2.132 206 G HA2 -0.206 3.755 3.960 0.002 0.000 0.228 206 G HA3 -0.206 3.755 3.960 0.002 0.000 0.228 206 G C 0.263 175.130 174.900 -0.055 0.000 1.000 206 G CA 0.312 45.357 45.100 -0.092 0.000 0.693 206 G HN 0.462 nan 8.290 nan 0.000 0.515 207 L N -0.412 120.823 121.223 0.020 0.000 3.289 207 L HA 0.480 4.821 4.340 0.002 0.000 0.291 207 L C 2.264 179.282 176.870 0.247 0.000 1.279 207 L CA 0.328 55.277 54.840 0.182 0.000 1.025 207 L CB 0.269 42.501 42.059 0.288 0.000 1.413 207 L HN 0.251 nan 8.230 nan 0.000 0.593 208 A N 0.829 123.737 122.820 0.146 0.000 1.986 208 A HA -0.252 4.070 4.320 0.002 0.000 0.220 208 A C 1.935 179.545 177.584 0.043 0.000 1.171 208 A CA 2.185 54.284 52.037 0.104 0.000 0.640 208 A CB -0.311 18.729 19.000 0.066 0.000 0.811 208 A HN 0.631 nan 8.150 nan 0.000 0.451 209 D N -0.202 120.250 120.400 0.086 0.000 2.263 209 D HA -0.135 4.506 4.640 0.002 0.000 0.208 209 D C 1.410 177.681 176.300 -0.048 0.000 0.971 209 D CA 0.683 54.711 54.000 0.046 0.000 0.867 209 D CB -0.583 40.290 40.800 0.122 0.000 0.929 209 D HN 0.279 nan 8.370 nan 0.000 0.492 210 L N -0.264 120.933 121.223 -0.043 0.000 2.265 210 L HA -0.026 4.316 4.340 0.002 0.000 0.215 210 L C 1.935 178.569 176.870 -0.393 0.000 1.117 210 L CA 0.821 55.535 54.840 -0.209 0.000 0.782 210 L CB -0.776 41.197 42.059 -0.144 0.000 0.914 210 L HN 0.109 nan 8.230 nan 0.000 0.441 211 L N -1.130 119.866 121.223 -0.379 0.000 2.558 211 L HA 0.062 4.403 4.340 0.002 0.000 0.225 211 L C 0.605 177.348 176.870 -0.210 0.000 1.128 211 L CA 0.149 54.764 54.840 -0.375 0.000 0.868 211 L CB -0.821 41.047 42.059 -0.318 0.000 1.006 211 L HN 0.131 nan 8.230 nan 0.000 0.454 212 D N 0.445 120.744 120.400 -0.167 0.000 2.390 212 D HA -0.042 4.599 4.640 0.002 0.000 0.236 212 D C 0.631 176.856 176.300 -0.125 0.000 1.189 212 D CA 0.262 54.190 54.000 -0.120 0.000 0.887 212 D CB 0.044 40.780 40.800 -0.106 0.000 1.198 212 D HN 0.068 nan 8.370 nan 0.000 0.444 213 N N 1.394 120.039 118.700 -0.091 0.000 2.707 213 N HA -0.262 4.479 4.740 0.002 0.000 0.253 213 N C -0.477 174.988 175.510 -0.075 0.000 0.998 213 N CA 0.684 53.686 53.050 -0.080 0.000 0.751 213 N CB -1.210 37.221 38.487 -0.094 0.000 0.920 213 N HN 0.495 nan 8.380 nan 0.000 0.539 214 N N -0.955 117.710 118.700 -0.059 0.000 2.740 214 N HA -0.301 4.440 4.740 0.002 0.000 0.248 214 N C 0.309 175.791 175.510 -0.045 0.000 1.062 214 N CA 1.385 54.416 53.050 -0.032 0.000 0.704 214 N CB -1.182 37.301 38.487 -0.007 0.000 0.968 214 N HN 1.144 nan 8.380 nan 0.000 0.547 215 A N -2.502 120.241 122.820 -0.128 0.000 2.905 215 A HA -0.208 4.113 4.320 0.002 0.000 0.260 215 A C 1.728 179.192 177.584 -0.200 0.000 1.398 215 A CA 2.031 53.930 52.037 -0.230 0.000 0.840 215 A CB -2.020 16.881 19.000 -0.165 0.000 1.059 215 A HN 1.327 nan 8.150 nan 0.000 0.647 216 A N -0.577 122.137 122.820 -0.178 0.000 1.940 216 A HA -0.138 4.183 4.320 0.002 0.000 0.219 216 A C 1.917 179.343 177.584 -0.263 0.000 1.176 216 A CA 2.029 53.960 52.037 -0.177 0.000 0.631 216 A CB -0.369 18.537 19.000 -0.157 0.000 0.814 216 A HN 0.736 nan 8.150 nan 0.000 0.446 217 K N -0.614 119.591 120.400 -0.324 0.000 2.148 217 K HA -0.028 4.293 4.320 0.002 0.000 0.204 217 K C 1.626 177.980 176.600 -0.411 0.000 1.050 217 K CA 1.594 57.644 56.287 -0.395 0.000 0.942 217 K CB -0.214 32.053 32.500 -0.388 0.000 0.724 217 K HN 0.834 nan 8.250 nan 0.000 0.446 218 I N -4.878 115.454 120.570 -0.397 0.000 4.181 218 I HA 0.325 4.496 4.170 0.002 0.000 0.331 218 I C 0.150 176.060 176.117 -0.345 0.000 1.312 218 I CA -0.204 60.818 61.300 -0.464 0.000 1.146 218 I CB 1.364 39.050 38.000 -0.522 0.000 1.074 218 I HN -0.001 nan 8.210 nan 0.000 0.402 219 G N 1.635 110.324 108.800 -0.185 0.000 2.897 219 G HA2 0.238 4.200 3.960 0.002 0.000 0.392 219 G HA3 0.238 4.200 3.960 0.002 0.000 0.392 219 G C 0.012 174.999 174.900 0.146 0.000 1.263 219 G CA -0.248 44.838 45.100 -0.024 0.000 1.185 219 G HN 0.354 nan 8.290 nan 0.000 0.573 220 A N 1.276 124.124 122.820 0.047 0.000 2.044 220 A HA 0.609 4.930 4.320 0.002 0.000 0.213 220 A C 1.306 178.917 177.584 0.044 0.000 1.169 220 A CA 1.856 53.937 52.037 0.073 0.000 0.724 220 A CB 0.392 19.404 19.000 0.019 0.000 0.840 220 A HN 1.143 nan 8.150 nan 0.000 0.463 221 T N 0.054 114.604 114.554 -0.007 0.000 2.848 221 T HA 0.570 4.921 4.350 0.002 0.000 0.285 221 T C -1.040 173.590 174.700 -0.117 0.000 0.995 221 T CA -0.342 61.733 62.100 -0.043 0.000 0.970 221 T CB 1.858 70.710 68.868 -0.027 0.000 0.976 221 T HN -0.034 nan 8.240 nan 0.000 0.441 222 V N 3.651 123.459 119.914 -0.176 0.000 2.588 222 V HA 0.605 4.726 4.120 0.002 0.000 0.304 222 V C -0.324 175.657 176.094 -0.188 0.000 1.042 222 V CA -0.871 61.256 62.300 -0.289 0.000 0.877 222 V CB 2.015 33.446 31.823 -0.653 0.000 0.996 222 V HN 0.746 nan 8.190 nan 0.000 0.425 223 K N 4.666 124.969 120.400 -0.162 0.000 2.482 223 K HA 0.641 4.962 4.320 0.002 0.000 0.257 223 K C -2.773 173.767 176.600 -0.100 0.000 0.969 223 K CA -1.773 54.451 56.287 -0.105 0.000 0.842 223 K CB 3.112 35.568 32.500 -0.074 0.000 1.359 223 K HN 0.388 nan 8.250 nan 0.000 0.441 227 A N 1.639 124.457 122.820 -0.005 0.000 2.425 227 A HA 0.674 4.995 4.320 0.002 0.000 0.249 227 A C -2.328 175.256 177.584 0.000 0.000 1.084 227 A CA -0.844 51.190 52.037 -0.006 0.000 0.781 227 A CB 0.134 19.121 19.000 -0.021 0.000 1.019 227 A HN 0.099 nan 8.150 nan 0.000 0.490 228 P HA 0.429 nan 4.420 nan 0.000 0.285 228 P C -0.821 176.461 177.300 -0.030 0.000 1.259 228 P CA -0.081 63.020 63.100 0.002 0.000 0.794 228 P CB 0.737 32.441 31.700 0.008 0.000 0.940 229 L N 2.059 123.264 121.223 -0.029 0.000 2.344 229 L HA 0.552 4.893 4.340 0.002 0.000 0.272 229 L C 1.630 178.430 176.870 -0.117 0.000 1.035 229 L CA -0.090 54.712 54.840 -0.063 0.000 0.807 229 L CB 0.772 42.808 42.059 -0.038 0.000 1.237 229 L HN 0.670 nan 8.230 nan 0.000 0.442 230 G N 1.114 109.808 108.800 -0.177 0.000 2.661 230 G HA2 -0.370 3.592 3.960 0.002 0.000 0.327 230 G HA3 -0.370 3.592 3.960 0.002 0.000 0.327 230 G C 0.103 174.667 174.900 -0.560 0.000 1.320 230 G CA 0.563 45.492 45.100 -0.284 0.000 0.997 230 G HN 0.834 nan 8.290 nan 0.000 0.543 231 H N 1.127 120.190 119.070 -0.011 0.000 2.534 231 H HA 0.524 5.081 4.556 0.002 0.000 0.250 231 H C 0.988 176.316 175.328 0.000 0.000 1.256 231 H CA 0.798 56.844 56.048 -0.004 0.000 1.000 231 H CB 0.190 29.947 29.762 -0.007 0.000 1.801 231 H HN 1.692 nan 8.280 nan 0.000 0.569 232 G N 0.265 109.091 108.800 0.044 0.000 2.681 232 G HA2 -0.267 3.694 3.960 0.002 0.000 0.220 232 G HA3 -0.267 3.694 3.960 0.002 0.000 0.220 232 G C -0.410 174.513 174.900 0.039 0.000 1.353 232 G CA -0.833 44.298 45.100 0.051 0.000 0.872 232 G HN 0.313 nan 8.290 nan 0.000 0.557 233 L N 1.204 122.459 121.223 0.054 0.000 2.525 233 L HA 0.293 4.635 4.340 0.002 0.000 0.278 233 L C 1.827 178.705 176.870 0.014 0.000 1.218 233 L CA 0.461 55.329 54.840 0.046 0.000 0.878 233 L CB 0.482 42.584 42.059 0.072 0.000 1.127 233 L HN 1.032 nan 8.230 nan 0.000 0.492 234 S N 2.106 117.791 115.700 -0.025 0.000 2.584 234 S HA -0.025 4.446 4.470 0.002 0.000 0.270 234 S C 0.747 175.336 174.600 -0.018 0.000 1.346 234 S CA -0.369 57.805 58.200 -0.044 0.000 1.018 234 S CB 1.257 64.388 63.200 -0.115 0.000 0.899 234 S HN 0.736 nan 8.310 nan 0.000 0.542 235 Q N 0.765 120.553 119.800 -0.020 0.000 2.135 235 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 235 Q C 2.443 178.441 176.000 -0.004 0.000 0.981 235 Q CA 1.726 57.524 55.803 -0.009 0.000 0.856 235 Q CB -0.116 28.614 28.738 -0.013 0.000 0.902 235 Q HN 0.827 nan 8.270 nan 0.000 0.425 236 R N -0.637 119.852 120.500 -0.019 0.000 2.066 236 R HA -0.104 4.238 4.340 0.002 0.000 0.232 236 R C 2.054 178.380 176.300 0.044 0.000 1.131 236 R CA 1.244 57.342 56.100 -0.004 0.000 0.955 236 R CB -0.295 29.981 30.300 -0.041 0.000 0.851 236 R HN 0.295 nan 8.270 nan 0.000 0.432 237 A N 0.749 123.599 122.820 0.050 0.000 1.930 237 A HA -0.030 4.291 4.320 0.002 0.000 0.217 237 A C 2.326 179.987 177.584 0.128 0.000 1.175 237 A CA 1.470 53.614 52.037 0.178 0.000 0.627 237 A CB -0.611 18.503 19.000 0.191 0.000 0.815 237 A HN 0.536 nan 8.150 nan 0.000 0.443 238 A N -0.835 122.027 122.820 0.071 0.000 1.902 238 A HA -0.104 4.218 4.320 0.002 0.000 0.217 238 A C 2.471 180.074 177.584 0.031 0.000 1.181 238 A CA 2.113 54.179 52.037 0.048 0.000 0.623 238 A CB -0.971 18.047 19.000 0.031 0.000 0.818 238 A HN 0.508 nan 8.150 nan 0.000 0.443 239 S N -0.382 115.335 115.700 0.030 0.000 2.356 239 S HA -0.116 4.356 4.470 0.002 0.000 0.223 239 S C 1.061 175.674 174.600 0.021 0.000 1.032 239 S CA 1.059 59.271 58.200 0.020 0.000 1.005 239 S CB -0.383 62.829 63.200 0.019 0.000 0.867 239 S HN 0.688 nan 8.310 nan 0.000 0.449 243 L N 0.117 121.334 121.223 -0.011 0.000 2.267 243 L HA 0.670 5.012 4.340 0.002 0.000 0.264 243 L C -0.100 176.770 176.870 -0.000 0.000 1.021 243 L CA -1.578 53.257 54.840 -0.008 0.000 0.861 243 L CB 1.402 43.462 42.059 0.002 0.000 1.443 243 L HN -0.145 nan 8.230 nan 0.000 0.475 244 I N 1.503 122.073 120.570 -0.000 0.000 2.342 244 I HA 0.285 4.456 4.170 0.002 0.000 0.291 244 I C -2.150 173.974 176.117 0.012 0.000 1.010 244 I CA -2.632 58.669 61.300 0.002 0.000 1.308 244 I CB 0.468 38.466 38.000 -0.004 0.000 1.400 244 I HN 0.140 nan 8.210 nan 0.000 0.488 245 P HA 0.158 nan 4.420 nan 0.000 0.265 245 P C 0.905 178.218 177.300 0.022 0.000 1.187 245 P CA 0.670 63.781 63.100 0.017 0.000 0.766 245 P CB 0.618 32.323 31.700 0.008 0.000 0.820 246 G N 1.273 110.093 108.800 0.034 0.000 2.225 246 G HA2 -0.241 3.720 3.960 0.002 0.000 0.254 246 G HA3 -0.241 3.720 3.960 0.002 0.000 0.254 246 G C 0.338 175.267 174.900 0.048 0.000 0.988 246 G CA 0.178 45.306 45.100 0.046 0.000 0.625 246 G HN 0.626 nan 8.290 nan 0.000 0.527 247 T N 2.119 116.697 114.554 0.041 0.000 2.905 247 T HA 0.416 4.767 4.350 0.002 0.000 0.299 247 T C 1.004 175.744 174.700 0.066 0.000 1.024 247 T CA 0.616 62.743 62.100 0.044 0.000 1.151 247 T CB 1.073 69.963 68.868 0.037 0.000 0.987 247 T HN 1.507 nan 8.240 nan 0.000 0.535 248 A N 3.604 126.467 122.820 0.073 0.000 2.477 248 A HA 0.466 4.787 4.320 0.002 0.000 0.246 248 A C 0.043 177.692 177.584 0.108 0.000 1.078 248 A CA -0.441 51.647 52.037 0.085 0.000 0.770 248 A CB 0.210 19.267 19.000 0.093 0.000 1.011 248 A HN 0.694 nan 8.150 nan 0.000 0.494 249 V N 2.654 122.633 119.914 0.107 0.000 2.531 249 V HA 0.410 4.531 4.120 0.002 0.000 0.301 249 V C 0.579 176.745 176.094 0.119 0.000 1.034 249 V CA -0.481 61.913 62.300 0.157 0.000 0.865 249 V CB 1.613 33.552 31.823 0.193 0.000 0.995 249 V HN 1.042 nan 8.190 nan 0.000 0.424 250 S N 3.564 119.341 115.700 0.129 0.000 2.592 250 S HA 0.424 4.896 4.470 0.002 0.000 0.271 250 S C 0.220 174.871 174.600 0.085 0.000 1.326 250 S CA -0.390 57.861 58.200 0.085 0.000 1.024 250 S CB 1.233 64.473 63.200 0.067 0.000 0.921 250 S HN 0.532 nan 8.310 nan 0.000 0.527 251 V N 4.296 124.231 119.914 0.035 0.000 2.975 251 V HA 0.035 4.156 4.120 0.002 0.000 0.300 251 V C 1.070 177.188 176.094 0.039 0.000 1.186 251 V CA 0.691 62.999 62.300 0.013 0.000 1.311 251 V CB 0.182 31.992 31.823 -0.022 0.000 0.917 251 V HN 1.059 nan 8.190 nan 0.000 0.512 252 S N 5.332 121.053 115.700 0.034 0.000 2.634 252 S HA 0.698 5.170 4.470 0.002 0.000 0.261 252 S C -0.423 174.193 174.600 0.027 0.000 1.271 252 S CA -0.490 57.751 58.200 0.069 0.000 0.985 252 S CB 1.395 64.632 63.200 0.061 0.000 0.968 252 S HN 0.705 nan 8.310 nan 0.000 0.568 253 I N -0.236 120.360 120.570 0.042 0.000 2.918 253 I HA 0.461 4.632 4.170 0.002 0.000 0.301 253 I C -1.245 174.878 176.117 0.011 0.000 1.312 253 I CA -1.339 59.957 61.300 -0.006 0.000 1.007 253 I CB 1.882 39.883 38.000 0.003 0.000 1.281 253 I HN 0.745 nan 8.210 nan 0.000 0.440 254 I N 4.285 124.817 120.570 -0.064 0.000 2.720 254 I HA 0.057 4.228 4.170 0.002 0.000 0.287 254 I C 0.850 177.044 176.117 0.129 0.000 1.090 254 I CA -0.103 61.203 61.300 0.011 0.000 1.384 254 I CB 0.793 38.724 38.000 -0.115 0.000 1.420 254 I HN 0.693 nan 8.210 nan 0.000 0.575 255 D N 4.397 124.861 120.400 0.107 0.000 2.092 255 D HA -0.245 4.396 4.640 0.002 0.000 0.193 255 D C 1.850 178.191 176.300 0.068 0.000 0.994 255 D CA 1.795 55.837 54.000 0.070 0.000 0.828 255 D CB -0.516 40.296 40.800 0.021 0.000 0.963 255 D HN 0.580 nan 8.370 nan 0.000 0.450 256 A N 0.529 123.397 122.820 0.081 0.000 1.940 256 A HA -0.221 4.101 4.320 0.002 0.000 0.219 256 A C 2.010 179.545 177.584 -0.082 0.000 1.176 256 A CA 1.923 53.937 52.037 -0.038 0.000 0.631 256 A CB -1.126 17.806 19.000 -0.113 0.000 0.814 256 A HN 0.418 nan 8.150 nan 0.000 0.446 257 H N -0.171 118.884 119.070 -0.024 0.000 2.423 257 H HA 0.169 4.726 4.556 0.002 0.000 0.297 257 H C 2.323 177.618 175.328 -0.054 0.000 1.075 257 H CA 1.122 57.150 56.048 -0.034 0.000 1.342 257 H CB -0.421 29.328 29.762 -0.022 0.000 1.395 257 H HN 0.511 nan 8.280 nan 0.000 0.530 258 A N 0.671 123.541 122.820 0.083 0.000 1.902 258 A HA -0.082 4.239 4.320 0.002 0.000 0.217 258 A C 2.726 180.286 177.584 -0.041 0.000 1.181 258 A CA 1.523 53.565 52.037 0.007 0.000 0.623 258 A CB -1.208 17.799 19.000 0.012 0.000 0.818 258 A HN 0.504 nan 8.150 nan 0.000 0.443 259 G N -1.144 107.629 108.800 -0.046 0.000 2.422 259 G HA2 -0.144 3.817 3.960 0.002 0.000 0.218 259 G HA3 -0.144 3.817 3.960 0.002 0.000 0.218 259 G C 1.545 176.386 174.900 -0.098 0.000 1.146 259 G CA 1.634 46.689 45.100 -0.076 0.000 0.769 259 G HN 0.430 nan 8.290 nan 0.000 0.547 260 T N 1.388 115.878 114.554 -0.107 0.000 2.708 260 T HA -0.059 4.292 4.350 0.002 0.000 0.266 260 T C 2.378 177.001 174.700 -0.128 0.000 1.037 260 T CA 0.994 63.013 62.100 -0.135 0.000 1.146 260 T CB -0.170 68.603 68.868 -0.157 0.000 0.865 260 T HN 0.257 nan 8.240 nan 0.000 0.435 261 I N 1.155 121.661 120.570 -0.107 0.000 2.208 261 I HA -0.127 4.044 4.170 0.002 0.000 0.245 261 I C 2.819 178.860 176.117 -0.126 0.000 1.097 261 I CA 1.337 62.569 61.300 -0.113 0.000 1.363 261 I CB -0.654 37.286 38.000 -0.099 0.000 1.051 261 I HN 0.318 nan 8.210 nan 0.000 0.413 262 G N 0.891 109.615 108.800 -0.126 0.000 2.509 262 G HA2 -0.097 3.864 3.960 0.002 0.000 0.218 262 G HA3 -0.097 3.864 3.960 0.002 0.000 0.218 262 G C 1.506 176.336 174.900 -0.117 0.000 1.124 262 G CA 0.944 45.959 45.100 -0.142 0.000 0.776 262 G HN 0.644 nan 8.290 nan 0.000 0.547 263 I N -4.329 116.181 120.570 -0.100 0.000 4.706 263 I HA 0.392 4.563 4.170 0.002 0.000 0.321 263 I C 1.882 177.962 176.117 -0.062 0.000 1.249 263 I CA -0.221 61.031 61.300 -0.080 0.000 1.321 263 I CB 0.049 38.003 38.000 -0.076 0.000 1.342 263 I HN -0.080 nan 8.210 nan 0.000 0.463 264 L N 2.715 123.895 121.223 -0.072 0.000 2.362 264 L HA 0.247 4.589 4.340 0.002 0.000 0.219 264 L C 1.951 178.857 176.870 0.060 0.000 1.134 264 L CA 2.082 56.897 54.840 -0.041 0.000 0.807 264 L CB -0.616 41.356 42.059 -0.146 0.000 0.927 264 L HN 0.389 nan 8.230 nan 0.000 0.447 265 G N -1.288 107.525 108.800 0.021 0.000 3.088 265 G HA2 0.271 4.232 3.960 0.002 0.000 0.217 265 G HA3 0.271 4.232 3.960 0.002 0.000 0.217 265 G C 0.653 175.551 174.900 -0.004 0.000 1.159 265 G CA 0.260 45.390 45.100 0.051 0.000 0.760 265 G HN 0.539 nan 8.290 nan 0.000 0.550 266 A N 0.730 123.539 122.820 -0.019 0.000 2.546 266 A HA 0.496 4.817 4.320 0.002 0.000 0.243 266 A C 0.937 178.507 177.584 -0.024 0.000 1.063 266 A CA 0.044 52.062 52.037 -0.032 0.000 0.757 266 A CB 0.189 19.171 19.000 -0.030 0.000 0.991 266 A HN 0.240 nan 8.150 nan 0.000 0.503 267 S N 1.156 116.836 115.700 -0.033 0.000 2.576 267 S HA 0.400 4.871 4.470 0.002 0.000 0.272 267 S C 1.110 175.696 174.600 -0.022 0.000 1.352 267 S CA 0.153 58.334 58.200 -0.031 0.000 1.021 267 S CB 0.751 63.931 63.200 -0.032 0.000 0.887 267 S HN 1.141 nan 8.310 nan 0.000 0.542 268 G N 0.003 108.791 108.800 -0.021 0.000 2.616 268 G HA2 0.311 4.272 3.960 0.002 0.000 0.268 268 G HA3 0.311 4.272 3.960 0.002 0.000 0.268 268 G C 1.117 176.009 174.900 -0.013 0.000 1.213 268 G CA -0.357 44.734 45.100 -0.015 0.000 0.926 268 G HN 0.781 nan 8.290 nan 0.000 0.523 269 V N -2.064 117.844 119.914 -0.010 0.000 3.383 269 V HA 0.050 4.171 4.120 0.002 0.000 0.272 269 V C 1.753 177.842 176.094 -0.007 0.000 1.181 269 V CA 1.726 64.021 62.300 -0.008 0.000 1.171 269 V CB -1.042 30.777 31.823 -0.006 0.000 0.800 269 V HN 0.830 nan 8.190 nan 0.000 0.515 270 T N -3.958 110.590 114.554 -0.009 0.000 3.200 270 T HA 0.590 4.941 4.350 0.002 0.000 0.284 270 T C 1.314 176.008 174.700 -0.010 0.000 1.009 270 T CA 0.691 62.786 62.100 -0.008 0.000 0.907 270 T CB 0.484 69.348 68.868 -0.007 0.000 1.120 270 T HN 1.328 nan 8.240 nan 0.000 0.534 271 G N 1.039 109.831 108.800 -0.013 0.000 2.213 271 G HA2 -0.222 3.740 3.960 0.002 0.000 0.226 271 G HA3 -0.222 3.740 3.960 0.002 0.000 0.226 271 G C -0.112 174.775 174.900 -0.021 0.000 0.992 271 G CA -0.030 45.061 45.100 -0.015 0.000 0.632 271 G HN 0.735 nan 8.290 nan 0.000 0.511 272 E N 1.352 121.538 120.200 -0.023 0.000 2.398 272 E HA 0.429 4.780 4.350 0.002 0.000 0.263 272 E C 0.600 177.174 176.600 -0.043 0.000 1.046 272 E CA -0.406 55.975 56.400 -0.030 0.000 0.908 272 E CB 0.250 29.934 29.700 -0.027 0.000 0.963 272 E HN 0.292 nan 8.360 nan 0.000 0.431 273 N N 1.732 120.396 118.700 -0.059 0.000 2.458 273 N HA 0.103 4.844 4.740 0.002 0.000 0.258 273 N C -0.848 174.596 175.510 -0.110 0.000 1.219 273 N CA 0.291 53.287 53.050 -0.090 0.000 0.902 273 N CB 0.580 38.999 38.487 -0.114 0.000 1.076 273 N HN 0.578 nan 8.380 nan 0.000 0.455 274 A N 2.167 124.918 122.820 -0.115 0.000 2.609 274 A HA -0.078 4.243 4.320 0.002 0.000 0.232 274 A C 0.579 178.008 177.584 -0.258 0.000 1.041 274 A CA 0.288 52.259 52.037 -0.110 0.000 0.753 274 A CB -0.213 18.782 19.000 -0.009 0.000 0.966 274 A HN 0.695 nan 8.150 nan 0.000 0.510 275 N N 2.048 120.673 118.700 -0.125 0.000 2.564 275 N HA 0.363 5.105 4.740 0.002 0.000 0.248 275 N C -0.308 175.254 175.510 0.087 0.000 0.986 275 N CA -0.760 52.224 53.050 -0.109 0.000 0.921 275 N CB 0.178 38.649 38.487 -0.027 0.000 1.136 275 N HN 0.345 nan 8.380 nan 0.000 0.509 276 F N 0.880 120.876 119.950 0.077 0.000 2.604 276 F HA 0.023 4.551 4.527 0.002 0.000 0.298 276 F C 1.905 177.826 175.800 0.202 0.000 1.131 276 F CA 0.145 58.212 58.000 0.110 0.000 1.457 276 F CB -0.472 38.602 39.000 0.123 0.000 1.095 276 F HN 0.499 nan 8.300 nan 0.000 0.574 277 D N 0.254 120.845 120.400 0.318 0.000 2.224 277 D HA -0.100 4.541 4.640 0.002 0.000 0.205 277 D C 1.897 178.341 176.300 0.241 0.000 0.965 277 D CA 1.111 55.272 54.000 0.268 0.000 0.852 277 D CB 0.161 41.041 40.800 0.132 0.000 0.947 277 D HN 0.198 nan 8.370 nan 0.000 0.494 278 R N -1.196 119.408 120.500 0.174 0.000 2.446 278 R HA 0.307 4.649 4.340 0.002 0.000 0.254 278 R C 0.405 176.756 176.300 0.085 0.000 0.918 278 R CA -0.290 55.876 56.100 0.109 0.000 1.069 278 R CB 1.100 31.441 30.300 0.068 0.000 1.194 278 R HN -0.132 nan 8.270 nan 0.000 0.534 279 R N 1.384 121.952 120.500 0.113 0.000 2.476 279 R HA 0.422 4.763 4.340 0.002 0.000 0.305 279 R C -1.407 174.913 176.300 0.033 0.000 0.965 279 R CA -0.447 55.699 56.100 0.076 0.000 0.867 279 R CB 1.429 31.801 30.300 0.120 0.000 1.176 279 R HN -0.007 nan 8.270 nan 0.000 0.447 280 I N 2.464 123.013 120.570 -0.034 0.000 2.607 280 I HA 0.512 4.684 4.170 0.002 0.000 0.305 280 I C -0.544 175.512 176.117 -0.101 0.000 0.995 280 I CA -0.690 60.553 61.300 -0.095 0.000 1.148 280 I CB 1.896 39.830 38.000 -0.110 0.000 1.323 280 I HN 0.778 nan 8.210 nan 0.000 0.461 281 A N 6.955 129.692 122.820 -0.138 0.000 2.289 281 A HA 0.517 4.839 4.320 0.002 0.000 0.298 281 A C -1.009 176.465 177.584 -0.183 0.000 1.208 281 A CA -0.388 51.561 52.037 -0.147 0.000 0.845 281 A CB 0.733 19.636 19.000 -0.163 0.000 1.125 281 A HN 0.589 nan 8.150 nan 0.000 0.517 282 L N 4.973 126.078 121.223 -0.197 0.000 2.313 282 L HA 0.426 4.767 4.340 0.002 0.000 0.273 282 L C -0.973 175.759 176.870 -0.231 0.000 1.028 282 L CA -0.259 54.405 54.840 -0.294 0.000 0.871 282 L CB 0.695 42.593 42.059 -0.269 0.000 1.242 282 L HN 0.547 nan 8.230 nan 0.000 0.434 283 I N 4.924 125.358 120.570 -0.226 0.000 2.269 283 I HA 0.351 4.522 4.170 0.002 0.000 0.293 283 I C 1.078 177.108 176.117 -0.146 0.000 1.106 283 I CA -0.086 61.116 61.300 -0.163 0.000 1.248 283 I CB 0.171 38.081 38.000 -0.150 0.000 1.444 283 I HN 0.616 nan 8.210 nan 0.000 0.497 284 G N 3.386 112.106 108.800 -0.133 0.000 2.557 284 G HA2 0.729 4.690 3.960 0.002 0.000 0.292 284 G HA3 0.729 4.690 3.960 0.002 0.000 0.292 284 G C 0.158 174.996 174.900 -0.103 0.000 1.237 284 G CA 0.195 45.226 45.100 -0.115 0.000 0.978 284 G HN 0.868 nan 8.290 nan 0.000 0.498 285 G N -1.796 106.950 108.800 -0.091 0.000 2.347 285 G HA2 0.200 4.162 3.960 0.002 0.000 0.224 285 G HA3 0.200 4.162 3.960 0.002 0.000 0.224 285 G C 0.929 175.816 174.900 -0.022 0.000 1.318 285 G CA 0.693 45.753 45.100 -0.066 0.000 1.016 285 G HN 0.791 nan 8.290 nan 0.000 0.469 286 T N 0.823 115.388 114.554 0.017 0.000 2.665 286 T HA 0.066 4.417 4.350 0.002 0.000 0.268 286 T C 1.571 176.336 174.700 0.107 0.000 1.035 286 T CA 2.479 64.629 62.100 0.083 0.000 1.151 286 T CB -0.616 68.346 68.868 0.156 0.000 0.862 286 T HN 1.505 nan 8.240 nan 0.000 0.438 287 S N -0.271 115.467 115.700 0.062 0.000 2.715 287 S HA 0.682 5.153 4.470 0.002 0.000 0.307 287 S C -0.771 173.833 174.600 0.007 0.000 1.119 287 S CA -0.897 57.339 58.200 0.061 0.000 0.937 287 S CB 2.324 65.528 63.200 0.007 0.000 1.150 287 S HN 0.096 nan 8.310 nan 0.000 0.521 288 T N 0.970 115.551 114.554 0.044 0.000 2.886 288 T HA 0.790 5.141 4.350 0.002 0.000 0.292 288 T C -0.548 174.170 174.700 0.029 0.000 1.012 288 T CA -0.450 61.651 62.100 -0.000 0.000 0.982 288 T CB 1.475 70.356 68.868 0.021 0.000 1.018 288 T HN 1.068 nan 8.240 nan 0.000 0.451 289 A N 2.610 125.390 122.820 -0.066 0.000 2.320 289 A HA 0.852 5.173 4.320 0.002 0.000 0.334 289 A C -0.968 176.551 177.584 -0.108 0.000 1.147 289 A CA -0.486 51.546 52.037 -0.008 0.000 0.820 289 A CB 0.614 19.563 19.000 -0.085 0.000 1.218 289 A HN 0.931 nan 8.150 nan 0.000 0.482 295 R N 1.005 121.656 120.500 0.250 0.000 2.237 295 R HA 0.123 4.465 4.340 0.002 0.000 0.219 295 R C 0.369 176.823 176.300 0.257 0.000 1.080 295 R CA 0.601 56.755 56.100 0.089 0.000 0.995 295 R CB -0.349 29.943 30.300 -0.013 0.000 0.875 295 R HN 0.480 nan 8.270 nan 0.000 0.462 296 S N -0.274 115.487 115.700 0.101 0.000 2.621 296 S HA 0.586 5.057 4.470 0.002 0.000 0.302 296 S C -0.563 173.554 174.600 -0.804 0.000 1.093 296 S CA -0.766 57.280 58.200 -0.256 0.000 1.017 296 S CB 2.200 65.194 63.200 -0.343 0.000 1.077 296 S HN 0.270 nan 8.310 nan 0.000 0.517 297 A N 2.480 124.546 122.820 -1.256 0.000 2.320 297 A HA 0.550 4.871 4.320 0.002 0.000 0.287 297 A C -0.651 176.212 177.584 -1.202 0.000 1.181 297 A CA -0.418 50.644 52.037 -1.625 0.000 0.831 297 A CB 0.055 17.902 19.000 -1.921 0.000 1.102 297 A HN 0.834 nan 8.150 nan 0.000 0.513 298 H N 2.274 120.990 119.070 -0.590 0.000 2.589 298 H HA 0.343 4.900 4.556 0.002 0.000 0.335 298 H C -1.406 173.663 175.328 -0.430 0.000 1.019 298 H CA -0.414 55.425 56.048 -0.347 0.000 1.213 298 H CB 1.051 30.726 29.762 -0.147 0.000 1.472 298 H HN 0.564 nan 8.280 nan 0.000 0.508 299 F N 3.445 123.360 119.950 -0.058 0.000 2.411 299 F HA 0.353 4.882 4.527 0.002 0.000 0.355 299 F C 0.666 176.449 175.800 -0.029 0.000 1.117 299 F CA -0.365 57.586 58.000 -0.083 0.000 1.139 299 F CB 0.837 39.740 39.000 -0.160 0.000 1.120 299 F HN 0.274 nan 8.300 nan 0.000 0.493 300 I N 2.365 123.002 120.570 0.112 0.000 2.468 300 I HA 0.158 4.330 4.170 0.002 0.000 0.285 300 I C -0.134 176.006 176.117 0.037 0.000 1.039 300 I CA -0.778 60.560 61.300 0.063 0.000 1.074 300 I CB 1.923 39.945 38.000 0.036 0.000 1.228 300 I HN 0.467 nan 8.210 nan 0.000 0.436 301 S N 4.531 120.245 115.700 0.023 0.000 2.525 301 S HA 0.325 4.796 4.470 0.002 0.000 0.285 301 S C 1.187 175.768 174.600 -0.030 0.000 1.283 301 S CA 1.004 59.208 58.200 0.007 0.000 1.072 301 S CB 0.152 63.354 63.200 0.002 0.000 0.867 301 S HN 1.145 nan 8.310 nan 0.000 0.492 302 G N 3.939 112.723 108.800 -0.026 0.000 2.157 302 G HA2 -0.194 3.768 3.960 0.002 0.000 0.248 302 G HA3 -0.194 3.768 3.960 0.002 0.000 0.248 302 G C 0.001 174.808 174.900 -0.155 0.000 0.979 302 G CA 0.252 45.301 45.100 -0.085 0.000 0.650 302 G HN 0.753 nan 8.290 nan 0.000 0.529 303 I N 0.188 120.702 120.570 -0.094 0.000 2.466 303 I HA 0.373 4.544 4.170 0.002 0.000 0.289 303 I C 0.312 176.447 176.117 0.030 0.000 1.026 303 I CA -1.206 60.019 61.300 -0.126 0.000 1.078 303 I CB 0.968 38.904 38.000 -0.107 0.000 1.249 303 I HN -0.027 nan 8.210 nan 0.000 0.429 304 W N 4.644 125.930 121.300 -0.024 0.000 2.148 304 W HA 0.424 5.085 4.660 0.001 0.000 0.347 304 W C 1.007 177.325 176.519 -0.335 0.000 1.288 304 W CA 0.562 57.870 57.345 -0.061 0.000 1.252 304 W CB -0.307 29.250 29.460 0.162 0.000 1.156 304 W HN 0.793 nan 8.180 nan 0.000 0.580 305 G N 1.997 110.403 108.800 -0.657 0.000 2.660 305 G HA2 -0.160 3.801 3.960 0.002 0.000 0.247 305 G HA3 -0.160 3.801 3.960 0.002 0.000 0.247 305 G C -2.870 171.924 174.900 -0.177 0.000 1.328 305 G CA -1.239 43.382 45.100 -0.798 0.000 0.884 305 G HN 0.352 nan 8.290 nan 0.000 0.531 306 P HA 0.356 nan 4.420 nan 0.000 0.281 306 P C -1.150 176.435 177.300 0.475 0.000 1.252 306 P CA 0.140 63.293 63.100 0.088 0.000 0.778 306 P CB 0.305 31.890 31.700 -0.191 0.000 0.895 307 Y N 2.251 122.872 120.300 0.535 0.000 2.369 307 Y HA 0.228 4.779 4.550 0.002 0.000 0.337 307 Y C 0.615 176.668 175.900 0.256 0.000 0.961 307 Y CA -1.229 57.108 58.100 0.395 0.000 1.186 307 Y CB 1.005 39.633 38.460 0.281 0.000 1.139 307 Y HN 0.350 nan 8.280 nan 0.000 0.494 308 Y N 2.501 122.792 120.300 -0.014 0.000 2.402 308 Y HA 0.077 4.629 4.550 0.002 0.000 0.333 308 Y C 1.063 176.821 175.900 -0.236 0.000 1.076 308 Y CA 0.181 57.937 58.100 -0.574 0.000 1.299 308 Y CB 0.569 38.368 38.460 -1.102 0.000 1.197 308 Y HN 0.816 nan 8.280 nan 0.000 0.517 309 S N 2.112 117.378 115.700 -0.723 0.000 3.521 309 S HA -0.297 4.175 4.470 0.002 0.000 0.328 309 S C 1.080 175.571 174.600 -0.182 0.000 1.165 309 S CA 0.735 58.653 58.200 -0.469 0.000 0.941 309 S CB -1.636 61.266 63.200 -0.497 0.000 0.951 309 S HN 0.949 nan 8.310 nan 0.000 0.539 310 A N -0.400 122.376 122.820 -0.074 0.000 2.067 310 A HA 0.271 4.592 4.320 0.002 0.000 0.217 310 A C 1.629 179.202 177.584 -0.018 0.000 1.156 310 A CA 1.377 53.393 52.037 -0.036 0.000 0.683 310 A CB -0.113 18.907 19.000 0.034 0.000 0.808 310 A HN 0.671 nan 8.150 nan 0.000 0.455 311 I N -2.003 118.567 120.570 -0.001 0.000 3.674 311 I HA 0.202 4.373 4.170 0.002 0.000 0.248 311 I C -0.045 176.043 176.117 -0.049 0.000 1.134 311 I CA -0.028 61.264 61.300 -0.013 0.000 1.519 311 I CB -0.111 37.887 38.000 -0.004 0.000 1.598 311 I HN -0.009 nan 8.210 nan 0.000 0.442 312 L N 2.995 124.187 121.223 -0.051 0.000 2.307 312 L HA 0.385 4.726 4.340 0.002 0.000 0.282 312 L C -2.384 174.486 176.870 -0.001 0.000 1.051 312 L CA -1.816 53.018 54.840 -0.009 0.000 0.804 312 L CB 0.560 42.616 42.059 -0.005 0.000 1.197 312 L HN -0.157 nan 8.230 nan 0.000 0.431 313 P HA -0.008 nan 4.420 nan 0.000 0.264 313 P C -0.098 177.137 177.300 -0.109 0.000 1.183 313 P CA 0.309 63.345 63.100 -0.106 0.000 0.763 313 P CB 0.362 32.034 31.700 -0.047 0.000 0.807 314 E N -1.361 118.605 120.200 -0.391 0.000 3.801 314 E HA -0.251 4.100 4.350 0.002 0.000 0.319 314 E C -0.640 175.730 176.600 -0.383 0.000 0.784 314 E CA 0.829 57.023 56.400 -0.343 0.000 1.183 314 E CB -1.800 27.826 29.700 -0.123 0.000 1.601 314 E HN 0.505 nan 8.360 nan 0.000 0.441 315 Y N -0.648 119.474 120.300 -0.296 0.000 2.409 315 Y HA 0.407 4.959 4.550 0.002 0.000 0.339 315 Y C 0.207 176.031 175.900 -0.128 0.000 1.033 315 Y CA -0.775 57.287 58.100 -0.064 0.000 1.094 315 Y CB 0.832 39.314 38.460 0.037 0.000 1.210 315 Y HN -0.037 nan 8.280 nan 0.000 0.456 316 W N 4.883 126.325 121.300 0.237 0.000 2.315 316 W HA 0.488 5.149 4.660 0.002 0.000 0.316 316 W C -0.797 175.867 176.519 0.241 0.000 1.211 316 W CA -0.541 56.946 57.345 0.235 0.000 1.201 316 W CB 0.829 30.398 29.460 0.182 0.000 1.184 316 W HN 0.234 nan 8.180 nan 0.000 0.544 317 L N 4.905 126.404 121.223 0.460 0.000 2.295 317 L HA 0.480 4.821 4.340 0.002 0.000 0.285 317 L C -0.637 176.423 176.870 0.316 0.000 1.035 317 L CA -0.331 54.718 54.840 0.348 0.000 0.806 317 L CB 0.626 42.891 42.059 0.342 0.000 1.214 317 L HN 0.322 nan 8.230 nan 0.000 0.426 318 N N 4.337 123.169 118.700 0.221 0.000 2.444 318 N HA 0.222 4.963 4.740 0.002 0.000 0.262 318 N C -1.261 174.300 175.510 0.085 0.000 0.974 318 N CA -0.238 52.888 53.050 0.127 0.000 0.933 318 N CB 1.715 40.278 38.487 0.125 0.000 1.137 318 N HN 0.669 nan 8.380 nan 0.000 0.498 319 E N 1.781 122.068 120.200 0.145 0.000 2.101 319 E HA 0.401 4.752 4.350 0.002 0.000 0.260 319 E C -0.201 176.437 176.600 0.064 0.000 0.897 319 E CA -0.790 55.716 56.400 0.177 0.000 0.744 319 E CB 0.664 30.628 29.700 0.439 0.000 1.140 319 E HN 0.616 nan 8.360 nan 0.000 0.419 320 G N 2.110 110.883 108.800 -0.045 0.000 2.547 320 G HA2 0.700 4.661 3.960 0.002 0.000 0.291 320 G HA3 0.700 4.661 3.960 0.002 0.000 0.291 320 G C -0.223 174.589 174.900 -0.148 0.000 1.211 320 G CA -0.069 44.911 45.100 -0.199 0.000 0.950 320 G HN 0.591 nan 8.290 nan 0.000 0.504 321 G N -1.496 107.136 108.800 -0.280 0.000 2.601 321 G HA2 0.541 4.502 3.960 0.002 0.000 0.291 321 G HA3 0.541 4.502 3.960 0.002 0.000 0.291 321 G C -1.561 173.269 174.900 -0.117 0.000 1.456 321 G CA -0.720 44.334 45.100 -0.077 0.000 0.804 321 G HN 0.614 nan 8.290 nan 0.000 0.499 322 Q N 0.241 120.091 119.800 0.083 0.000 2.330 322 Q HA 0.478 4.819 4.340 0.002 0.000 0.269 322 Q C 0.512 176.615 176.000 0.171 0.000 1.022 322 Q CA -0.786 55.090 55.803 0.122 0.000 0.796 322 Q CB 2.218 31.082 28.738 0.210 0.000 1.271 322 Q HN 0.420 nan 8.270 nan 0.000 0.450 323 S N 1.066 116.900 115.700 0.224 0.000 2.428 323 S HA 0.034 4.505 4.470 0.002 0.000 0.230 323 S C 0.358 175.161 174.600 0.338 0.000 1.014 323 S CA 0.779 59.196 58.200 0.362 0.000 0.957 323 S CB 0.279 63.772 63.200 0.489 0.000 0.784 323 S HN 0.652 nan 8.310 nan 0.000 0.499 324 A N 0.833 123.803 122.820 0.249 0.000 2.375 324 A HA 0.601 4.922 4.320 0.002 0.000 0.291 324 A C 0.579 178.251 177.584 0.148 0.000 1.160 324 A CA -0.359 51.783 52.037 0.175 0.000 0.747 324 A CB 0.994 20.067 19.000 0.121 0.000 1.170 324 A HN 0.271 nan 8.150 nan 0.000 0.458 325 T N -0.546 114.090 114.554 0.136 0.000 3.429 325 T HA 0.276 4.627 4.350 0.002 0.000 0.212 325 T C 1.946 176.718 174.700 0.120 0.000 0.980 325 T CA 1.110 63.302 62.100 0.153 0.000 1.201 325 T CB -0.825 68.153 68.868 0.182 0.000 1.289 325 T HN 0.985 nan 8.240 nan 0.000 0.346 326 G N 1.575 110.418 108.800 0.071 0.000 2.469 326 G HA2 -0.006 3.955 3.960 0.002 0.000 0.220 326 G HA3 -0.006 3.955 3.960 0.002 0.000 0.220 326 G C 1.835 176.774 174.900 0.066 0.000 1.136 326 G CA 1.317 46.436 45.100 0.033 0.000 0.759 326 G HN 0.872 nan 8.290 nan 0.000 0.562 327 A N 0.087 122.951 122.820 0.072 0.000 1.972 327 A HA 0.108 4.429 4.320 0.002 0.000 0.219 327 A C 2.327 179.943 177.584 0.055 0.000 1.169 327 A CA 1.649 53.725 52.037 0.065 0.000 0.635 327 A CB -0.308 18.727 19.000 0.058 0.000 0.810 327 A HN 0.447 nan 8.150 nan 0.000 0.446 328 L N -0.318 120.923 121.223 0.030 0.000 2.095 328 L HA 0.038 4.379 4.340 0.002 0.000 0.204 328 L C 2.168 179.057 176.870 0.032 0.000 1.080 328 L CA 1.467 56.278 54.840 -0.049 0.000 0.759 328 L CB -0.418 41.561 42.059 -0.133 0.000 0.914 328 L HN 0.395 nan 8.230 nan 0.000 0.439 329 I N -0.120 120.508 120.570 0.097 0.000 2.208 329 I HA -0.297 3.874 4.170 0.002 0.000 0.245 329 I C 1.908 178.131 176.117 0.176 0.000 1.097 329 I CA 1.461 62.868 61.300 0.179 0.000 1.363 329 I CB -0.457 37.688 38.000 0.242 0.000 1.051 329 I HN 0.285 nan 8.210 nan 0.000 0.413 330 D N -0.664 119.822 120.400 0.143 0.000 2.178 330 D HA -0.212 4.429 4.640 0.002 0.000 0.202 330 D C 1.931 178.246 176.300 0.025 0.000 0.974 330 D CA 1.217 55.268 54.000 0.084 0.000 0.841 330 D CB -0.329 40.522 40.800 0.085 0.000 0.953 330 D HN 0.454 nan 8.370 nan 0.000 0.478 331 H N 0.614 119.668 119.070 -0.027 0.000 2.321 331 H HA -0.074 4.484 4.556 0.004 0.000 0.300 331 H C 1.969 177.287 175.328 -0.017 0.000 1.087 331 H CA 1.350 57.380 56.048 -0.030 0.000 1.319 331 H CB -0.108 29.639 29.762 -0.025 0.000 1.379 331 H HN -0.044 nan 8.280 nan 0.000 0.501 332 I N 0.403 120.969 120.570 -0.007 0.000 2.226 332 I HA -0.218 3.953 4.170 0.002 0.000 0.245 332 I C 2.495 178.602 176.117 -0.015 0.000 1.100 332 I CA 1.155 62.451 61.300 -0.008 0.000 1.374 332 I CB -0.940 37.114 38.000 0.090 0.000 1.057 332 I HN 0.405 nan 8.210 nan 0.000 0.413 333 I N 0.322 120.876 120.570 -0.027 0.000 2.163 333 I HA -0.312 3.859 4.170 0.002 0.000 0.240 333 I C 2.529 178.458 176.117 -0.313 0.000 1.081 333 I CA 1.377 62.607 61.300 -0.117 0.000 1.353 333 I CB -0.321 37.592 38.000 -0.146 0.000 1.054 333 I HN 0.255 nan 8.210 nan 0.000 0.407 334 Q N 0.079 119.587 119.800 -0.487 0.000 2.297 334 Q HA -0.112 4.229 4.340 0.002 0.000 0.204 334 Q C 2.117 177.914 176.000 -0.339 0.000 0.962 334 Q CA 1.547 56.885 55.803 -0.776 0.000 0.879 334 Q CB -0.007 28.370 28.738 -0.602 0.000 0.947 334 Q HN 0.561 nan 8.270 nan 0.000 0.462 335 S N -1.271 114.286 115.700 -0.238 0.000 2.562 335 S HA -0.049 4.422 4.470 0.002 0.000 0.221 335 S C 0.290 174.857 174.600 -0.054 0.000 0.975 335 S CA -0.196 57.905 58.200 -0.164 0.000 0.918 335 S CB -0.169 62.848 63.200 -0.304 0.000 0.772 335 S HN 0.350 nan 8.310 nan 0.000 0.531 336 H N 2.711 121.737 119.070 -0.074 0.000 2.610 336 H HA 0.316 4.873 4.556 0.001 0.000 0.336 336 H C -1.837 173.521 175.328 0.050 0.000 1.087 336 H CA -1.524 54.525 56.048 0.001 0.000 1.405 336 H CB 1.081 30.855 29.762 0.020 0.000 1.460 336 H HN -0.054 nan 8.280 nan 0.000 0.538 337 P HA -0.166 nan 4.420 nan 0.000 0.219 337 P C 0.744 178.145 177.300 0.168 0.000 1.146 337 P CA 1.072 64.174 63.100 0.003 0.000 0.808 337 P CB 0.114 31.752 31.700 -0.103 0.000 0.779 338 C N -3.045 116.505 119.300 0.416 0.000 2.539 338 C HA 0.007 4.468 4.460 0.002 0.000 0.271 338 C C 2.383 177.477 174.990 0.173 0.000 1.412 338 C CA -0.406 58.768 59.018 0.260 0.000 1.729 338 C CB -2.286 25.590 27.740 0.226 0.000 1.739 338 C HN 0.239 nan 8.230 nan 0.000 0.570 339 Y N 3.512 123.861 120.300 0.082 0.000 2.097 339 Y HA -0.106 4.443 4.550 -0.002 0.000 0.282 339 Y C -0.593 175.293 175.900 -0.022 0.000 1.152 339 Y CA 1.752 59.853 58.100 0.001 0.000 1.136 339 Y CB -1.662 36.800 38.460 0.002 0.000 0.975 339 Y HN 0.232 nan 8.280 nan 0.000 0.498 340 P HA -0.147 nan 4.420 nan 0.000 0.216 340 P C 1.535 178.694 177.300 -0.235 0.000 1.153 340 P CA 2.536 65.452 63.100 -0.306 0.000 0.848 340 P CB -0.364 31.275 31.700 -0.102 0.000 0.787 341 A N -0.604 122.143 122.820 -0.122 0.000 1.902 341 A HA -0.185 4.136 4.320 0.002 0.000 0.217 341 A C 2.151 179.663 177.584 -0.119 0.000 1.181 341 A CA 1.522 53.503 52.037 -0.093 0.000 0.623 341 A CB -1.669 17.307 19.000 -0.040 0.000 0.818 341 A HN 0.148 nan 8.150 nan 0.000 0.443 342 L N -0.907 120.239 121.223 -0.129 0.000 2.093 342 L HA -0.063 4.279 4.340 0.002 0.000 0.208 342 L C 2.221 178.978 176.870 -0.188 0.000 1.085 342 L CA 1.720 56.484 54.840 -0.126 0.000 0.755 342 L CB -0.595 41.410 42.059 -0.089 0.000 0.904 342 L HN 0.368 nan 8.230 nan 0.000 0.435 343 L N -0.261 120.769 121.223 -0.321 0.000 2.042 343 L HA -0.237 4.104 4.340 0.002 0.000 0.210 343 L C 2.463 179.199 176.870 -0.222 0.000 1.076 343 L CA 1.990 56.620 54.840 -0.351 0.000 0.749 343 L CB -0.782 40.888 42.059 -0.648 0.000 0.893 343 L HN 0.474 nan 8.230 nan 0.000 0.432 344 E N -1.093 118.988 120.200 -0.197 0.000 2.077 344 E HA -0.304 4.048 4.350 0.002 0.000 0.193 344 E C 2.133 178.669 176.600 -0.108 0.000 0.989 344 E CA 1.438 57.758 56.400 -0.132 0.000 0.800 344 E CB -0.151 29.483 29.700 -0.110 0.000 0.746 344 E HN 0.718 nan 8.360 nan 0.000 0.452 345 Q N 0.056 119.792 119.800 -0.107 0.000 2.123 345 Q HA -0.137 4.204 4.340 0.002 0.000 0.199 345 Q C 2.017 177.955 176.000 -0.103 0.000 0.966 345 Q CA 1.146 56.894 55.803 -0.092 0.000 0.845 345 Q CB -0.106 28.585 28.738 -0.079 0.000 0.907 345 Q HN 0.257 nan 8.270 nan 0.000 0.439 346 A N 1.762 124.513 122.820 -0.116 0.000 1.865 346 A HA -0.234 4.087 4.320 0.002 0.000 0.217 346 A C 2.057 179.583 177.584 -0.096 0.000 1.191 346 A CA 1.886 53.856 52.037 -0.112 0.000 0.623 346 A CB -0.488 18.437 19.000 -0.124 0.000 0.826 346 A HN 0.397 nan 8.150 nan 0.000 0.444 347 K N -0.359 119.984 120.400 -0.095 0.000 2.063 347 K HA -0.141 4.181 4.320 0.002 0.000 0.208 347 K C 1.753 178.312 176.600 -0.067 0.000 1.048 347 K CA 1.336 57.577 56.287 -0.075 0.000 0.928 347 K CB -0.313 32.142 32.500 -0.075 0.000 0.713 347 K HN 0.430 nan 8.250 nan 0.000 0.442 348 N N 1.221 119.879 118.700 -0.071 0.000 2.272 348 N HA -0.158 4.584 4.740 0.002 0.000 0.185 348 N C 1.016 176.486 175.510 -0.067 0.000 1.014 348 N CA 1.275 54.287 53.050 -0.063 0.000 0.870 348 N CB 0.032 38.481 38.487 -0.062 0.000 0.975 348 N HN 0.260 nan 8.380 nan 0.000 0.433 349 K N -0.269 120.082 120.400 -0.081 0.000 2.374 349 K HA 0.169 4.491 4.320 0.002 0.000 0.196 349 K C 0.567 177.124 176.600 -0.072 0.000 1.023 349 K CA 0.119 56.353 56.287 -0.088 0.000 1.103 349 K CB 0.561 32.983 32.500 -0.130 0.000 0.848 349 K HN 0.100 nan 8.250 nan 0.000 0.528 350 G N 2.227 110.991 108.800 -0.060 0.000 2.272 350 G HA2 -0.272 3.689 3.960 0.002 0.000 0.280 350 G HA3 -0.272 3.689 3.960 0.002 0.000 0.280 350 G C -0.559 174.317 174.900 -0.040 0.000 1.067 350 G CA 0.172 45.245 45.100 -0.045 0.000 0.902 350 G HN 0.367 nan 8.290 nan 0.000 0.500 351 E N -0.460 119.711 120.200 -0.049 0.000 2.312 351 E HA 0.605 4.956 4.350 0.002 0.000 0.267 351 E C 0.744 177.322 176.600 -0.036 0.000 0.894 351 E CA -0.321 56.055 56.400 -0.040 0.000 0.773 351 E CB 1.546 31.207 29.700 -0.065 0.000 1.241 351 E HN 0.366 nan 8.360 nan 0.000 0.432 352 T N -0.848 113.702 114.554 -0.006 0.000 2.788 352 T HA 0.139 4.490 4.350 0.002 0.000 0.287 352 T C 1.144 175.781 174.700 -0.106 0.000 1.007 352 T CA -0.505 61.585 62.100 -0.017 0.000 1.005 352 T CB 0.702 69.638 68.868 0.113 0.000 1.012 352 T HN 0.443 nan 8.240 nan 0.000 0.530 353 I N 0.611 121.025 120.570 -0.260 0.000 2.315 353 I HA -0.033 4.138 4.170 0.002 0.000 0.248 353 I C 1.804 177.691 176.117 -0.383 0.000 1.117 353 I CA 1.193 62.293 61.300 -0.333 0.000 1.404 353 I CB -0.625 37.170 38.000 -0.342 0.000 1.071 353 I HN 0.757 nan 8.210 nan 0.000 0.419 354 Y N 0.850 121.111 120.300 -0.064 0.000 2.165 354 Y HA -0.218 4.336 4.550 0.006 0.000 0.286 354 Y C 2.489 178.384 175.900 -0.008 0.000 1.155 354 Y CA 1.734 59.794 58.100 -0.067 0.000 1.164 354 Y CB -1.149 37.341 38.460 0.050 0.000 0.978 354 Y HN 0.239 nan 8.280 nan 0.000 0.513 355 E N 0.117 120.404 120.200 0.145 0.000 2.110 355 E HA -0.185 4.167 4.350 0.002 0.000 0.193 355 E C 2.434 179.080 176.600 0.076 0.000 0.988 355 E CA 0.929 57.396 56.400 0.110 0.000 0.804 355 E CB -0.302 29.442 29.700 0.074 0.000 0.745 355 E HN 0.486 nan 8.360 nan 0.000 0.458 356 A N 1.117 123.936 122.820 -0.001 0.000 1.898 356 A HA -0.145 4.177 4.320 0.002 0.000 0.216 356 A C 2.184 179.792 177.584 0.040 0.000 1.181 356 A CA 1.009 53.044 52.037 -0.005 0.000 0.620 356 A CB -0.582 18.373 19.000 -0.074 0.000 0.819 356 A HN 0.121 nan 8.150 nan 0.000 0.442 357 L N -0.257 120.927 121.223 -0.065 0.000 2.093 357 L HA -0.188 4.153 4.340 0.002 0.000 0.208 357 L C 2.200 179.131 176.870 0.101 0.000 1.085 357 L CA 1.154 55.941 54.840 -0.089 0.000 0.755 357 L CB -0.654 41.100 42.059 -0.507 0.000 0.904 357 L HN 0.332 nan 8.230 nan 0.000 0.435 358 N N -0.587 118.215 118.700 0.171 0.000 2.223 358 N HA -0.237 4.504 4.740 0.002 0.000 0.185 358 N C 1.698 177.316 175.510 0.180 0.000 1.016 358 N CA 1.169 54.356 53.050 0.228 0.000 0.863 358 N CB -0.421 38.206 38.487 0.233 0.000 0.983 358 N HN 0.350 nan 8.380 nan 0.000 0.429 359 Y N 1.318 121.649 120.300 0.052 0.000 2.181 359 Y HA -0.045 4.506 4.550 0.002 0.000 0.288 359 Y C 2.102 178.019 175.900 0.029 0.000 1.146 359 Y CA 1.264 59.383 58.100 0.033 0.000 1.164 359 Y CB -0.310 38.159 38.460 0.015 0.000 0.982 359 Y HN -0.039 nan 8.280 nan 0.000 0.515 360 I N -0.352 120.266 120.570 0.081 0.000 2.226 360 I HA -0.340 3.832 4.170 0.002 0.000 0.245 360 I C 2.284 178.374 176.117 -0.046 0.000 1.100 360 I CA 1.267 62.561 61.300 -0.010 0.000 1.374 360 I CB -0.406 37.625 38.000 0.052 0.000 1.057 360 I HN 0.257 nan 8.210 nan 0.000 0.413 361 L N 0.037 121.274 121.223 0.022 0.000 2.017 361 L HA -0.221 4.120 4.340 0.002 0.000 0.208 361 L C 2.769 179.620 176.870 -0.032 0.000 1.073 361 L CA 1.463 56.318 54.840 0.026 0.000 0.745 361 L CB -0.590 41.523 42.059 0.091 0.000 0.894 361 L HN 0.159 nan 8.230 nan 0.000 0.432 362 R N -0.650 119.813 120.500 -0.062 0.000 2.083 362 R HA -0.115 4.226 4.340 0.002 0.000 0.237 362 R C 1.199 177.409 176.300 -0.150 0.000 1.137 362 R CA 0.753 56.795 56.100 -0.097 0.000 0.951 362 R CB -0.189 30.053 30.300 -0.096 0.000 0.851 362 R HN 0.356 nan 8.270 nan 0.000 0.434 366 G N 0.228 109.012 108.800 -0.027 0.000 4.886 366 G HA2 -0.267 3.695 3.960 0.002 0.000 0.305 366 G HA3 -0.267 3.695 3.960 0.002 0.000 0.305 366 G C -0.003 174.886 174.900 -0.018 0.000 1.483 366 G CA 0.513 45.600 45.100 -0.022 0.000 1.029 366 G HN 0.803 nan 8.290 nan 0.000 0.746 367 E N 2.463 122.662 120.200 -0.002 0.000 2.319 367 E HA 0.390 4.741 4.350 0.002 0.000 0.268 367 E C -1.578 175.021 176.600 -0.001 0.000 1.050 367 E CA -1.386 55.016 56.400 0.003 0.000 0.878 367 E CB 1.353 31.064 29.700 0.017 0.000 1.066 367 E HN 0.171 nan 8.360 nan 0.000 0.406 368 P HA -0.125 nan 4.420 nan 0.000 0.218 368 P C 0.702 177.989 177.300 -0.022 0.000 1.148 368 P CA 1.119 64.214 63.100 -0.009 0.000 0.822 368 P CB 0.382 32.083 31.700 0.002 0.000 0.784 369 E N -1.217 118.978 120.200 -0.008 0.000 2.511 369 E HA -0.032 4.319 4.350 0.002 0.000 0.196 369 E C 1.037 177.616 176.600 -0.035 0.000 1.066 369 E CA 0.445 56.834 56.400 -0.018 0.000 0.871 369 E CB -0.878 28.839 29.700 0.028 0.000 0.863 369 E HN 0.220 nan 8.360 nan 0.000 0.520 370 N N -0.411 118.294 118.700 0.008 0.000 2.280 370 N HA 0.123 4.864 4.740 0.002 0.000 0.192 370 N C 1.301 176.751 175.510 -0.100 0.000 1.109 370 N CA 0.047 53.155 53.050 0.097 0.000 0.855 370 N CB 0.354 38.946 38.487 0.175 0.000 0.974 370 N HN 0.231 nan 8.380 nan 0.000 0.482 371 I N 1.010 121.485 120.570 -0.158 0.000 2.208 371 I HA -0.260 3.912 4.170 0.002 0.000 0.245 371 I C 2.244 178.216 176.117 -0.242 0.000 1.097 371 I CA 0.957 62.176 61.300 -0.135 0.000 1.363 371 I CB -0.165 37.790 38.000 -0.076 0.000 1.051 371 I HN 0.072 nan 8.210 nan 0.000 0.413 372 A N 0.759 123.296 122.820 -0.471 0.000 1.978 372 A HA -0.200 4.122 4.320 0.002 0.000 0.220 372 A C 1.864 179.013 177.584 -0.724 0.000 1.170 372 A CA 1.552 53.257 52.037 -0.554 0.000 0.636 372 A CB -0.890 17.701 19.000 -0.681 0.000 0.810 372 A HN 0.412 nan 8.150 nan 0.000 0.448 373 F N -0.164 119.430 119.950 -0.594 0.000 2.748 373 F HA 0.124 4.653 4.527 0.002 0.000 0.299 373 F C 1.685 177.337 175.800 -0.247 0.000 1.154 373 F CA 0.013 57.586 58.000 -0.711 0.000 1.446 373 F CB -0.695 37.988 39.000 -0.527 0.000 1.112 373 F HN 0.081 nan 8.300 nan 0.000 0.584 374 L N -0.076 121.129 121.223 -0.030 0.000 2.261 374 L HA -0.171 4.170 4.340 0.002 0.000 0.216 374 L C 1.814 178.709 176.870 0.041 0.000 1.114 374 L CA 1.628 56.479 54.840 0.018 0.000 0.777 374 L CB -0.936 41.126 42.059 0.005 0.000 0.910 374 L HN 0.244 nan 8.230 nan 0.000 0.440 375 T N -5.019 109.576 114.554 0.069 0.000 3.264 375 T HA 0.079 4.430 4.350 0.002 0.000 0.257 375 T C 1.029 175.778 174.700 0.082 0.000 0.976 375 T CA -0.222 61.910 62.100 0.054 0.000 0.908 375 T CB -0.287 68.613 68.868 0.053 0.000 1.082 375 T HN 0.084 nan 8.240 nan 0.000 0.567 376 N N 2.134 120.934 118.700 0.165 0.000 2.289 376 N HA -0.109 4.632 4.740 0.002 0.000 0.184 376 N C 0.878 176.430 175.510 0.070 0.000 1.016 376 N CA 1.264 54.459 53.050 0.243 0.000 0.872 376 N CB -0.010 38.612 38.487 0.226 0.000 0.973 376 N HN 0.453 nan 8.380 nan 0.000 0.433 377 D N -0.849 119.521 120.400 -0.050 0.000 2.501 377 D HA 0.206 4.847 4.640 0.002 0.000 0.224 377 D C -0.438 175.705 176.300 -0.262 0.000 1.202 377 D CA 0.013 53.960 54.000 -0.089 0.000 0.829 377 D CB 1.107 41.914 40.800 0.012 0.000 1.023 377 D HN 0.266 nan 8.370 nan 0.000 0.499 378 I N 1.396 121.691 120.570 -0.459 0.000 2.447 378 I HA 0.220 4.391 4.170 0.002 0.000 0.287 378 I C -0.204 175.618 176.117 -0.491 0.000 1.023 378 I CA -0.507 60.597 61.300 -0.326 0.000 1.083 378 I CB 1.721 39.663 38.000 -0.096 0.000 1.245 378 I HN -0.124 nan 8.210 nan 0.000 0.434 382 P HA 0.102 nan 4.420 nan 0.000 0.258 382 P C -0.297 177.262 177.300 0.431 0.000 1.416 382 P CA 0.172 63.407 63.100 0.225 0.000 0.927 382 P CB -0.149 31.670 31.700 0.198 0.000 1.444 383 Y N -0.586 119.875 120.300 0.268 0.000 3.007 383 Y HA 0.182 4.733 4.550 0.002 0.000 0.390 383 Y C 1.444 177.488 175.900 0.241 0.000 1.065 383 Y CA -1.396 56.811 58.100 0.178 0.000 1.845 383 Y CB -1.717 36.746 38.460 0.005 0.000 1.828 383 Y HN -0.127 nan 8.280 nan 0.000 0.458 384 F N -0.930 119.135 119.950 0.192 0.000 2.269 384 F HA -0.166 4.361 4.527 0.000 0.000 0.301 384 F C 1.770 177.669 175.800 0.166 0.000 1.082 384 F CA 1.357 59.435 58.000 0.130 0.000 1.360 384 F CB -0.295 38.741 39.000 0.060 0.000 1.041 384 F HN 0.290 nan 8.300 nan 0.000 0.512 385 H N -0.428 118.801 119.070 0.266 0.000 2.481 385 H HA 0.463 5.021 4.556 0.002 0.000 0.273 385 H C 0.604 176.069 175.328 0.228 0.000 1.145 385 H CA 0.059 56.208 56.048 0.168 0.000 0.964 385 H CB -0.425 29.396 29.762 0.099 0.000 1.722 385 H HN 0.238 nan 8.280 nan 0.000 0.573 386 G N 0.968 109.867 108.800 0.166 0.000 2.782 386 G HA2 -0.278 3.683 3.960 0.002 0.000 0.228 386 G HA3 -0.278 3.683 3.960 0.002 0.000 0.228 386 G C -0.720 174.186 174.900 0.009 0.000 1.372 386 G CA -0.248 44.893 45.100 0.070 0.000 0.862 386 G HN 0.622 nan 8.290 nan 0.000 0.547 387 N N -0.382 118.186 118.700 -0.219 0.000 2.342 387 N HA 0.378 5.119 4.740 0.002 0.000 0.293 387 N C 1.198 176.568 175.510 -0.232 0.000 1.026 387 N CA -0.481 52.338 53.050 -0.385 0.000 0.857 387 N CB 1.659 39.559 38.487 -0.977 0.000 1.256 387 N HN 0.758 nan 8.380 nan 0.000 0.484 388 R N 2.127 122.516 120.500 -0.185 0.000 2.052 388 R HA 0.148 4.489 4.340 0.002 0.000 0.224 388 R C -0.191 175.870 176.300 -0.400 0.000 1.149 388 R CA 0.806 56.748 56.100 -0.264 0.000 0.962 388 R CB 0.092 30.208 30.300 -0.306 0.000 0.856 388 R HN 0.495 nan 8.270 nan 0.000 0.433 389 S N 0.312 115.780 115.700 -0.387 0.000 2.536 389 S HA 0.350 4.821 4.470 0.002 0.000 0.287 389 S C -2.482 171.904 174.600 -0.356 0.000 1.101 389 S CA -1.236 56.727 58.200 -0.395 0.000 0.950 389 S CB 2.693 65.631 63.200 -0.437 0.000 1.056 389 S HN 0.235 nan 8.310 nan 0.000 0.481 390 P HA 0.249 nan 4.420 nan 0.000 0.266 390 P C 0.361 177.486 177.300 -0.293 0.000 1.381 390 P CA -0.161 62.718 63.100 -0.369 0.000 0.940 390 P CB 0.280 31.710 31.700 -0.449 0.000 1.435 391 R N 0.578 120.888 120.500 -0.317 0.000 2.161 391 R HA 0.269 4.610 4.340 0.002 0.000 0.213 391 R C 1.040 177.220 176.300 -0.200 0.000 1.055 391 R CA 0.700 56.629 56.100 -0.286 0.000 0.996 391 R CB -0.565 29.473 30.300 -0.437 0.000 0.901 391 R HN 0.011 nan 8.270 nan 0.000 0.456 392 A N 2.573 125.268 122.820 -0.207 0.000 2.519 392 A HA -0.190 4.131 4.320 0.002 0.000 0.297 392 A C -0.450 177.090 177.584 -0.074 0.000 1.472 392 A CA 0.829 52.797 52.037 -0.115 0.000 0.739 392 A CB -1.747 17.226 19.000 -0.045 0.000 1.096 392 A HN 0.474 nan 8.150 nan 0.000 0.414 393 N N 0.190 118.823 118.700 -0.112 0.000 2.558 393 N HA 0.437 5.178 4.740 0.002 0.000 0.285 393 N C -1.947 173.513 175.510 -0.084 0.000 1.112 393 N CA -1.474 51.532 53.050 -0.073 0.000 0.857 393 N CB 1.666 40.124 38.487 -0.048 0.000 1.376 393 N HN 0.108 nan 8.380 nan 0.000 0.526 394 P HA 0.112 nan 4.420 nan 0.000 0.249 394 P C 0.020 177.279 177.300 -0.068 0.000 1.229 394 P CA 0.357 63.376 63.100 -0.134 0.000 0.788 394 P CB 0.595 32.089 31.700 -0.344 0.000 1.072 395 N N -0.238 118.447 118.700 -0.025 0.000 2.373 395 N HA 0.092 4.833 4.740 0.002 0.000 0.181 395 N C 0.950 176.496 175.510 0.060 0.000 1.082 395 N CA 0.089 53.154 53.050 0.026 0.000 0.885 395 N CB 0.226 38.740 38.487 0.045 0.000 0.977 395 N HN 0.251 nan 8.380 nan 0.000 0.462 396 L N 1.416 122.650 121.223 0.019 0.000 2.483 396 L HA 0.074 4.416 4.340 0.002 0.000 0.275 396 L C 0.983 177.857 176.870 0.007 0.000 1.220 396 L CA 0.294 55.114 54.840 -0.034 0.000 0.833 396 L CB 0.418 42.433 42.059 -0.073 0.000 1.102 396 L HN 0.137 nan 8.230 nan 0.000 0.490 397 T N -1.210 113.304 114.554 -0.068 0.000 2.864 397 T HA 0.624 4.976 4.350 0.002 0.000 0.289 397 T C -0.063 174.565 174.700 -0.119 0.000 1.082 397 T CA -0.593 61.483 62.100 -0.040 0.000 1.009 397 T CB 1.566 70.429 68.868 -0.008 0.000 1.234 397 T HN 0.645 nan 8.240 nan 0.000 0.526 398 G N -0.359 108.234 108.800 -0.346 0.000 2.507 398 G HA2 0.647 4.608 3.960 0.002 0.000 0.271 398 G HA3 0.647 4.608 3.960 0.002 0.000 0.271 398 G C -0.872 173.856 174.900 -0.286 0.000 1.189 398 G CA -0.898 43.918 45.100 -0.472 0.000 0.859 398 G HN 0.838 nan 8.290 nan 0.000 0.542 399 I N 0.294 120.805 120.570 -0.098 0.000 2.686 399 I HA 0.412 4.583 4.170 0.002 0.000 0.295 399 I C -0.747 175.422 176.117 0.088 0.000 1.114 399 I CA -0.615 60.685 61.300 0.000 0.000 1.038 399 I CB 2.513 40.536 38.000 0.038 0.000 1.238 399 I HN 0.208 nan 8.210 nan 0.000 0.420 400 I N 3.993 124.626 120.570 0.105 0.000 2.533 400 I HA 0.418 4.590 4.170 0.002 0.000 0.290 400 I C -0.050 176.137 176.117 0.117 0.000 1.056 400 I CA -0.436 60.952 61.300 0.145 0.000 1.057 400 I CB 2.465 40.573 38.000 0.179 0.000 1.240 400 I HN 0.591 nan 8.210 nan 0.000 0.423 401 T N 0.608 115.238 114.554 0.126 0.000 2.940 401 T HA 0.692 5.043 4.350 0.002 0.000 0.288 401 T C 0.710 175.457 174.700 0.079 0.000 1.045 401 T CA -0.020 62.149 62.100 0.115 0.000 1.018 401 T CB 1.799 70.771 68.868 0.174 0.000 1.151 401 T HN 1.131 nan 8.240 nan 0.000 0.529 402 G N 0.542 109.383 108.800 0.067 0.000 2.137 402 G HA2 -0.172 3.789 3.960 0.002 0.000 0.237 402 G HA3 -0.172 3.789 3.960 0.002 0.000 0.237 402 G C -0.077 174.852 174.900 0.047 0.000 1.002 402 G CA 0.084 45.210 45.100 0.042 0.000 0.702 402 G HN 0.915 nan 8.290 nan 0.000 0.515 403 L N -0.221 121.035 121.223 0.055 0.000 2.416 403 L HA 0.527 4.868 4.340 0.002 0.000 0.272 403 L C 0.871 177.769 176.870 0.047 0.000 1.161 403 L CA 0.141 55.015 54.840 0.057 0.000 0.845 403 L CB 0.807 42.900 42.059 0.057 0.000 1.119 403 L HN 0.117 nan 8.230 nan 0.000 0.464 404 K N 2.126 122.556 120.400 0.050 0.000 2.433 404 K HA 0.405 4.726 4.320 0.002 0.000 0.252 404 K C 0.569 177.194 176.600 0.041 0.000 1.015 404 K CA -0.953 55.359 56.287 0.042 0.000 0.860 404 K CB 2.065 34.591 32.500 0.043 0.000 1.359 404 K HN 0.430 nan 8.250 nan 0.000 0.452 405 L N 0.589 121.831 121.223 0.032 0.000 2.265 405 L HA -0.051 4.290 4.340 0.002 0.000 0.215 405 L C 1.066 177.956 176.870 0.033 0.000 1.117 405 L CA 0.695 55.551 54.840 0.027 0.000 0.782 405 L CB -0.170 41.902 42.059 0.021 0.000 0.914 405 L HN 0.549 nan 8.230 nan 0.000 0.441 406 S N -0.174 115.553 115.700 0.045 0.000 2.552 406 S HA 0.013 4.485 4.470 0.002 0.000 0.289 406 S C 0.285 174.932 174.600 0.078 0.000 1.304 406 S CA 0.002 58.235 58.200 0.056 0.000 1.063 406 S CB 0.268 63.504 63.200 0.060 0.000 0.848 406 S HN 0.173 nan 8.310 nan 0.000 0.499 407 T N 4.287 118.889 114.554 0.081 0.000 3.150 407 T HA 0.444 4.796 4.350 0.002 0.000 0.383 407 T C -0.194 174.608 174.700 0.170 0.000 1.313 407 T CA -0.705 61.470 62.100 0.125 0.000 1.235 407 T CB 0.560 69.447 68.868 0.031 0.000 1.088 407 T HN 0.763 nan 8.240 nan 0.000 0.556 408 T N -0.467 114.206 114.554 0.198 0.000 2.887 408 T HA 0.584 4.935 4.350 0.002 0.000 0.292 408 T C -2.330 172.410 174.700 0.065 0.000 1.087 408 T CA -2.176 59.994 62.100 0.116 0.000 1.009 408 T CB 1.976 70.883 68.868 0.066 0.000 1.203 408 T HN -0.130 nan 8.240 nan 0.000 0.518 409 P HA 0.037 nan 4.420 nan 0.000 0.219 409 P C 1.062 178.330 177.300 -0.054 0.000 1.150 409 P CA 0.889 63.962 63.100 -0.046 0.000 0.814 409 P CB 0.092 31.786 31.700 -0.010 0.000 0.787 410 E N -0.238 119.957 120.200 -0.009 0.000 2.077 410 E HA -0.108 4.243 4.350 0.002 0.000 0.193 410 E C 0.869 177.471 176.600 0.003 0.000 0.989 410 E CA 0.902 57.304 56.400 0.004 0.000 0.800 410 E CB -0.834 28.877 29.700 0.017 0.000 0.746 410 E HN 0.367 nan 8.360 nan 0.000 0.452 414 L N 0.442 121.726 121.223 0.101 0.000 2.093 414 L HA -0.055 4.286 4.340 0.002 0.000 0.208 414 L C 2.609 179.541 176.870 0.104 0.000 1.085 414 L CA 1.869 56.764 54.840 0.091 0.000 0.755 414 L CB -0.323 41.772 42.059 0.060 0.000 0.904 414 L HN 0.560 nan 8.230 nan 0.000 0.435 415 R N -0.550 120.021 120.500 0.118 0.000 2.092 415 R HA -0.228 4.113 4.340 0.002 0.000 0.231 415 R C 2.498 178.897 176.300 0.165 0.000 1.119 415 R CA 1.608 57.789 56.100 0.135 0.000 0.970 415 R CB -0.379 30.011 30.300 0.151 0.000 0.864 415 R HN 0.322 nan 8.270 nan 0.000 0.440 416 Y N 1.171 121.505 120.300 0.056 0.000 2.145 416 Y HA -0.263 4.290 4.550 0.004 0.000 0.286 416 Y C 1.958 177.917 175.900 0.097 0.000 1.145 416 Y CA 1.690 59.838 58.100 0.079 0.000 1.148 416 Y CB -0.588 37.917 38.460 0.074 0.000 0.981 416 Y HN 0.126 nan 8.280 nan 0.000 0.507 417 L N 1.247 122.407 121.223 -0.105 0.000 2.012 417 L HA -0.108 4.233 4.340 0.002 0.000 0.210 417 L C 2.514 179.339 176.870 -0.074 0.000 1.073 417 L CA 2.251 56.981 54.840 -0.183 0.000 0.748 417 L CB -1.503 40.541 42.059 -0.025 0.000 0.891 417 L HN 0.348 nan 8.230 nan 0.000 0.431 418 A N -1.661 121.165 122.820 0.010 0.000 1.940 418 A HA -0.222 4.100 4.320 0.002 0.000 0.219 418 A C 2.246 179.860 177.584 0.049 0.000 1.176 418 A CA 2.353 54.419 52.037 0.049 0.000 0.631 418 A CB -1.218 17.823 19.000 0.068 0.000 0.814 418 A HN 0.547 nan 8.150 nan 0.000 0.446 419 T N 0.276 114.849 114.554 0.031 0.000 2.708 419 T HA -0.087 4.264 4.350 0.002 0.000 0.266 419 T C 1.815 176.516 174.700 0.001 0.000 1.037 419 T CA 1.447 63.565 62.100 0.031 0.000 1.146 419 T CB -0.400 68.494 68.868 0.043 0.000 0.865 419 T HN 0.426 nan 8.240 nan 0.000 0.435 420 I N 1.104 121.630 120.570 -0.073 0.000 2.163 420 I HA -0.259 3.912 4.170 0.002 0.000 0.243 420 I C 2.829 178.846 176.117 -0.167 0.000 1.085 420 I CA 1.522 62.762 61.300 -0.100 0.000 1.347 420 I CB -0.402 37.487 38.000 -0.185 0.000 1.044 420 I HN 0.329 nan 8.210 nan 0.000 0.408 421 Q N 0.338 120.083 119.800 -0.090 0.000 2.119 421 Q HA -0.160 4.181 4.340 0.002 0.000 0.201 421 Q C 2.444 178.403 176.000 -0.067 0.000 0.972 421 Q CA 1.591 57.366 55.803 -0.046 0.000 0.847 421 Q CB -0.254 28.572 28.738 0.147 0.000 0.903 421 Q HN 0.577 nan 8.270 nan 0.000 0.433 422 A N 0.936 123.768 122.820 0.021 0.000 1.902 422 A HA -0.163 4.158 4.320 0.002 0.000 0.217 422 A C 2.061 179.668 177.584 0.039 0.000 1.181 422 A CA 1.123 53.227 52.037 0.111 0.000 0.623 422 A CB -0.665 18.449 19.000 0.191 0.000 0.818 422 A HN 0.284 nan 8.150 nan 0.000 0.443 423 L N -0.832 120.389 121.223 -0.005 0.000 2.046 423 L HA -0.181 4.161 4.340 0.002 0.000 0.208 423 L C 3.080 179.827 176.870 -0.204 0.000 1.077 423 L CA 1.015 55.859 54.840 0.008 0.000 0.747 423 L CB -0.569 41.558 42.059 0.112 0.000 0.896 423 L HN 0.434 nan 8.230 nan 0.000 0.432 424 A N 0.114 122.579 122.820 -0.592 0.000 1.933 424 A HA -0.149 4.172 4.320 0.002 0.000 0.218 424 A C 2.247 179.516 177.584 -0.526 0.000 1.175 424 A CA 1.411 52.906 52.037 -0.903 0.000 0.628 424 A CB -0.612 17.728 19.000 -1.100 0.000 0.814 424 A HN 0.369 nan 8.150 nan 0.000 0.444 425 L N -0.913 120.020 121.223 -0.484 0.000 2.109 425 L HA -0.046 4.295 4.340 0.002 0.000 0.207 425 L C 2.784 179.251 176.870 -0.671 0.000 1.086 425 L CA 0.853 55.313 54.840 -0.633 0.000 0.760 425 L CB -0.659 40.923 42.059 -0.796 0.000 0.910 425 L HN 0.471 nan 8.230 nan 0.000 0.437 426 G N -0.891 107.642 108.800 -0.445 0.000 2.432 426 G HA2 -0.223 3.738 3.960 0.002 0.000 0.219 426 G HA3 -0.223 3.738 3.960 0.002 0.000 0.219 426 G C 1.600 176.501 174.900 0.002 0.000 1.135 426 G CA 1.288 46.410 45.100 0.038 0.000 0.767 426 G HN 0.254 nan 8.290 nan 0.000 0.550 427 T N -0.174 114.353 114.554 -0.045 0.000 2.857 427 T HA -0.017 4.334 4.350 0.002 0.000 0.266 427 T C 2.315 176.986 174.700 -0.049 0.000 1.048 427 T CA 0.977 63.098 62.100 0.035 0.000 1.139 427 T CB -0.043 68.925 68.868 0.167 0.000 0.874 427 T HN 0.325 nan 8.240 nan 0.000 0.455 428 R N 0.192 120.597 120.500 -0.158 0.000 2.091 428 R HA -0.153 4.188 4.340 0.002 0.000 0.238 428 R C 2.301 178.578 176.300 -0.039 0.000 1.136 428 R CA 1.674 57.647 56.100 -0.211 0.000 0.959 428 R CB -0.402 29.602 30.300 -0.494 0.000 0.856 428 R HN 0.606 nan 8.270 nan 0.000 0.437 429 H N -0.211 118.840 119.070 -0.031 0.000 2.353 429 H HA -0.098 4.459 4.556 0.002 0.000 0.300 429 H C 2.137 177.485 175.328 0.033 0.000 1.090 429 H CA 1.739 57.885 56.048 0.164 0.000 1.327 429 H CB 0.053 29.971 29.762 0.260 0.000 1.383 429 H HN 0.226 nan 8.280 nan 0.000 0.508 430 I N 0.580 121.103 120.570 -0.079 0.000 2.179 430 I HA -0.290 3.881 4.170 0.002 0.000 0.242 430 I C 2.408 178.453 176.117 -0.120 0.000 1.088 430 I CA 1.069 62.242 61.300 -0.212 0.000 1.357 430 I CB -0.138 37.630 38.000 -0.387 0.000 1.051 430 I HN 0.313 nan 8.210 nan 0.000 0.409 431 I N 0.441 120.973 120.570 -0.064 0.000 2.226 431 I HA -0.279 3.893 4.170 0.002 0.000 0.245 431 I C 2.422 178.526 176.117 -0.022 0.000 1.100 431 I CA 1.500 62.772 61.300 -0.047 0.000 1.374 431 I CB -0.410 37.567 38.000 -0.039 0.000 1.057 431 I HN 0.249 nan 8.210 nan 0.000 0.413 432 E N 0.074 120.282 120.200 0.012 0.000 2.110 432 E HA -0.119 4.232 4.350 0.002 0.000 0.193 432 E C 0.967 177.601 176.600 0.056 0.000 0.988 432 E CA 0.936 57.368 56.400 0.053 0.000 0.804 432 E CB -0.050 29.726 29.700 0.127 0.000 0.745 432 E HN 0.458 nan 8.360 nan 0.000 0.458 436 Q N 0.124 119.943 119.800 0.032 0.000 2.403 436 Q HA 0.303 4.644 4.340 0.002 0.000 0.203 436 Q C -0.198 175.808 176.000 0.008 0.000 0.932 436 Q CA 0.562 56.379 55.803 0.022 0.000 0.945 436 Q CB 0.276 29.033 28.738 0.032 0.000 1.045 436 Q HN 0.185 nan 8.270 nan 0.000 0.511 437 N N -0.997 117.703 118.700 -0.000 0.000 2.536 437 N HA 0.158 4.899 4.740 0.002 0.000 0.286 437 N C -0.072 175.298 175.510 -0.232 0.000 1.577 437 N CA 0.573 53.605 53.050 -0.029 0.000 0.883 437 N CB 1.795 40.302 38.487 0.033 0.000 1.390 437 N HN 0.267 nan 8.380 nan 0.000 0.491 438 G N 0.102 108.720 108.800 -0.302 0.000 2.211 438 G HA2 -0.230 3.732 3.960 0.002 0.000 0.201 438 G HA3 -0.230 3.732 3.960 0.002 0.000 0.201 438 G C -0.433 174.050 174.900 -0.695 0.000 0.997 438 G CA -0.327 44.358 45.100 -0.691 0.000 0.652 438 G HN 0.290 nan 8.290 nan 0.000 0.500 439 Y N 0.339 120.505 120.300 -0.224 0.000 2.534 439 Y HA 0.677 5.228 4.550 0.003 0.000 0.329 439 Y C 0.717 176.583 175.900 -0.057 0.000 1.154 439 Y CA -1.076 56.959 58.100 -0.108 0.000 1.192 439 Y CB 1.307 39.719 38.460 -0.080 0.000 1.275 439 Y HN -0.004 nan 8.280 nan 0.000 0.491 440 N N 2.016 120.806 118.700 0.151 0.000 2.679 440 N HA 0.265 5.006 4.740 0.002 0.000 0.302 440 N C -1.259 174.300 175.510 0.082 0.000 1.941 440 N CA 0.016 53.117 53.050 0.084 0.000 0.875 440 N CB 0.600 39.117 38.487 0.050 0.000 1.278 440 N HN 0.501 nan 8.380 nan 0.000 0.490 441 I N 1.397 122.015 120.570 0.081 0.000 2.471 441 I HA -0.011 4.161 4.170 0.002 0.000 0.286 441 I C 0.805 176.933 176.117 0.017 0.000 1.079 441 I CA 0.305 61.631 61.300 0.045 0.000 1.398 441 I CB 0.690 38.690 38.000 0.000 0.000 1.403 441 I HN 0.226 nan 8.210 nan 0.000 0.530 442 D N 1.959 122.367 120.400 0.013 0.000 2.525 442 D HA 0.132 4.774 4.640 0.002 0.000 0.231 442 D C 0.112 176.406 176.300 -0.010 0.000 1.216 442 D CA -0.030 53.968 54.000 -0.002 0.000 0.813 442 D CB 0.544 41.346 40.800 0.002 0.000 1.108 442 D HN 0.360 nan 8.370 nan 0.000 0.524 447 S N 0.777 116.415 115.700 -0.102 0.000 2.671 447 S HA 1.029 5.500 4.470 0.002 0.000 0.299 447 S C 0.284 174.813 174.600 -0.119 0.000 1.116 447 S CA 0.153 58.295 58.200 -0.096 0.000 0.912 447 S CB 1.423 64.570 63.200 -0.088 0.000 1.130 447 S HN 2.927 nan 8.310 nan 0.000 0.501 448 G N -0.356 108.375 108.800 -0.114 0.000 2.612 448 G HA2 0.308 4.269 3.960 0.002 0.000 0.686 448 G HA3 0.308 4.269 3.960 0.002 0.000 0.686 448 G C 0.605 175.388 174.900 -0.195 0.000 1.274 448 G CA -0.072 44.943 45.100 -0.142 0.000 0.849 448 G HN 1.672 nan 8.290 nan 0.000 0.595 449 G N -0.243 108.429 108.800 -0.213 0.000 2.450 449 G HA2 0.211 4.172 3.960 0.002 0.000 0.220 449 G HA3 0.211 4.172 3.960 0.002 0.000 0.220 449 G C 1.989 176.638 174.900 -0.418 0.000 1.130 449 G CA 2.025 46.974 45.100 -0.253 0.000 0.760 449 G HN 1.982 nan 8.290 nan 0.000 0.557 450 G N 0.611 109.029 108.800 -0.636 0.000 2.485 450 G HA2 -0.204 3.757 3.960 0.002 0.000 0.221 450 G HA3 -0.204 3.757 3.960 0.002 0.000 0.221 450 G C 1.878 176.365 174.900 -0.689 0.000 1.115 450 G CA 1.959 46.351 45.100 -1.179 0.000 0.751 450 G HN 0.624 nan 8.290 nan 0.000 0.567 451 T N -1.978 112.356 114.554 -0.366 0.000 3.160 451 T HA 0.180 4.531 4.350 0.002 0.000 0.257 451 T C 1.796 176.432 174.700 -0.105 0.000 1.147 451 T CA 0.552 62.562 62.100 -0.149 0.000 1.064 451 T CB 0.072 68.880 68.868 -0.100 0.000 0.949 451 T HN 0.060 nan 8.240 nan 0.000 0.526 452 K N 1.689 122.000 120.400 -0.148 0.000 2.417 452 K HA 0.218 4.539 4.320 0.002 0.000 0.196 452 K C 0.214 176.778 176.600 -0.060 0.000 1.023 452 K CA -0.044 56.192 56.287 -0.086 0.000 1.122 452 K CB -0.092 32.357 32.500 -0.084 0.000 0.850 452 K HN 0.603 nan 8.250 nan 0.000 0.521 453 N N 1.694 120.348 118.700 -0.077 0.000 2.476 453 N HA 0.124 4.865 4.740 0.002 0.000 0.257 453 N C -2.011 173.556 175.510 0.096 0.000 0.970 453 N CA -1.777 51.277 53.050 0.008 0.000 0.938 453 N CB 1.644 40.085 38.487 -0.076 0.000 1.144 453 N HN -0.240 nan 8.380 nan 0.000 0.500 454 P HA -0.076 nan 4.420 nan 0.000 0.221 454 P C 1.162 178.525 177.300 0.105 0.000 1.150 454 P CA 0.849 64.003 63.100 0.090 0.000 0.800 454 P CB 0.479 32.223 31.700 0.073 0.000 0.787 455 I N -1.754 118.898 120.570 0.137 0.000 2.353 455 I HA -0.175 3.996 4.170 0.002 0.000 0.248 455 I C 2.383 178.572 176.117 0.121 0.000 1.119 455 I CA 1.094 62.462 61.300 0.113 0.000 1.417 455 I CB -0.566 37.513 38.000 0.132 0.000 1.078 455 I HN -0.158 nan 8.210 nan 0.000 0.421 456 F N 1.481 121.439 119.950 0.014 0.000 2.134 456 F HA -0.204 4.324 4.527 0.002 0.000 0.299 456 F C 2.326 178.158 175.800 0.052 0.000 1.097 456 F CA 1.583 59.598 58.000 0.025 0.000 1.264 456 F CB -0.126 38.849 39.000 -0.042 0.000 1.001 456 F HN -0.257 nan 8.300 nan 0.000 0.479 457 V N 0.220 120.286 119.914 0.254 0.000 2.270 457 V HA -0.299 3.822 4.120 0.002 0.000 0.245 457 V C 2.294 178.399 176.094 0.018 0.000 1.043 457 V CA 2.142 64.511 62.300 0.115 0.000 1.014 457 V CB -0.799 31.082 31.823 0.097 0.000 0.645 457 V HN 0.360 nan 8.190 nan 0.000 0.447 458 Q N 0.050 119.859 119.800 0.015 0.000 2.119 458 Q HA -0.182 4.159 4.340 0.002 0.000 0.201 458 Q C 2.049 177.996 176.000 -0.088 0.000 0.972 458 Q CA 1.599 57.387 55.803 -0.025 0.000 0.847 458 Q CB -0.188 28.546 28.738 -0.006 0.000 0.903 458 Q HN 0.571 nan 8.270 nan 0.000 0.433 459 E N -1.000 119.134 120.200 -0.110 0.000 2.216 459 E HA -0.110 4.242 4.350 0.002 0.000 0.192 459 E C 1.749 178.088 176.600 -0.435 0.000 0.988 459 E CA 0.753 57.004 56.400 -0.247 0.000 0.834 459 E CB -0.249 29.357 29.700 -0.157 0.000 0.772 459 E HN 0.562 nan 8.360 nan 0.000 0.479 460 H N 0.914 119.739 119.070 -0.408 0.000 2.353 460 H HA 0.016 4.573 4.556 0.002 0.000 0.300 460 H C 1.964 177.100 175.328 -0.320 0.000 1.090 460 H CA 1.753 57.557 56.048 -0.405 0.000 1.327 460 H CB -0.120 29.395 29.762 -0.411 0.000 1.383 460 H HN 0.210 nan 8.280 nan 0.000 0.508 461 A N 0.750 123.491 122.820 -0.132 0.000 1.902 461 A HA -0.201 4.120 4.320 0.002 0.000 0.217 461 A C 2.097 179.562 177.584 -0.197 0.000 1.181 461 A CA 1.778 53.737 52.037 -0.129 0.000 0.623 461 A CB -0.272 18.681 19.000 -0.078 0.000 0.818 461 A HN 0.386 nan 8.150 nan 0.000 0.443 462 N N 0.414 118.950 118.700 -0.273 0.000 2.142 462 N HA -0.057 4.684 4.740 0.002 0.000 0.186 462 N C 1.852 177.058 175.510 -0.506 0.000 1.023 462 N CA 1.543 54.410 53.050 -0.305 0.000 0.852 462 N CB -0.564 37.773 38.487 -0.250 0.000 0.998 462 N HN 0.458 nan 8.380 nan 0.000 0.424 463 A N 0.249 122.549 122.820 -0.867 0.000 1.930 463 A HA -0.096 4.226 4.320 0.002 0.000 0.217 463 A C 2.264 179.579 177.584 -0.448 0.000 1.175 463 A CA 2.120 53.657 52.037 -0.833 0.000 0.627 463 A CB -0.826 17.645 19.000 -0.882 0.000 0.815 463 A HN 0.494 nan 8.150 nan 0.000 0.443 464 T N -4.942 109.397 114.554 -0.359 0.000 3.057 464 T HA 0.382 4.733 4.350 0.002 0.000 0.254 464 T C 1.515 176.110 174.700 -0.176 0.000 1.094 464 T CA 1.149 63.096 62.100 -0.255 0.000 1.088 464 T CB 0.014 68.769 68.868 -0.188 0.000 0.934 464 T HN 1.666 nan 8.240 nan 0.000 0.497 465 G N 0.556 109.263 108.800 -0.154 0.000 2.168 465 G HA2 -0.258 3.703 3.960 0.002 0.000 0.263 465 G HA3 -0.258 3.703 3.960 0.002 0.000 0.263 465 G C 0.194 175.050 174.900 -0.072 0.000 0.977 465 G CA 0.047 45.091 45.100 -0.094 0.000 0.659 465 G HN 0.760 nan 8.290 nan 0.000 0.533 466 C N 0.587 119.838 119.300 -0.081 0.000 2.397 466 C HA 0.898 5.360 4.460 0.002 0.000 0.343 466 C C 1.287 176.247 174.990 -0.050 0.000 1.188 466 C CA -0.109 58.875 59.018 -0.056 0.000 1.992 466 C CB 1.122 28.829 27.740 -0.054 0.000 2.358 466 C HN 0.994 nan 8.230 nan 0.000 0.518 470 L N 5.041 126.250 121.223 -0.024 0.000 2.317 470 L HA 0.717 5.058 4.340 0.002 0.000 0.281 470 L C -2.133 174.723 176.870 -0.024 0.000 1.024 470 L CA -1.610 53.214 54.840 -0.027 0.000 0.810 470 L CB 1.998 44.044 42.059 -0.022 0.000 1.240 470 L HN 0.343 nan 8.230 nan 0.000 0.427 471 P HA 0.098 nan 4.420 nan 0.000 0.276 471 P C 0.089 177.382 177.300 -0.012 0.000 1.252 471 P CA -0.393 62.693 63.100 -0.023 0.000 0.802 471 P CB 1.486 33.168 31.700 -0.031 0.000 1.035 472 E N -0.108 120.089 120.200 -0.005 0.000 2.077 472 E HA -0.192 4.159 4.350 0.002 0.000 0.193 472 E C 0.263 176.873 176.600 0.017 0.000 0.989 472 E CA 1.105 57.509 56.400 0.007 0.000 0.800 472 E CB 0.144 29.850 29.700 0.011 0.000 0.746 472 E HN 0.399 nan 8.360 nan 0.000 0.452 473 E N -0.280 119.935 120.200 0.024 0.000 2.092 473 E HA 0.059 4.411 4.350 0.002 0.000 0.271 473 E C 0.159 176.774 176.600 0.025 0.000 0.919 473 E CA -0.132 56.298 56.400 0.050 0.000 0.760 473 E CB 1.250 31.016 29.700 0.110 0.000 1.106 473 E HN 0.061 nan 8.360 nan 0.000 0.408 474 S N 3.340 119.048 115.700 0.012 0.000 2.489 474 S HA -0.015 4.456 4.470 0.002 0.000 0.228 474 S C 0.439 175.033 174.600 -0.009 0.000 0.995 474 S CA 0.051 58.242 58.200 -0.015 0.000 0.934 474 S CB -0.066 63.114 63.200 -0.034 0.000 0.771 474 S HN 0.490 nan 8.310 nan 0.000 0.522 475 E N 2.783 123.002 120.200 0.031 0.000 2.614 475 E HA 0.394 4.745 4.350 0.002 0.000 0.321 475 E C 0.666 177.293 176.600 0.045 0.000 1.354 475 E CA 0.049 56.482 56.400 0.056 0.000 1.469 475 E CB -0.454 29.322 29.700 0.127 0.000 1.197 475 E HN 0.630 nan 8.360 nan 0.000 0.497 479 L N 1.364 122.400 121.223 -0.311 0.000 2.027 479 L HA 0.101 4.442 4.340 0.002 0.000 0.206 479 L C 2.129 178.713 176.870 -0.477 0.000 1.074 479 L CA 2.690 57.056 54.840 -0.791 0.000 0.745 479 L CB -0.777 40.955 42.059 -0.545 0.000 0.898 479 L HN 0.237 nan 8.230 nan 0.000 0.433 480 G N -1.476 107.167 108.800 -0.261 0.000 2.442 480 G HA2 -0.255 3.706 3.960 0.002 0.000 0.219 480 G HA3 -0.255 3.706 3.960 0.002 0.000 0.219 480 G C 1.579 176.384 174.900 -0.158 0.000 1.141 480 G CA 0.926 45.914 45.100 -0.188 0.000 0.763 480 G HN 0.483 nan 8.290 nan 0.000 0.554 481 S N 0.850 116.473 115.700 -0.129 0.000 2.368 481 S HA 0.217 4.689 4.470 0.002 0.000 0.224 481 S C 1.904 176.445 174.600 -0.098 0.000 1.029 481 S CA 0.535 58.686 58.200 -0.082 0.000 0.988 481 S CB -0.322 62.847 63.200 -0.051 0.000 0.838 481 S HN 0.727 nan 8.310 nan 0.000 0.462 486 T N 0.404 114.865 114.554 -0.154 0.000 2.788 486 T HA -0.059 4.293 4.350 0.002 0.000 0.268 486 T C 2.239 176.921 174.700 -0.029 0.000 1.044 486 T CA 2.143 64.050 62.100 -0.322 0.000 1.139 486 T CB -0.384 68.228 68.868 -0.427 0.000 0.867 486 T HN 0.180 nan 8.240 nan 0.000 0.454 487 V N 1.956 121.874 119.914 0.007 0.000 2.453 487 V HA 0.078 4.200 4.120 0.002 0.000 0.247 487 V C 3.268 179.387 176.094 0.043 0.000 1.048 487 V CA 1.318 63.641 62.300 0.039 0.000 1.049 487 V CB -1.343 30.491 31.823 0.019 0.000 0.672 487 V HN 0.684 nan 8.190 nan 0.000 0.457 488 A N 0.158 123.008 122.820 0.050 0.000 1.972 488 A HA -0.050 4.271 4.320 0.002 0.000 0.219 488 A C 2.279 179.907 177.584 0.074 0.000 1.169 488 A CA 1.800 53.871 52.037 0.058 0.000 0.635 488 A CB -0.565 18.476 19.000 0.068 0.000 0.810 488 A HN 0.567 nan 8.150 nan 0.000 0.446 489 A N -1.747 121.139 122.820 0.110 0.000 2.206 489 A HA 0.383 4.704 4.320 0.002 0.000 0.211 489 A C 1.865 179.499 177.584 0.084 0.000 1.158 489 A CA 1.267 53.383 52.037 0.131 0.000 0.761 489 A CB -0.962 18.194 19.000 0.261 0.000 0.801 489 A HN 1.888 nan 8.150 nan 0.000 0.473 490 G N -1.808 107.025 108.800 0.055 0.000 2.143 490 G HA2 -0.262 3.699 3.960 0.002 0.000 0.248 490 G HA3 -0.262 3.699 3.960 0.002 0.000 0.248 490 G C 0.831 175.723 174.900 -0.013 0.000 0.991 490 G CA 0.519 45.635 45.100 0.025 0.000 0.689 490 G HN 0.618 nan 8.290 nan 0.000 0.522 491 V N -1.141 118.751 119.914 -0.036 0.000 2.488 491 V HA 0.306 4.427 4.120 0.002 0.000 0.246 491 V C 1.195 177.045 176.094 -0.406 0.000 1.046 491 V CA 1.537 63.722 62.300 -0.192 0.000 1.053 491 V CB -0.251 31.471 31.823 -0.169 0.000 0.679 491 V HN 0.332 nan 8.190 nan 0.000 0.458 492 F N -0.495 119.408 119.950 -0.079 0.000 2.522 492 F HA 0.381 4.909 4.527 0.002 0.000 0.324 492 F C 1.272 177.043 175.800 -0.048 0.000 1.077 492 F CA -0.672 57.285 58.000 -0.071 0.000 0.944 492 F CB 1.616 40.554 39.000 -0.103 0.000 1.175 492 F HN -0.123 nan 8.300 nan 0.000 0.468 493 E N 0.372 120.669 120.200 0.162 0.000 2.216 493 E HA -0.000 4.351 4.350 0.002 0.000 0.192 493 E C 0.101 176.740 176.600 0.065 0.000 0.988 493 E CA 0.742 57.191 56.400 0.082 0.000 0.834 493 E CB 0.205 29.943 29.700 0.063 0.000 0.772 493 E HN 0.511 nan 8.360 nan 0.000 0.479 494 S N -1.452 114.290 115.700 0.069 0.000 2.596 494 S HA 0.287 4.758 4.470 0.002 0.000 0.270 494 S C 0.482 175.074 174.600 -0.014 0.000 1.155 494 S CA -0.853 57.361 58.200 0.024 0.000 0.827 494 S CB 0.887 64.100 63.200 0.022 0.000 1.130 494 S HN 0.016 nan 8.310 nan 0.000 0.467 495 L N 0.643 121.845 121.223 -0.035 0.000 2.017 495 L HA 0.034 4.375 4.340 0.002 0.000 0.208 495 L C -0.778 176.027 176.870 -0.110 0.000 1.073 495 L CA 1.433 56.225 54.840 -0.079 0.000 0.745 495 L CB -1.610 40.410 42.059 -0.065 0.000 0.894 495 L HN 0.536 nan 8.230 nan 0.000 0.432 496 P HA -0.218 nan 4.420 nan 0.000 0.216 496 P C 1.222 178.449 177.300 -0.123 0.000 1.150 496 P CA 1.467 64.529 63.100 -0.062 0.000 0.843 496 P CB -0.080 31.619 31.700 -0.001 0.000 0.787 497 E N -0.395 119.726 120.200 -0.131 0.000 2.216 497 E HA 0.048 4.399 4.350 0.002 0.000 0.192 497 E C 1.074 177.317 176.600 -0.595 0.000 0.988 497 E CA 0.211 56.488 56.400 -0.205 0.000 0.834 497 E CB -0.607 29.074 29.700 -0.033 0.000 0.772 497 E HN 0.069 nan 8.360 nan 0.000 0.479 504 R N 0.436 120.918 120.500 -0.031 0.000 2.764 504 R HA 0.595 4.936 4.340 0.002 0.000 0.270 504 R C -1.114 175.175 176.300 -0.018 0.000 1.014 504 R CA -0.886 55.200 56.100 -0.022 0.000 0.904 504 R CB 1.486 31.779 30.300 -0.011 0.000 1.236 504 R HN 0.690 nan 8.270 nan 0.000 0.466 505 I N 0.733 121.294 120.570 -0.015 0.000 2.474 505 I HA 0.159 4.330 4.170 0.002 0.000 0.287 505 I C 1.134 177.246 176.117 -0.008 0.000 1.048 505 I CA 0.481 61.773 61.300 -0.013 0.000 1.383 505 I CB 1.428 39.421 38.000 -0.013 0.000 1.412 505 I HN 0.934 nan 8.210 nan 0.000 0.531 506 G N 5.369 114.164 108.800 -0.008 0.000 2.748 506 G HA2 0.147 4.108 3.960 0.002 0.000 0.204 506 G HA3 0.147 4.108 3.960 0.002 0.000 0.204 506 G C 0.298 175.196 174.900 -0.004 0.000 1.095 506 G CA 0.076 45.173 45.100 -0.004 0.000 0.775 506 G HN 0.497 nan 8.290 nan 0.000 0.531 507 K N -0.070 120.326 120.400 -0.007 0.000 2.527 507 K HA 0.545 4.866 4.320 0.002 0.000 0.260 507 K C -1.751 174.845 176.600 -0.007 0.000 0.937 507 K CA -0.473 55.811 56.287 -0.005 0.000 0.826 507 K CB 2.146 34.644 32.500 -0.003 0.000 1.359 507 K HN -0.015 nan 8.250 nan 0.000 0.434 508 T N 1.875 116.425 114.554 -0.005 0.000 2.840 508 T HA 0.384 4.735 4.350 0.002 0.000 0.287 508 T C -1.266 173.430 174.700 -0.006 0.000 0.991 508 T CA -0.562 61.534 62.100 -0.007 0.000 0.964 508 T CB 1.298 70.162 68.868 -0.007 0.000 0.954 508 T HN 0.203 nan 8.240 nan 0.000 0.438 509 V N 4.267 124.176 119.914 -0.009 0.000 2.448 509 V HA 0.638 4.760 4.120 0.002 0.000 0.295 509 V C 0.470 176.555 176.094 -0.015 0.000 1.025 509 V CA -0.824 61.471 62.300 -0.008 0.000 0.859 509 V CB 1.837 33.657 31.823 -0.005 0.000 0.988 509 V HN 1.071 nan 8.190 nan 0.000 0.431 510 T N 3.656 118.202 114.554 -0.014 0.000 2.945 510 T HA 0.698 5.049 4.350 0.002 0.000 0.286 510 T C -2.807 171.879 174.700 -0.023 0.000 1.025 510 T CA -2.374 59.716 62.100 -0.018 0.000 1.039 510 T CB 1.916 70.778 68.868 -0.011 0.000 1.068 510 T HN 0.380 nan 8.240 nan 0.000 0.497 511 P HA 0.241 nan 4.420 nan 0.000 0.270 511 P C 0.121 177.414 177.300 -0.011 0.000 1.223 511 P CA -0.379 62.702 63.100 -0.033 0.000 0.785 511 P CB 0.573 32.250 31.700 -0.038 0.000 0.923 512 Q N -0.390 119.409 119.800 -0.000 0.000 3.073 512 Q HA 0.247 4.588 4.340 0.002 0.000 0.219 512 Q C 0.429 176.448 176.000 0.032 0.000 1.167 512 Q CA -0.237 55.575 55.803 0.015 0.000 0.334 512 Q CB -0.504 28.242 28.738 0.013 0.000 5.769 512 Q HN 0.539 nan 8.270 nan 0.000 0.319 513 T N -2.129 112.454 114.554 0.050 0.000 2.847 513 T HA 0.177 4.528 4.350 0.002 0.000 0.279 513 T C 0.490 175.237 174.700 0.079 0.000 0.984 513 T CA -0.301 61.835 62.100 0.061 0.000 0.988 513 T CB 0.487 69.398 68.868 0.072 0.000 1.040 513 T HN 0.395 nan 8.240 nan 0.000 0.528 514 N N -0.087 118.656 118.700 0.071 0.000 2.223 514 N HA -0.099 4.642 4.740 0.002 0.000 0.185 514 N C 1.924 177.502 175.510 0.113 0.000 1.016 514 N CA 0.747 53.844 53.050 0.078 0.000 0.863 514 N CB -0.123 38.398 38.487 0.056 0.000 0.983 514 N HN 0.675 nan 8.380 nan 0.000 0.429 515 K N 1.353 121.828 120.400 0.126 0.000 2.057 515 K HA -0.107 4.214 4.320 0.002 0.000 0.207 515 K C 1.795 178.573 176.600 0.295 0.000 1.049 515 K CA 1.105 57.496 56.287 0.174 0.000 0.931 515 K CB -0.023 32.570 32.500 0.156 0.000 0.714 515 K HN 0.138 nan 8.250 nan 0.000 0.440 516 I N 1.253 121.982 120.570 0.265 0.000 2.252 516 I HA -0.254 3.917 4.170 0.002 0.000 0.245 516 I C 2.632 178.934 176.117 0.308 0.000 1.102 516 I CA 0.906 62.345 61.300 0.232 0.000 1.385 516 I CB -0.285 37.770 38.000 0.092 0.000 1.064 516 I HN 0.192 nan 8.210 nan 0.000 0.414 517 K N 1.888 122.426 120.400 0.230 0.000 2.063 517 K HA -0.206 4.115 4.320 0.002 0.000 0.208 517 K C 2.094 178.819 176.600 0.207 0.000 1.048 517 K CA 1.975 58.388 56.287 0.209 0.000 0.928 517 K CB -0.233 32.333 32.500 0.110 0.000 0.713 517 K HN 0.302 nan 8.250 nan 0.000 0.442 518 A N 0.350 123.280 122.820 0.183 0.000 1.933 518 A HA -0.196 4.125 4.320 0.002 0.000 0.218 518 A C 2.155 179.848 177.584 0.183 0.000 1.175 518 A CA 1.468 53.598 52.037 0.154 0.000 0.628 518 A CB -0.873 18.201 19.000 0.124 0.000 0.814 518 A HN 0.548 nan 8.150 nan 0.000 0.444 519 Y N -0.779 119.586 120.300 0.109 0.000 2.128 519 Y HA -0.297 4.254 4.550 0.002 0.000 0.284 519 Y C 2.124 177.992 175.900 -0.053 0.000 1.154 519 Y CA 2.110 60.241 58.100 0.052 0.000 1.149 519 Y CB -0.583 37.944 38.460 0.111 0.000 0.976 519 Y HN 0.372 nan 8.280 nan 0.000 0.505 520 Y N 0.702 121.049 120.300 0.079 0.000 2.274 520 Y HA -0.216 4.335 4.550 0.001 0.000 0.290 520 Y C 2.285 178.150 175.900 -0.058 0.000 1.145 520 Y CA 1.604 59.663 58.100 -0.069 0.000 1.203 520 Y CB -0.600 37.833 38.460 -0.044 0.000 0.984 520 Y HN 0.207 nan 8.280 nan 0.000 0.533 521 D N -0.346 120.124 120.400 0.117 0.000 2.123 521 D HA -0.152 4.489 4.640 0.002 0.000 0.196 521 D C 2.181 178.535 176.300 0.091 0.000 0.992 521 D CA 1.259 55.326 54.000 0.110 0.000 0.833 521 D CB -0.225 40.627 40.800 0.088 0.000 0.954 521 D HN 0.338 nan 8.370 nan 0.000 0.455 522 R N 0.573 121.073 120.500 0.000 0.000 2.066 522 R HA -0.019 4.322 4.340 0.002 0.000 0.232 522 R C 2.176 178.430 176.300 -0.077 0.000 1.131 522 R CA 0.694 56.769 56.100 -0.042 0.000 0.955 522 R CB -0.063 30.199 30.300 -0.064 0.000 0.851 522 R HN 0.095 nan 8.270 nan 0.000 0.432 523 K N 0.293 120.578 120.400 -0.192 0.000 2.113 523 K HA -0.212 4.109 4.320 0.002 0.000 0.208 523 K C 1.968 178.622 176.600 0.090 0.000 1.047 523 K CA 1.326 57.549 56.287 -0.107 0.000 0.928 523 K CB -0.451 31.923 32.500 -0.210 0.000 0.716 523 K HN 0.248 nan 8.250 nan 0.000 0.446 524 Y N 2.021 122.312 120.300 -0.015 0.000 2.293 524 Y HA -0.123 4.428 4.550 0.002 0.000 0.291 524 Y C 2.228 178.228 175.900 0.166 0.000 1.137 524 Y CA 1.195 59.328 58.100 0.055 0.000 1.202 524 Y CB -0.052 38.419 38.460 0.018 0.000 0.990 524 Y HN -0.020 nan 8.280 nan 0.000 0.537 525 R N -1.029 119.519 120.500 0.081 0.000 2.081 525 R HA -0.142 4.199 4.340 0.002 0.000 0.235 525 R C 2.172 178.467 176.300 -0.007 0.000 1.131 525 R CA 1.673 57.770 56.100 -0.005 0.000 0.960 525 R CB -0.656 29.639 30.300 -0.007 0.000 0.856 525 R HN 0.232 nan 8.270 nan 0.000 0.436 526 V N 0.653 120.542 119.914 -0.042 0.000 2.358 526 V HA -0.231 3.890 4.120 0.002 0.000 0.246 526 V C 1.904 177.968 176.094 -0.050 0.000 1.047 526 V CA 1.620 63.841 62.300 -0.132 0.000 1.035 526 V CB -0.547 31.039 31.823 -0.395 0.000 0.658 526 V HN 0.214 nan 8.190 nan 0.000 0.452 527 F N 0.942 120.806 119.950 -0.144 0.000 2.065 527 F HA -0.285 4.243 4.527 0.001 0.000 0.298 527 F C 2.402 178.056 175.800 -0.243 0.000 1.112 527 F CA 2.468 60.367 58.000 -0.167 0.000 1.212 527 F CB -0.414 38.514 39.000 -0.119 0.000 0.975 527 F HN 0.237 nan 8.300 nan 0.000 0.476 528 H N -0.708 118.311 119.070 -0.085 0.000 2.353 528 H HA -0.129 4.428 4.556 0.002 0.000 0.300 528 H C 1.266 176.573 175.328 -0.034 0.000 1.090 528 H CA 1.354 57.304 56.048 -0.162 0.000 1.327 528 H CB -0.445 29.195 29.762 -0.204 0.000 1.383 528 H HN 0.266 nan 8.280 nan 0.000 0.508 532 H N 1.181 120.123 119.070 -0.213 0.000 2.387 532 H HA -0.077 4.481 4.556 0.002 0.000 0.299 532 H C 0.864 175.971 175.328 -0.368 0.000 1.090 532 H CA 1.830 57.692 56.048 -0.310 0.000 1.332 532 H CB -0.058 29.643 29.762 -0.102 0.000 1.386 532 H HN 0.485 nan 8.280 nan 0.000 0.516 533 D N 0.138 120.389 120.400 -0.249 0.000 2.117 533 D HA -0.106 4.536 4.640 0.002 0.000 0.197 533 D C 1.332 177.078 176.300 -0.924 0.000 0.987 533 D CA 0.847 54.540 54.000 -0.512 0.000 0.829 533 D CB -0.545 40.043 40.800 -0.354 0.000 0.961 533 D HN 0.483 nan 8.370 nan 0.000 0.460 537 Y N 2.112 122.317 120.300 -0.158 0.000 2.165 537 Y HA -0.136 4.415 4.550 0.002 0.000 0.286 537 Y C 2.440 178.239 175.900 -0.168 0.000 1.155 537 Y CA 1.889 59.896 58.100 -0.155 0.000 1.164 537 Y CB -0.941 37.413 38.460 -0.177 0.000 0.978 537 Y HN 0.329 nan 8.280 nan 0.000 0.513 538 Q N 0.175 119.910 119.800 -0.107 0.000 2.096 538 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 538 Q C 2.384 178.349 176.000 -0.059 0.000 0.982 538 Q CA 1.803 57.538 55.803 -0.113 0.000 0.850 538 Q CB -0.272 28.358 28.738 -0.179 0.000 0.901 538 Q HN 0.440 nan 8.270 nan 0.000 0.422 539 A N 0.779 123.561 122.820 -0.063 0.000 1.877 539 A HA -0.044 4.277 4.320 0.002 0.000 0.216 539 A C 1.271 178.845 177.584 -0.018 0.000 1.186 539 A CA 0.700 52.714 52.037 -0.038 0.000 0.620 539 A CB -0.678 18.296 19.000 -0.044 0.000 0.822 539 A HN 0.397 nan 8.150 nan 0.000 0.443 542 Q N 0.000 119.794 119.800 -0.010 0.000 2.315 542 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 542 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 542 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 542 Q HN 0.000 nan 8.270 nan 0.000 0.481